data_2m5j_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 2m5j _Structure_validation_residue.Date_analyzed 2016-10-07 loop_ _Residue_analysis_software.Software_ID _Residue_analysis_software.Software_label _Residue_analysis_software.Method_ID _Residue_analysis_software.Method_label _Residue_analysis_software.Entry_ID _Residue_analysis_software.Structure_validation_oneline_list_ID 1 MolProbity . . ? 1 2 CYRANGE . . ? 1 stop_ loop_ _Residue_analysis.ID _Residue_analysis.PDB_model_num _Residue_analysis.Hydrogen_positions _Residue_analysis.MolProbity_flips _Residue_analysis.Cyrange_core_flag _Residue_analysis.Two_letter_chain_ID _Residue_analysis.PDB_strand_ID _Residue_analysis.PDB_residue_no _Residue_analysis.PDB_ins_code _Residue_analysis.PDB_residue_name _Residue_analysis.Assembly_ID _Residue_analysis.Entity_assembly_ID _Residue_analysis.Entity_ID _Residue_analysis.Comp_ID _Residue_analysis.Comp_index_ID _Residue_analysis.Clash_value _Residue_analysis.Clash_source_PDB_atom_name _Residue_analysis.Clash_destination_PDB_atom_name _Residue_analysis.Clash_destination_PDB_strand_ID _Residue_analysis.Clash_destination_PDB_residue_no _Residue_analysis.Clash_destination_PDB_ins_code _Residue_analysis.Clash_destination_PDB_residue_name _Residue_analysis.Cbeta_deviation_value _Residue_analysis.Rotamer_score _Residue_analysis.Rotamer_name _Residue_analysis.Ramachandran_phi _Residue_analysis.Ramachandran_psi _Residue_analysis.Ramachandran_score _Residue_analysis.Ramachandran_evaluation _Residue_analysis.Ramachandran_type _Residue_analysis.Bond_outlier_count _Residue_analysis.Worst_bond _Residue_analysis.Worst_bond_value _Residue_analysis.Worst_bond_sigma _Residue_analysis.Angle_outlier_count _Residue_analysis.Worst_angle _Residue_analysis.Worst_angle_value _Residue_analysis.Worst_angle_sigma _Residue_analysis.RNA_phosphate_perpendicular_outlier _Residue_analysis.RNA_suitness_score _Residue_analysis.RNA_suite_conformer _Residue_analysis.RNA_suite_triage _Residue_analysis.Max_b_factor _Residue_analysis.Tau_angle _Residue_analysis.Omega_dihedral _Residue_analysis.Disulfide_chi1 _Residue_analysis.Disulfide_chi2 _Residue_analysis.Disulfide_chi3 _Residue_analysis.Disulfide_ss_angle _Residue_analysis.Disulfide_ss _Residue_analysis.Disulfide_ss_angle_prime _Residue_analysis.Disulfide_chi2prime _Residue_analysis.Disulfide_chi1prime _Residue_analysis.Outlier_count_separate_geometry _Residue_analysis.Outlier_count _Residue_analysis.Entry_ID _Residue_analysis.Structure_validation_residue_list_ID . 001 nuclear orig core ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 8.8 tt0 . . . . . 0 C--O 1.233 0.208 0 CA-C-O 120.639 0.257 . . . . 0.0 110.548 . . . . . . . . . 0 0 . 1 . 001 nuclear orig core ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 77.2 mt-30 -81.43 118.0 22.33 Favored 'General case' 0 C--N 1.324 -0.527 0 CA-C-N 116.395 -0.366 . . . . 0.0 110.077 178.016 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 14' ' ' LYS . . . . . 0.445 ' O ' ' HA ' ' A' ' 56' ' ' SER . 14.1 mmmm -109.63 132.73 53.87 Favored 'General case' 0 C--N 1.321 -0.632 0 N-CA-C 109.498 -0.556 . . . . 0.0 109.498 177.166 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 15' ' ' ASN . . . . . 0.421 ' HA ' ' HA ' ' A' ' 56' ' ' SER . 26.4 t-20 -80.35 108.51 14.03 Favored 'General case' 0 C--N 1.319 -0.731 0 CA-C-O 121.061 0.458 . . . . 0.0 110.111 -179.615 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 16' ' ' PHE . . . . . . . . . . . . . 76.9 m-85 -99.7 146.5 26.45 Favored 'General case' 0 C--N 1.322 -0.591 0 CA-C-N 115.785 -0.643 . . . . 0.0 111.064 -177.939 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 8.1 t30 -135.28 89.07 2.47 Favored 'General case' 0 C--N 1.32 -0.716 0 N-CA-C 108.511 -0.922 . . . . 0.0 108.511 178.137 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 18' ' ' ILE . . . . . 0.517 ' HB ' ' HB3' ' A' ' 53' ' ' LEU . 31.2 mm -112.06 106.44 20.77 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.753 0 CA-C-N 115.938 -0.574 . . . . 0.0 109.96 -176.147 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -63.07 143.63 57.61 Favored 'General case' 0 C--N 1.325 -0.481 0 N-CA-C 108.791 -0.818 . . . . 0.0 108.791 173.12 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -66.38 100.08 0.61 Allowed 'General case' 0 N--CA 1.455 -0.22 0 CA-C-O 121.696 0.76 . . . . 0.0 110.443 -174.624 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 21' ' ' GLN . . . . . . . . . . . . . 44.2 mt-30 -107.7 170.11 5.94 Favored Pre-proline 0 C--N 1.318 -0.771 0 CA-C-N 114.579 -1.191 . . . . 0.0 109.981 176.349 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 22' ' ' PRO . . . . . . . . . . . . . 52.7 Cg_exo -56.98 135.71 72.42 Favored 'Trans proline' 0 N--CA 1.461 -0.388 0 C-N-CA 121.839 1.693 . . . . 0.0 109.44 166.006 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -55.59 -25.71 39.91 Favored 'General case' 0 N--CA 1.466 0.329 0 O-C-N 123.429 0.456 . . . . 0.0 112.039 -170.108 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 66.7 mt-30 -66.12 -52.54 47.6 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-O 121.02 0.438 . . . . 0.0 110.269 177.052 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 15.1 m -76.43 -27.29 56.17 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 115.989 -0.55 . . . . 0.0 110.742 -179.004 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -56.54 -55.06 38.58 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.01 -0.541 . . . . 0.0 110.941 178.461 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 27' ' ' MET . . . . . 0.44 ' CB ' ' HB ' ' A' ' 38' ' ' VAL . 23.5 mmt -75.6 -18.94 59.56 Favored 'General case' 0 C--N 1.325 -0.499 0 CA-C-N 115.986 -0.552 . . . . 0.0 110.796 -178.719 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 9.4 tt -65.16 -36.77 85.28 Favored 'General case' 0 C--N 1.318 -0.787 0 N-CA-C 109.276 -0.639 . . . . 0.0 109.276 173.674 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 12.4 mmm180 -85.42 -31.23 22.99 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.566 -179.569 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 12.2 t80 -80.64 -56.83 3.89 Favored 'General case' 0 C--N 1.322 -0.589 0 CA-C-O 121.378 0.608 . . . . 0.0 111.365 178.079 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -72.09 -17.22 62.01 Favored 'General case' 0 C--N 1.321 -0.639 0 CA-C-N 115.902 -0.59 . . . . 0.0 111.872 -170.158 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 10.0 pt-20 -59.95 -28.32 67.54 Favored 'General case' 0 N--CA 1.464 0.256 0 CA-C-O 121.052 0.453 . . . . 0.0 110.499 174.163 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 33' ' ' GLN . . . . . . . . . . . . . 94.9 mt-30 -90.19 -17.94 26.65 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 121.084 0.468 . . . . 0.0 110.514 178.288 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -97.93 -6.81 31.43 Favored 'General case' 0 C--N 1.326 -0.45 0 CA-C-N 115.797 -0.638 . . . . 0.0 111.775 -178.528 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 79.61 31.59 40.28 Favored Glycine 0 C--N 1.329 0.155 0 C-N-CA 121.07 -0.586 . . . . 0.0 112.674 178.215 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 36' ' ' MET . . . . . . . . . . . . . 70.9 mtm -141.82 175.68 9.52 Favored 'General case' 0 C--N 1.324 -0.508 0 CA-C-O 120.738 0.304 . . . . 0.0 110.332 -177.266 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 37' ' ' GLN . . . . . . . . . . . . . 26.2 tt0 -141.73 154.76 45.5 Favored 'General case' 0 C--N 1.323 -0.567 0 N-CA-C 108.893 -0.78 . . . . 0.0 108.893 171.305 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 38' ' ' VAL . . . . . 0.44 ' HB ' ' CB ' ' A' ' 27' ' ' MET . 7.7 p -78.46 132.18 32.9 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.434 0 CA-C-O 120.978 0.418 . . . . 0.0 110.777 179.973 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 39' ' ' PHE . . . . . . . . . . . . . 59.2 t80 -110.16 120.24 41.81 Favored 'General case' 0 C--N 1.325 -0.487 0 CA-C-N 115.934 -0.575 . . . . 0.0 109.74 179.264 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 40' ' ' PHE . . . . . . . . . . . . . 19.1 p90 -134.27 117.81 16.86 Favored 'General case' 0 C--N 1.32 -0.681 0 CA-C-N 115.81 -0.632 . . . . 0.0 110.202 -178.551 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 32.9 t70 -121.42 -61.23 1.55 Allowed 'General case' 0 C--N 1.323 -0.57 0 C-N-CA 120.839 -0.345 . . . . 0.0 110.666 179.767 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 50.9 mt-10 -116.22 86.78 2.55 Favored 'General case' 0 C--N 1.322 -0.609 0 CA-C-O 121.212 0.53 . . . . 0.0 110.127 177.421 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 43' ' ' VAL . . . . . . . . . . . . . 15.5 m -147.33 -166.8 0.16 Allowed 'Isoleucine or valine' 0 C--N 1.322 -0.63 0 CA-C-N 115.053 -0.976 . . . . 0.0 108.722 179.235 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 37.7 ttpt -67.24 133.33 49.52 Favored 'General case' 0 C--N 1.322 -0.616 0 CA-C-O 121.501 0.667 . . . . 0.0 110.097 174.705 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 3.3 mm? -71.37 167.47 19.47 Favored 'General case' 0 N--CA 1.442 -0.854 0 CA-C-N 114.796 -1.093 . . . . 0.0 111.065 -175.495 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 26.6 t70 -36.16 136.63 0.29 Allowed 'General case' 0 C--N 1.32 -0.709 0 CA-C-N 114.214 -1.357 . . . . 0.0 112.425 -177.663 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 123.33 -4.51 9.51 Favored Glycine 0 N--CA 1.444 -0.818 0 N-CA-C 110.753 -0.939 . . . . 0.0 110.753 -173.281 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 48' ' ' MET . . . . . . . . . . . . . 14.2 tpt -87.63 121.33 29.93 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-O 120.861 0.362 . . . . 0.0 110.366 178.395 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 76.9 mt-30 -112.58 155.36 24.5 Favored 'General case' 0 C--N 1.321 -0.664 0 CA-C-N 116.077 -0.51 . . . . 0.0 110.275 179.257 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -88.11 168.73 12.54 Favored 'General case' 0 C--N 1.321 -0.641 0 CA-C-N 116.034 -0.53 . . . . 0.0 109.975 178.438 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -79.49 156.83 27.64 Favored 'General case' 0 C--N 1.323 -0.568 0 CA-C-N 116.457 -0.338 . . . . 0.0 110.705 -179.854 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -69.52 89.42 0.52 Allowed 'General case' 0 C--N 1.328 -0.334 0 CA-C-O 121.282 0.563 . . . . 0.0 109.7 175.814 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 53' ' ' LEU . . . . . 0.517 ' HB3' ' HB ' ' A' ' 18' ' ' ILE . 1.0 OUTLIER -76.42 123.69 26.38 Favored 'General case' 0 C--N 1.32 -0.707 0 CA-C-N 115.181 -0.918 . . . . 0.0 110.993 -172.075 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 54' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER -150.71 98.42 2.62 Favored 'General case' 0 C--N 1.324 -0.527 0 CA-C-N 115.858 -0.61 . . . . 0.0 109.881 172.668 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . 178.56 161.21 26.02 Favored Glycine 0 N--CA 1.448 -0.534 0 C-N-CA 120.434 -0.889 . . . . 0.0 112.618 -179.069 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 56' ' ' SER . . . . . 0.445 ' HA ' ' O ' ' A' ' 14' ' ' LYS . 38.8 m -94.07 100.81 12.86 Favored 'General case' 0 C--N 1.325 -0.489 0 CA-C-O 121.103 0.478 . . . . 0.0 110.194 176.762 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 57' ' ' MET . . . . . . . . . . . . . 54.6 mtm -134.07 170.9 14.96 Favored 'General case' 0 C--N 1.325 -0.476 0 CA-C-N 115.691 -0.686 . . . . 0.0 111.247 -177.042 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 15.0 m -102.0 -179.55 4.03 Favored 'General case' 0 C--N 1.322 -0.617 0 CA-C-N 115.644 -0.707 . . . . 0.0 109.127 173.291 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 59' ' ' VAL . . . . . 0.602 ' O ' HD23 ' A' ' 63' ' ' LEU . 12.1 p -54.99 -48.16 75.97 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.258 0 CA-C-O 120.777 0.322 . . . . 0.0 111.554 -177.043 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 60' ' ' GLU . . . . . 0.454 ' O ' ' HG3' ' A' ' 64' ' ' ARG . 44.5 mt-10 -62.97 -53.47 53.51 Favored 'General case' 0 C--N 1.316 -0.857 0 CA-C-O 120.835 0.35 . . . . 0.0 111.342 -179.551 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 61' ' ' GLN . . . . . . . . . . . . . 58.8 mt-30 -63.56 -50.2 70.42 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-N 116.051 -0.522 . . . . 0.0 111.576 -176.877 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . -57.23 -51.25 58.65 Favored Glycine 0 N--CA 1.449 -0.446 0 CA-C-N 115.975 -0.557 . . . . 0.0 112.856 -178.365 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 63' ' ' LEU . . . . . 0.602 HD23 ' O ' ' A' ' 59' ' ' VAL . 4.0 mm? -54.67 -43.55 72.53 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-O 120.564 0.221 . . . . 0.0 111.475 -178.725 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 64' ' ' ARG . . . . . 0.454 ' HG3' ' O ' ' A' ' 60' ' ' GLU . 19.9 mtp180 -55.77 -46.85 77.82 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 115.979 -0.555 . . . . 0.0 111.731 -176.971 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 65' ' ' ARG . . . . . . . . . . . . . 76.5 ttt180 -80.8 -28.38 36.29 Favored 'General case' 0 C--N 1.324 -0.525 0 CA-C-O 121.129 0.49 . . . . 0.0 110.596 179.878 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 66' ' ' LEU . . . . . 0.45 HD11 ' HB2' ' A' ' 53' ' ' LEU . 18.1 tp -74.68 -45.64 43.17 Favored 'General case' 0 C--N 1.325 -0.457 0 CA-C-N 115.817 -0.628 . . . . 0.0 111.789 -174.434 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 67' ' ' ILE . . . . . . . . . . . . . 40.1 mt -78.83 -64.94 0.82 Allowed 'Isoleucine or valine' 0 C--N 1.333 -0.152 0 N-CA-C 112.313 0.486 . . . . 0.0 112.313 -175.128 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 68' ' ' GLY . . . . . 0.472 ' C ' ' H ' ' A' ' 70' ' ' ASN . . . -115.4 -62.29 0.37 Allowed Glycine 0 N--CA 1.444 -0.795 0 C-N-CA 119.421 -1.371 . . . . 0.0 114.548 -171.638 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . 82.91 -23.02 6.15 Favored Glycine 0 N--CA 1.45 -0.37 0 N-CA-C 109.836 -1.305 . . . . 0.0 109.836 -163.226 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 70' ' ' ASN . . . . . 0.472 ' H ' ' C ' ' A' ' 68' ' ' GLY . 2.6 p-10 -102.43 157.73 33.15 Favored Pre-proline 0 C--N 1.328 -0.369 0 C-N-CA 123.732 0.813 . . . . 0.0 109.2 171.57 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 71' ' ' PRO . . . . . . . . . . . . . 23.4 Cg_exo -64.35 98.15 0.27 Allowed 'Trans proline' 0 C--N 1.346 0.424 0 C-N-CA 122.814 2.343 . . . . 0.0 113.724 -174.038 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 72' ' ' VAL . . . . . . . . . . . . . 31.9 t -140.4 149.65 21.5 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 N-CA-C 106.928 -1.508 . . . . 0.0 106.928 171.251 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -104.86 130.69 52.94 Favored 'General case' 0 C--N 1.321 -0.637 0 CA-C-N 118.698 0.681 . . . . 0.0 111.98 -170.497 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 74' ' ' PHE . . . . . . . . . . . . . 11.7 p90 -113.92 126.17 54.86 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.159 -0.473 . . . . 0.0 109.993 176.528 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 75' ' ' ARG . . . . . . . . . . . . . 79.8 ttt180 -100.45 119.26 38.2 Favored 'General case' 0 C--N 1.322 -0.594 0 CA-C-N 116.311 -0.404 . . . . 0.0 110.239 178.615 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 76' ' ' LEU . . . . . . . . . . . . . 84.3 mt -87.78 118.78 27.53 Favored 'General case' 0 C--N 1.322 -0.601 0 CA-C-N 116.012 -0.54 . . . . 0.0 111.161 -177.885 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 77' ' ' GLN . . . . . . . . . . . . . 38.9 mt-30 -116.43 98.67 51.91 Favored Pre-proline 0 C--N 1.318 -0.777 0 N-CA-C 108.451 -0.944 . . . . 0.0 108.451 172.041 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 78' ' ' PRO . . . . . . . . . . . . . 54.5 Cg_exo -52.29 -33.26 54.69 Favored 'Trans proline' 0 C--N 1.345 0.367 0 C-N-CA 123.327 2.685 . . . . 0.0 113.376 -174.07 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 79' ' ' GLN . . . . . . . . . . . . . 45.2 mt-30 -106.2 12.9 29.6 Favored 'General case' 0 C--N 1.324 -0.526 0 CA-C-N 116.541 -0.3 . . . . 0.0 110.846 -177.713 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . -140.08 -110.57 0.88 Allowed Glycine 0 N--CA 1.442 -0.915 0 C-N-CA 120.288 -0.958 . . . . 0.0 113.076 -178.126 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 81' ' ' GLN . . . . . . . . . . . . . 48.7 mt-30 -138.9 158.63 43.85 Favored 'General case' 0 C--N 1.322 -0.627 0 CA-C-O 121.226 0.536 . . . . 0.0 111.463 -172.493 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 82' ' ' ILE . . . . . . . . . . . . . 54.8 mt -90.12 99.91 10.18 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.562 0 CA-C-N 115.432 -0.803 . . . . 0.0 109.174 175.992 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 83' ' ' VAL . . . . . . . . . . . . . 93.4 t -85.06 116.63 28.86 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.605 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.738 -176.855 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 84' ' ' LEU . . . . . . . . . . . . . 21.4 tp -89.6 130.02 35.97 Favored 'General case' 0 C--N 1.323 -0.55 0 N-CA-C 109.621 -0.511 . . . . 0.0 109.621 176.315 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 85' ' ' SER . . . . . . . . . . . . . 6.7 p -141.06 154.12 45.81 Favored 'General case' 0 C--N 1.321 -0.671 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.558 -177.879 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 86' ' ' ARG . . . . . . . . . . . . . 1.4 tmm_? -95.05 101.05 12.79 Favored 'General case' 0 C--N 1.324 -0.534 0 N-CA-C 109.287 -0.634 . . . . 0.0 109.287 179.872 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 87' ' ' LEU . . . . . . . . . . . . . 11.0 mp . . . . . 0 C--N 1.318 -0.782 0 CA-C-N 115.891 -0.595 . . . . 0.0 109.474 175.532 . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 13.9 pt20 . . . . . 0 N--CA 1.452 -0.342 0 N-CA-C 109.985 -0.376 . . . . 0.0 109.985 . . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 48.5 mt-30 -125.65 141.08 52.21 Favored 'General case' 0 C--N 1.319 -0.75 0 CA-C-N 116.353 -0.385 . . . . 0.0 110.646 -177.577 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 14' ' ' LYS . . . . . 0.447 ' HB2' ' CZ ' ' A' ' 16' ' ' PHE . 35.4 mmtp -123.3 159.21 29.28 Favored 'General case' 0 C--N 1.322 -0.622 0 CA-C-N 115.823 -0.626 . . . . 0.0 110.011 179.23 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 15' ' ' ASN . . . . . . . . . . . . . 48.6 t-20 -89.82 101.87 14.57 Favored 'General case' 0 C--N 1.321 -0.642 0 CA-C-N 115.975 -0.557 . . . . 0.0 109.729 -179.73 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 16' ' ' PHE . . . . . 0.447 ' CZ ' ' HB2' ' A' ' 14' ' ' LYS . 47.4 m-85 -99.54 131.27 45.65 Favored 'General case' 0 C--N 1.324 -0.527 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.471 -177.452 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 61.1 t30 -139.37 89.89 2.37 Favored 'General case' 0 C--N 1.32 -0.717 0 CA-C-N 115.988 -0.551 . . . . 0.0 109.598 178.348 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 18' ' ' ILE . . . . . 0.451 ' HB ' ' HB3' ' A' ' 53' ' ' LEU . 8.9 mm -112.71 122.4 66.81 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.657 0 CA-C-N 116.076 -0.511 . . . . 0.0 110.606 -174.321 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -79.39 146.44 32.83 Favored 'General case' 0 C--N 1.323 -0.553 0 N-CA-C 108.016 -1.105 . . . . 0.0 108.016 169.138 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -64.76 102.03 0.54 Allowed 'General case' 0 C--N 1.33 -0.242 0 CA-C-O 121.543 0.687 . . . . 0.0 110.91 -173.643 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 21' ' ' GLN . . . . . . . . . . . . . 35.2 mt-30 -106.84 169.87 6.33 Favored Pre-proline 0 C--N 1.319 -0.747 0 CA-C-N 114.635 -1.166 . . . . 0.0 109.729 176.412 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 22' ' ' PRO . . . . . . . . . . . . . 41.5 Cg_exo -57.26 136.52 76.83 Favored 'Trans proline' 0 N--CA 1.462 -0.366 0 C-N-CA 121.696 1.598 . . . . 0.0 110.001 168.202 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -51.89 -42.86 63.02 Favored 'General case' 0 C--N 1.328 -0.352 0 N-CA-C 112.598 0.592 . . . . 0.0 112.598 -167.248 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 24' ' ' GLN . . . . . 0.426 ' HA ' HG22 ' A' ' 38' ' ' VAL . 97.8 mt-30 -60.13 -42.16 94.19 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.934 0.397 . . . . 0.0 111.124 179.448 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 25' ' ' SER . . . . . 0.475 ' O ' ' HG2' ' A' ' 29' ' ' ARG . 38.0 t -79.47 -29.24 41.64 Favored 'General case' 0 C--N 1.325 -0.475 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.712 -178.704 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -60.29 -54.57 44.13 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.003 -179.412 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 27' ' ' MET . . . . . 0.571 ' HB2' ' CG2' ' A' ' 38' ' ' VAL . 63.3 mtt -67.31 -30.71 70.63 Favored 'General case' 0 C--O 1.215 -0.722 0 CA-C-N 116.071 -0.513 . . . . 0.0 110.475 179.335 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 53.7 tp -58.2 -30.45 66.47 Favored 'General case' 0 C--N 1.321 -0.641 0 CA-C-O 120.953 0.406 . . . . 0.0 110.486 178.053 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 29' ' ' ARG . . . . . 0.475 ' HG2' ' O ' ' A' ' 25' ' ' SER . 26.4 mmt180 -76.6 -51.56 11.38 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-O 120.914 0.388 . . . . 0.0 111.117 179.286 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 0.4 OUTLIER -80.08 -50.24 10.61 Favored 'General case' 0 C--N 1.326 -0.449 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.813 -176.275 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 31' ' ' ALA . . . . . 0.4 ' HB1' ' HB2' ' A' ' 36' ' ' MET . . . -67.56 -29.9 69.4 Favored 'General case' 0 C--N 1.322 -0.622 0 CA-C-N 116.2 -0.454 . . . . 0.0 111.778 -171.503 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 16.2 mm-40 -60.82 -29.42 69.47 Favored 'General case' 0 N--CA 1.466 0.344 0 C-N-CA 120.426 -0.51 . . . . 0.0 111.314 176.773 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 33' ' ' GLN . . . . . . . . . . . . . 28.2 mt-30 -70.31 -30.33 67.3 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-O 121.049 0.452 . . . . 0.0 110.344 176.187 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -94.57 -5.63 45.45 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 115.977 -0.556 . . . . 0.0 111.27 180.0 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 84.67 38.17 9.85 Favored Glycine 0 N--CA 1.45 -0.379 0 C-N-CA 121.126 -0.559 . . . . 0.0 112.864 178.766 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 36' ' ' MET . . . . . 0.4 ' HB2' ' HB1' ' A' ' 31' ' ' ALA . 73.9 mtm -136.74 163.56 30.32 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-N 116.966 0.383 . . . . 0.0 110.894 -179.986 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 37' ' ' GLN . . . . . . . . . . . . . 41.9 mt-30 -146.43 161.8 39.62 Favored 'General case' 0 C--N 1.326 -0.428 0 CA-C-N 116.06 -0.518 . . . . 0.0 110.655 179.566 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 38' ' ' VAL . . . . . 0.571 ' CG2' ' HB2' ' A' ' 27' ' ' MET . 17.7 t -77.55 134.42 28.52 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.424 0 CA-C-N 115.688 -0.687 . . . . 0.0 110.224 -179.026 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 39' ' ' PHE . . . . . . . . . . . . . 70.1 t80 -136.09 118.16 15.4 Favored 'General case' 0 C--N 1.323 -0.548 0 CA-C-O 120.932 0.396 . . . . 0.0 111.148 -178.788 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 40' ' ' PHE . . . . . . . . . . . . . 59.7 m-85 -130.15 146.3 51.78 Favored 'General case' 0 C--N 1.321 -0.658 0 CA-C-N 115.763 -0.653 . . . . 0.0 109.768 173.305 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 6.8 p-10 -93.49 -162.01 0.9 Allowed 'General case' 0 C--N 1.323 -0.584 0 N-CA-C 109.076 -0.712 . . . . 0.0 109.076 174.597 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 31.5 mm-40 -68.2 89.19 0.31 Allowed 'General case' 0 C--N 1.324 -0.52 0 CA-C-O 121.33 0.586 . . . . 0.0 111.21 -179.634 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 43' ' ' VAL . . . . . . . . . . . . . 36.0 m -128.44 161.38 37.23 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.528 0 CA-C-N 115.552 -0.749 . . . . 0.0 110.178 179.491 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 29.3 ttpp -98.36 89.59 4.51 Favored 'General case' 0 C--N 1.324 -0.532 0 CA-C-O 121.073 0.463 . . . . 0.0 110.208 -179.8 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 58.0 tp -144.56 114.28 7.23 Favored 'General case' 0 C--N 1.325 -0.493 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.297 -178.337 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 36.1 m-20 -130.44 151.9 50.42 Favored 'General case' 0 C--N 1.325 -0.466 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.314 -178.485 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 70.51 22.84 77.9 Favored Glycine 0 N--CA 1.452 -0.29 0 C-N-CA 120.972 -0.632 . . . . 0.0 113.319 174.085 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 48' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -85.25 123.05 30.3 Favored 'General case' 0 C--N 1.324 -0.543 0 CA-C-O 121.144 0.497 . . . . 0.0 110.546 179.756 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 20.6 pt20 -127.63 168.6 14.8 Favored 'General case' 0 C--N 1.325 -0.477 0 CA-C-N 116.011 -0.54 . . . . 0.0 110.219 -179.867 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -88.39 156.42 19.15 Favored 'General case' 0 C--N 1.321 -0.635 0 CA-C-N 116.015 -0.539 . . . . 0.0 110.807 -179.325 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -88.68 173.49 8.57 Favored 'General case' 0 C--N 1.323 -0.574 0 CA-C-N 115.829 -0.623 . . . . 0.0 110.604 179.637 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -65.92 120.67 13.51 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.945 179.621 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 53' ' ' LEU . . . . . 0.451 ' HB3' ' HB ' ' A' ' 18' ' ' ILE . 1.2 tm? -130.06 111.6 12.64 Favored 'General case' 0 C--N 1.326 -0.444 0 CA-C-N 116.317 -0.402 . . . . 0.0 110.626 -174.572 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 54' ' ' ASN . . . . . . . . . . . . . 27.6 t-20 -151.53 102.07 2.85 Favored 'General case' 0 C--N 1.324 -0.504 0 CA-C-N 116.11 -0.496 . . . . 0.0 109.895 174.204 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . 179.02 165.81 33.95 Favored Glycine 0 N--CA 1.449 -0.493 0 C-N-CA 120.626 -0.797 . . . . 0.0 112.45 -179.111 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 56' ' ' SER . . . . . 0.434 ' HA ' ' O ' ' A' ' 14' ' ' LYS . 10.1 p -107.13 116.91 32.75 Favored 'General case' 0 C--N 1.324 -0.523 0 CA-C-O 120.962 0.411 . . . . 0.0 110.043 176.729 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 57' ' ' MET . . . . . 0.421 ' HE3' ' HA2' ' A' ' 62' ' ' GLY . 11.0 ptt? -164.96 -173.12 2.81 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-N 116.058 -0.519 . . . . 0.0 110.866 -173.344 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 18.9 m -90.46 172.17 8.91 Favored 'General case' 0 C--N 1.325 -0.473 0 CA-C-N 116.636 -0.256 . . . . 0.0 111.25 -177.022 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 59' ' ' VAL . . . . . 0.495 ' O ' HD21 ' A' ' 63' ' ' LEU . 24.5 t -54.48 -50.47 57.98 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.265 0 CA-C-O 120.675 0.274 . . . . 0.0 110.602 178.96 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 60' ' ' GLU . . . . . 0.454 ' O ' ' HG3' ' A' ' 64' ' ' ARG . 53.0 mt-10 -52.99 -52.67 57.56 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-N 115.931 -0.577 . . . . 0.0 110.964 -179.725 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 61' ' ' GLN . . . . . . . . . . . . . 17.7 mt-30 -65.3 -37.05 85.96 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.32 -0.4 . . . . 0.0 111.276 -178.465 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 62' ' ' GLY . . . . . 0.421 ' HA2' ' HE3' ' A' ' 57' ' ' MET . . . -62.33 -54.67 32.65 Favored Glycine 0 N--CA 1.446 -0.646 0 C-N-CA 121.199 -0.524 . . . . 0.0 112.43 -177.822 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 63' ' ' LEU . . . . . 0.495 HD21 ' O ' ' A' ' 59' ' ' VAL . 3.9 mm? -64.14 -25.8 68.25 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-O 120.837 0.351 . . . . 0.0 110.825 -178.523 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 64' ' ' ARG . . . . . 0.454 ' HG3' ' O ' ' A' ' 60' ' ' GLU . 78.2 mtt180 -62.62 -51.21 68.18 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 116.222 -0.445 . . . . 0.0 111.424 178.966 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 65' ' ' ARG . . . . . . . . . . . . . 71.2 mtp180 -80.29 -16.06 55.52 Favored 'General case' 0 C--N 1.323 -0.56 0 CA-C-N 116.229 -0.442 . . . . 0.0 111.436 -179.792 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 48.4 tp -89.95 -39.46 12.98 Favored 'General case' 0 C--N 1.323 -0.565 0 N-CA-C 112.659 0.614 . . . . 0.0 112.659 -172.111 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 67' ' ' ILE . . . . . 0.452 HD11 HD12 ' A' ' 63' ' ' LEU . 65.5 mt -88.69 -65.44 0.96 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 N-CA-C 113.17 0.804 . . . . 0.0 113.17 -170.524 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . -114.86 -62.15 0.39 Allowed Glycine 0 N--CA 1.447 -0.601 0 C-N-CA 119.519 -1.324 . . . . 0.0 114.691 -169.789 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . 85.6 -21.95 12.55 Favored Glycine 0 N--CA 1.451 -0.348 0 N-CA-C 110.388 -1.085 . . . . 0.0 110.388 -166.405 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 70' ' ' ASN . . . . . 0.406 ' HB2' ' HD2' ' A' ' 71' ' ' PRO . 7.2 p30 -102.66 158.23 32.17 Favored Pre-proline 0 C--N 1.327 -0.398 0 N-CA-C 108.769 -0.826 . . . . 0.0 108.769 170.612 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 71' ' ' PRO . . . . . 0.406 ' HD2' ' HB2' ' A' ' 70' ' ' ASN . 19.7 Cg_endo -58.44 99.29 0.1 Allowed 'Trans proline' 0 C--N 1.349 0.559 0 C-N-CA 122.843 2.362 . . . . 0.0 113.461 -177.607 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 72' ' ' VAL . . . . . . . . . . . . . 9.5 p -150.91 135.81 10.01 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 CA-C-N 115.46 -0.791 . . . . 0.0 109.274 174.775 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -97.76 136.11 38.57 Favored 'General case' 0 C--N 1.322 -0.602 0 CA-C-O 120.808 0.337 . . . . 0.0 111.782 -168.573 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 74' ' ' PHE . . . . . . . . . . . . . 10.0 p90 -107.72 119.55 39.75 Favored 'General case' 0 C--N 1.324 -0.508 0 CA-C-N 115.944 -0.571 . . . . 0.0 109.913 177.382 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 75' ' ' ARG . . . . . . . . . . . . . 79.9 mtm180 -101.7 110.38 22.36 Favored 'General case' 0 C--N 1.32 -0.705 0 CA-C-N 116.017 -0.538 . . . . 0.0 110.651 -178.185 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 76' ' ' LEU . . . . . . . . . . . . . 81.6 mt -85.34 100.37 11.77 Favored 'General case' 0 C--N 1.326 -0.449 0 CA-C-N 115.65 -0.705 . . . . 0.0 110.146 -179.503 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 77' ' ' GLN . . . . . . . . . . . . . 84.8 mm-40 -89.64 140.88 28.18 Favored Pre-proline 0 C--N 1.322 -0.607 0 CA-C-N 115.934 -0.575 . . . . 0.0 110.808 -177.518 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 78' ' ' PRO . . . . . . . . . . . . . 49.4 Cg_endo -68.65 -0.51 6.12 Favored 'Trans proline' 0 C--N 1.347 0.456 0 C-N-CA 123.162 2.575 . . . . 0.0 112.557 -178.389 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 79' ' ' GLN . . . . . . . . . . . . . 14.1 mm100 -81.62 -2.61 50.82 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.061 -0.518 . . . . 0.0 110.128 176.383 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . 85.08 36.88 10.51 Favored Glycine 0 N--CA 1.445 -0.705 0 N-CA-C 110.994 -0.842 . . . . 0.0 110.994 -175.175 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 81' ' ' GLN . . . . . . . . . . . . . 78.2 mt-30 -128.72 129.51 45.85 Favored 'General case' 0 C--N 1.325 -0.457 0 CA-C-O 120.677 0.275 . . . . 0.0 111.2 -175.364 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 82' ' ' ILE . . . . . . . . . . . . . 45.8 mt -102.23 99.55 8.62 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.579 0 N-CA-C 108.746 -0.835 . . . . 0.0 108.746 170.963 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 83' ' ' VAL . . . . . . . . . . . . . 41.0 t -99.24 120.61 48.83 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.592 0 CA-C-N 116.024 -0.535 . . . . 0.0 110.387 -176.435 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 84' ' ' LEU . . . . . . . . . . . . . 19.8 tp -89.82 146.35 24.51 Favored 'General case' 0 C--N 1.322 -0.61 0 CA-C-N 116.321 -0.4 . . . . 0.0 110.226 179.915 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 85' ' ' SER . . . . . . . . . . . . . 3.6 p -156.27 128.7 7.64 Favored 'General case' 0 C--N 1.322 -0.592 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.63 -179.571 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 86' ' ' ARG . . . . . . . . . . . . . 80.0 mtt-85 -82.53 77.44 9.3 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-O 121.159 0.504 . . . . 0.0 111.436 -178.153 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 87' ' ' LEU . . . . . . . . . . . . . 11.2 mp . . . . . 0 C--N 1.323 -0.548 0 CA-C-N 115.636 -0.711 . . . . 0.0 109.783 174.168 . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 52.1 tt0 . . . . . 0 N--CA 1.452 -0.342 0 N-CA-C 110.065 -0.346 . . . . 0.0 110.065 . . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 15.7 mm100 -113.82 99.17 7.49 Favored 'General case' 0 C--N 1.323 -0.544 0 CA-C-O 120.864 0.364 . . . . 0.0 110.2 179.393 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 14' ' ' LYS . . . . . 0.566 ' O ' ' HA ' ' A' ' 56' ' ' SER . 33.8 mmtp -110.47 147.15 34.67 Favored 'General case' 0 C--N 1.322 -0.619 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.612 -178.997 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 15' ' ' ASN . . . . . . . . . . . . . 52.6 t30 -84.33 109.64 17.98 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-N 115.819 -0.628 . . . . 0.0 110.052 -178.377 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 16' ' ' PHE . . . . . 0.546 ' O ' ' HA ' ' A' ' 54' ' ' ASN . 23.9 m-85 -99.73 130.14 45.92 Favored 'General case' 0 C--N 1.32 -0.699 0 CA-C-N 116.405 -0.361 . . . . 0.0 110.248 -178.249 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 13.5 m120 -124.26 89.93 3.17 Favored 'General case' 0 C--N 1.324 -0.537 0 N-CA-C 109.228 -0.656 . . . . 0.0 109.228 -179.928 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 18' ' ' ILE . . . . . 0.406 HG22 HD12 ' A' ' 66' ' ' LEU . 12.2 mm -118.58 113.36 41.56 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.6 0 CA-C-N 116.321 -0.399 . . . . 0.0 111.188 -174.634 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -78.31 161.77 26.98 Favored 'General case' 0 C--N 1.324 -0.528 0 N-CA-C 108.765 -0.828 . . . . 0.0 108.765 170.407 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -68.12 101.66 1.19 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 121.48 0.657 . . . . 0.0 110.465 -177.253 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 21' ' ' GLN . . . . . . . . . . . . . 71.2 mt-30 -106.92 172.51 3.79 Favored Pre-proline 0 C--N 1.32 -0.708 0 CA-C-N 114.851 -1.068 . . . . 0.0 110.092 176.237 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 22' ' ' PRO . . . . . . . . . . . . . 22.6 Cg_exo -66.17 143.71 72.36 Favored 'Trans proline' 0 N--CA 1.459 -0.516 0 C-N-CA 121.83 1.686 . . . . 0.0 109.808 164.459 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -49.19 -45.32 44.05 Favored 'General case' 0 C--N 1.327 -0.406 0 N-CA-C 112.657 0.614 . . . . 0.0 112.657 -169.708 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -60.36 -48.45 81.7 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-O 120.737 0.303 . . . . 0.0 110.53 -178.38 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 37.7 t -66.78 -33.58 75.93 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.761 178.953 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -54.96 -58.81 6.13 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 121.065 0.46 . . . . 0.0 111.386 -177.539 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 27' ' ' MET . . . . . 0.557 ' HB2' ' CG2' ' A' ' 38' ' ' VAL . 52.1 mtt -72.8 -25.14 61.04 Favored 'General case' 0 C--N 1.324 -0.504 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.214 179.835 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 28' ' ' LEU . . . . . 0.62 ' O ' ' HB3' ' A' ' 32' ' ' GLU . 41.5 tp -64.37 -29.03 70.11 Favored 'General case' 0 C--N 1.321 -0.64 0 N-CA-C 110.072 -0.344 . . . . 0.0 110.072 177.585 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 29' ' ' ARG . . . . . 0.47 ' HD3' ' OE2' ' A' ' 32' ' ' GLU . 14.6 mmt180 -90.68 -39.37 12.49 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.284 -0.416 . . . . 0.0 111.499 178.744 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 30' ' ' PHE . . . . . 0.451 ' HE1' ' CE1' ' A' ' 16' ' ' PHE . 7.2 t80 -69.28 -51.54 36.34 Favored 'General case' 0 C--N 1.322 -0.613 0 CA-C-O 121.452 0.644 . . . . 0.0 110.958 177.475 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -82.98 -16.98 45.1 Favored 'General case' 0 C--N 1.318 -0.792 0 CA-C-N 115.593 -0.731 . . . . 0.0 112.056 -170.623 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 32' ' ' GLU . . . . . 0.62 ' HB3' ' O ' ' A' ' 28' ' ' LEU . 11.0 pt-20 -58.91 -33.41 70.53 Favored 'General case' 0 N--CA 1.467 0.4 0 C-N-CA 120.447 -0.501 . . . . 0.0 110.51 176.971 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 33' ' ' GLN . . . . . . . . . . . . . 90.1 mt-30 -90.29 -24.87 20.78 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.832 -179.707 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -82.21 -27.65 32.42 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.301 -0.409 . . . . 0.0 111.474 179.384 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 101.49 36.85 3.67 Favored Glycine 0 N--CA 1.45 -0.395 0 C-N-CA 121.155 -0.545 . . . . 0.0 112.587 179.716 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 36' ' ' MET . . . . . . . . . . . . . 70.2 mtm -142.4 174.91 10.2 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-O 120.594 0.235 . . . . 0.0 110.666 -178.93 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 37' ' ' GLN . . . . . . . . . . . . . 9.0 tt0 -155.88 162.21 40.46 Favored 'General case' 0 C--N 1.329 -0.309 0 N-CA-C 109.325 -0.62 . . . . 0.0 109.325 178.312 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 38' ' ' VAL . . . . . 0.557 ' CG2' ' HB2' ' A' ' 27' ' ' MET . 11.0 t -76.26 116.34 19.19 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-O 120.714 0.292 . . . . 0.0 110.985 -174.658 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 39' ' ' PHE . . . . . . . . . . . . . 81.0 t80 -104.03 98.66 8.45 Favored 'General case' 0 C--N 1.324 -0.53 0 N-CA-C 108.624 -0.88 . . . . 0.0 108.624 173.577 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 40' ' ' PHE . . . . . . . . . . . . . 13.9 p90 -125.79 140.84 52.34 Favored 'General case' 0 C--N 1.32 -0.683 0 CA-C-N 116.007 -0.542 . . . . 0.0 111.18 -171.726 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 21.2 m-20 -114.98 -85.72 0.61 Allowed 'General case' 0 C--N 1.323 -0.586 0 CA-C-N 115.589 -0.732 . . . . 0.0 110.163 178.194 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 77.5 mm-40 -101.8 89.95 3.84 Favored 'General case' 0 C--N 1.323 -0.57 0 CA-C-O 121.084 0.469 . . . . 0.0 110.632 178.004 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 43' ' ' VAL . . . . . . . . . . . . . 30.2 m -132.84 -176.35 1.7 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.513 0 CA-C-N 115.736 -0.665 . . . . 0.0 110.103 179.218 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 34.4 ttmt -73.11 148.1 44.28 Favored 'General case' 0 C--N 1.321 -0.633 0 CA-C-O 121.099 0.476 . . . . 0.0 110.03 177.203 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 45' ' ' LEU . . . . . 0.451 ' H ' HD22 ' A' ' 45' ' ' LEU . 2.7 mm? -60.46 138.13 58.05 Favored 'General case' 0 C--N 1.325 -0.458 0 CA-C-N 115.3 -0.864 . . . . 0.0 110.558 -178.181 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 24.3 t70 -55.88 145.94 23.35 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-N 115.615 -0.721 . . . . 0.0 110.587 179.195 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 123.64 -17.04 7.84 Favored Glycine 0 N--CA 1.444 -0.827 0 N-CA-C 109.736 -1.346 . . . . 0.0 109.736 -168.138 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 48' ' ' MET . . . . . . . . . . . . . 12.9 tpt -56.71 122.03 11.16 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 114.622 -0.789 . . . . 0.0 109.724 170.857 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 28.5 mt-30 -67.7 131.46 45.62 Favored 'General case' 0 C--N 1.323 -0.56 0 CA-C-N 116.283 -0.417 . . . . 0.0 111.294 -178.197 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -82.96 143.89 30.36 Favored 'General case' 0 C--N 1.317 -0.814 0 N-CA-C 109.119 -0.697 . . . . 0.0 109.119 171.855 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -69.43 144.15 53.4 Favored 'General case' 0 C--N 1.322 -0.628 0 CA-C-N 116.402 -0.363 . . . . 0.0 110.499 -179.081 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -66.8 89.96 0.17 Allowed 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.613 178.755 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 50.0 tp -95.12 118.4 31.86 Favored 'General case' 0 C--N 1.323 -0.555 0 CA-C-N 115.573 -0.74 . . . . 0.0 110.817 -176.844 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 54' ' ' ASN . . . . . 0.546 ' HA ' ' O ' ' A' ' 16' ' ' PHE . 6.6 t30 -143.56 98.9 3.33 Favored 'General case' 0 C--N 1.322 -0.622 0 CA-C-N 115.964 -0.562 . . . . 0.0 109.617 176.452 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . 177.98 168.32 37.31 Favored Glycine 0 N--CA 1.447 -0.599 0 C-N-CA 120.846 -0.693 . . . . 0.0 112.054 -179.754 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 56' ' ' SER . . . . . 0.566 ' HA ' ' O ' ' A' ' 14' ' ' LYS . 44.2 m -101.12 112.89 25.48 Favored 'General case' 0 C--N 1.324 -0.543 0 CA-C-O 120.78 0.324 . . . . 0.0 110.559 177.928 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 57' ' ' MET . . . . . . . . . . . . . 21.8 ptp -154.82 -174.51 5.01 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.076 -0.511 . . . . 0.0 110.445 -178.926 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 58' ' ' SER . . . . . 0.506 ' HB2' ' OE1' ' A' ' 61' ' ' GLN . 16.4 m -87.79 176.67 7.28 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 116.703 -0.226 . . . . 0.0 111.493 -179.06 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 59' ' ' VAL . . . . . . . . . . . . . 46.8 t -64.37 -44.93 97.22 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 N-CA-C 110.195 -0.298 . . . . 0.0 110.195 -179.927 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 60' ' ' GLU . . . . . 0.465 ' O ' ' HG3' ' A' ' 64' ' ' ARG . 59.2 mm-40 -52.12 -62.75 1.44 Allowed 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 115.942 -0.572 . . . . 0.0 110.934 178.299 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 61' ' ' GLN . . . . . 0.506 ' OE1' ' HB2' ' A' ' 58' ' ' SER . 22.7 mp0 -55.76 -43.17 76.44 Favored 'General case' 0 C--O 1.234 0.286 0 CA-C-N 115.799 -0.637 . . . . 0.0 111.152 -178.623 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . -58.12 -58.31 15.24 Favored Glycine 0 N--CA 1.445 -0.745 0 C-N-CA 121.053 -0.594 . . . . 0.0 112.143 -179.197 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 63' ' ' LEU . . . . . 0.518 ' O ' HG13 ' A' ' 67' ' ' ILE . 4.5 mm? -57.85 -45.7 85.87 Favored 'General case' 0 C--N 1.327 -0.388 0 C-N-CA 122.329 0.252 . . . . 0.0 111.642 -176.509 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 64' ' ' ARG . . . . . 0.465 ' HG3' ' O ' ' A' ' 60' ' ' GLU . 94.8 mtt180 -52.28 -52.57 52.0 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-O 120.796 0.331 . . . . 0.0 111.346 -179.678 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 65' ' ' ARG . . . . . . . . . . . . . 89.4 mtt180 -79.67 -29.73 40.95 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 115.98 -0.555 . . . . 0.0 111.253 -175.518 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 66' ' ' LEU . . . . . 0.406 HD12 HG22 ' A' ' 18' ' ' ILE . 45.7 tp -69.61 -48.09 61.22 Favored 'General case' 0 C--N 1.323 -0.546 0 CA-C-N 115.633 -0.712 . . . . 0.0 112.067 -174.806 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 67' ' ' ILE . . . . . 0.518 HG13 ' O ' ' A' ' 63' ' ' LEU . 11.6 mt -75.7 -66.06 0.64 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.436 0 C-N-CA 120.429 -0.509 . . . . 0.0 110.884 -173.352 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . -116.83 -50.9 0.39 Allowed Glycine 0 N--CA 1.45 -0.403 0 C-N-CA 120.9 -0.667 . . . . 0.0 113.196 -178.634 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . 104.48 -0.7 43.01 Favored Glycine 0 N--CA 1.447 -0.627 0 N-CA-C 110.644 -0.982 . . . . 0.0 110.644 -167.02 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 70' ' ' ASN . . . . . . . . . . . . . 83.2 m-20 -100.88 159.34 29.8 Favored Pre-proline 0 C--N 1.328 -0.353 0 CA-C-N 115.361 -0.419 . . . . 0.0 109.895 177.601 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 71' ' ' PRO . . . . . . . . . . . . . 24.9 Cg_exo -64.97 124.2 12.73 Favored 'Trans proline' 0 C--N 1.345 0.366 0 C-N-CA 122.58 2.187 . . . . 0.0 111.13 171.884 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 72' ' ' VAL . . . . . . . . . . . . . 1.0 OUTLIER -150.75 162.56 3.34 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.524 0 N-CA-C 109.425 -0.583 . . . . 0.0 109.425 -176.152 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -108.41 118.32 36.47 Favored 'General case' 0 N--CA 1.444 -0.761 0 C-N-CA 120.645 -0.422 . . . . 0.0 109.869 -177.897 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 74' ' ' PHE . . . . . . . . . . . . . 38.6 p90 -133.24 118.69 18.89 Favored 'General case' 0 C--N 1.317 -0.835 0 CA-C-O 121.494 0.664 . . . . 0.0 109.628 179.732 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 75' ' ' ARG . . . . . . . . . . . . . 75.0 ttt180 -97.09 115.55 27.7 Favored 'General case' 0 C--N 1.319 -0.748 0 CA-C-N 115.625 -0.716 . . . . 0.0 110.35 -175.622 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 76' ' ' LEU . . . . . . . . . . . . . 2.5 mm? -82.87 99.83 9.98 Favored 'General case' 0 C--N 1.324 -0.533 0 N-CA-C 109.048 -0.723 . . . . 0.0 109.048 177.945 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 77' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -88.18 132.36 39.84 Favored Pre-proline 0 N--CA 1.443 -0.809 0 CA-C-N 116.348 -0.387 . . . . 0.0 110.178 -177.623 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 78' ' ' PRO . . . . . . . . . . . . . 50.8 Cg_exo -56.51 -17.32 21.48 Favored 'Trans proline' 0 C--N 1.353 0.767 0 C-N-CA 123.754 2.969 . . . . 0.0 114.373 -173.71 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 79' ' ' GLN . . . . . . . . . . . . . 42.7 mt-30 -82.77 15.53 2.62 Favored 'General case' 0 C--N 1.325 -0.457 0 CA-C-O 120.978 0.418 . . . . 0.0 110.945 178.386 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . 78.02 39.69 23.09 Favored Glycine 0 N--CA 1.446 -0.654 0 C-N-CA 121.037 -0.601 . . . . 0.0 112.578 176.227 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 81' ' ' GLN . . . . . . . . . . . . . 27.6 mt-30 -131.74 119.12 20.88 Favored 'General case' 0 C--N 1.324 -0.522 0 CA-C-O 120.716 0.293 . . . . 0.0 110.994 -177.938 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 82' ' ' ILE . . . . . . . . . . . . . 56.9 mt -89.47 101.97 12.63 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 N-CA-C 109.503 -0.554 . . . . 0.0 109.503 175.501 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 83' ' ' VAL . . . . . . . . . . . . . 28.8 t -94.2 100.74 11.65 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.407 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.226 -177.988 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 84' ' ' LEU . . . . . 0.614 HD22 ' N ' ' A' ' 85' ' ' SER . 3.9 tt -94.72 136.83 34.57 Favored 'General case' 0 C--N 1.323 -0.56 0 N-CA-C 109.723 -0.473 . . . . 0.0 109.723 -178.567 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 85' ' ' SER . . . . . 0.614 ' N ' HD22 ' A' ' 84' ' ' LEU . 21.4 m -141.27 144.25 34.55 Favored 'General case' 0 N--CA 1.451 -0.381 0 CA-C-N 116.306 -0.407 . . . . 0.0 109.948 179.981 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 86' ' ' ARG . . . . . . . . . . . . . 64.6 ttt-85 -87.37 94.53 9.71 Favored 'General case' 0 C--N 1.323 -0.57 0 CA-C-O 120.949 0.404 . . . . 0.0 110.822 -178.898 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 87' ' ' LEU . . . . . . . . . . . . . 3.9 mm? . . . . . 0 C--N 1.323 -0.573 0 CA-C-N 116.431 -0.349 . . . . 0.0 110.661 177.667 . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 4.0 pt20 . . . . . 0 C--O 1.235 0.33 0 CA-C-O 120.928 0.394 . . . . 0.0 110.595 . . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' A' A ' 13' ' ' GLN . . . . . 0.461 ' OE1' ' HA ' ' A' ' 57' ' ' MET . 44.6 mt-30 -121.86 138.75 54.27 Favored 'General case' 0 C--N 1.32 -0.705 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.418 -179.133 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 14' ' ' LYS . . . . . 0.479 ' HB2' ' CE2' ' A' ' 16' ' ' PHE . 34.8 mmtp -109.8 151.27 27.19 Favored 'General case' 0 C--N 1.323 -0.576 0 CA-C-N 116.237 -0.438 . . . . 0.0 109.949 -178.386 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 15' ' ' ASN . . . . . 0.413 ' HA ' ' HA ' ' A' ' 56' ' ' SER . 7.3 t30 -83.07 101.31 11.06 Favored 'General case' 0 C--N 1.324 -0.528 0 CA-C-O 120.844 0.354 . . . . 0.0 110.111 -179.947 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 16' ' ' PHE . . . . . 0.479 ' CE2' ' HB2' ' A' ' 14' ' ' LYS . 90.6 m-85 -100.27 129.7 46.3 Favored 'General case' 0 C--N 1.323 -0.57 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.924 -178.418 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 24.3 t-20 -131.32 95.51 3.79 Favored 'General case' 0 C--N 1.324 -0.514 0 CA-C-N 115.903 -0.59 . . . . 0.0 109.728 176.349 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 18' ' ' ILE . . . . . 0.45 ' CD1' ' HB2' ' A' ' 30' ' ' PHE . 11.9 mt -123.09 119.87 58.93 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.546 0 CA-C-N 116.091 -0.504 . . . . 0.0 110.577 -175.768 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -68.72 148.99 49.57 Favored 'General case' 0 C--N 1.325 -0.497 0 N-CA-C 108.931 -0.766 . . . . 0.0 108.931 173.005 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -64.05 104.21 0.69 Allowed 'General case' 0 C--N 1.326 -0.423 0 CA-C-O 121.273 0.559 . . . . 0.0 110.695 -176.45 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 21' ' ' GLN . . . . . . . . . . . . . 77.6 mt-30 -104.31 172.61 3.99 Favored Pre-proline 0 C--N 1.32 -0.682 0 CA-C-N 115.266 -0.879 . . . . 0.0 109.738 177.682 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 22' ' ' PRO . . . . . . . . . . . . . 52.7 Cg_exo -55.88 140.22 85.15 Favored 'Trans proline' 0 N--CA 1.462 -0.357 0 C-N-CA 121.629 1.553 . . . . 0.0 109.852 165.85 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -51.21 -50.37 59.21 Favored 'General case' 0 C--N 1.328 -0.357 0 N-CA-C 112.434 0.531 . . . . 0.0 112.434 -168.846 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 2.7 mp0 -63.32 -31.37 72.5 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-O 120.721 0.296 . . . . 0.0 111.506 -178.514 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 47.4 t -78.58 -35.44 45.81 Favored 'General case' 0 C--N 1.325 -0.462 0 CA-C-N 116.368 -0.378 . . . . 0.0 110.375 177.439 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -58.1 -53.99 52.01 Favored 'General case' 0 CA--C 1.514 -0.436 0 CA-C-O 121.49 0.662 . . . . 0.0 110.727 -179.582 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 27' ' ' MET . . . . . . . . . . . . . 19.9 mmt -74.79 -19.15 60.32 Favored 'General case' 0 C--N 1.317 -0.817 0 CA-C-N 115.207 -0.906 . . . . 0.0 110.97 -176.127 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 28' ' ' LEU . . . . . 0.463 ' O ' ' HB3' ' A' ' 32' ' ' GLU . 63.4 tp -64.06 -32.48 74.05 Favored 'General case' 0 C--N 1.322 -0.617 0 N-CA-C 109.059 -0.719 . . . . 0.0 109.059 172.55 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 29' ' ' ARG . . . . . 0.422 ' HA ' ' OE2' ' A' ' 32' ' ' GLU . 19.2 mmt180 -90.14 -38.03 13.79 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 115.667 -0.697 . . . . 0.0 111.4 -179.569 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 30' ' ' PHE . . . . . 0.45 ' HB2' ' CD1' ' A' ' 18' ' ' ILE . 17.9 t80 -71.69 -56.25 6.17 Favored 'General case' 0 C--N 1.323 -0.547 0 CA-C-O 121.293 0.568 . . . . 0.0 110.964 177.467 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -76.31 -17.42 59.44 Favored 'General case' 0 C--N 1.318 -0.79 0 CA-C-N 115.668 -0.696 . . . . 0.0 112.064 -170.422 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 32' ' ' GLU . . . . . 0.463 ' HB3' ' O ' ' A' ' 28' ' ' LEU . 14.5 pt-20 -64.0 -29.73 70.87 Favored 'General case' 0 N--CA 1.463 0.194 0 C-N-CA 119.995 -0.682 . . . . 0.0 109.843 174.84 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 33' ' ' GLN . . . . . . . . . . . . . 27.4 mt-30 -77.05 -30.8 55.77 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 115.93 -0.577 . . . . 0.0 110.165 176.359 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -88.31 -19.04 27.25 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-N 115.653 -0.703 . . . . 0.0 111.547 -176.636 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 95.46 31.65 7.39 Favored Glycine 0 CA--C 1.52 0.377 0 CA-C-N 116.298 -0.41 . . . . 0.0 112.806 178.688 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 36' ' ' MET . . . . . . . . . . . . . 71.3 mtm -144.64 175.73 9.94 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.631 0.253 . . . . 0.0 111.072 -176.666 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 37' ' ' GLN . . . . . . . . . . . . . 38.7 mt-30 -150.65 161.61 42.27 Favored 'General case' 0 C--N 1.329 -0.288 0 C-N-CA 123.328 0.651 . . . . 0.0 109.476 174.138 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 4.2 m -77.01 136.7 23.95 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.5 0 CA-C-O 121.073 0.463 . . . . 0.0 111.348 -177.244 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 39' ' ' PHE . . . . . . . . . . . . . 89.3 t80 -116.03 98.21 6.51 Favored 'General case' 0 C--N 1.323 -0.562 0 CA-C-N 115.797 -0.638 . . . . 0.0 109.85 178.071 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 40' ' ' PHE . . . . . . . . . . . . . 93.3 m-85 -145.67 135.81 23.8 Favored 'General case' 0 C--N 1.322 -0.588 0 CA-C-N 115.925 -0.58 . . . . 0.0 110.232 -178.864 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 8.8 m-20 -125.93 -69.11 0.79 Allowed 'General case' 0 C--N 1.322 -0.605 0 CA-C-N 116.08 -0.509 . . . . 0.0 110.444 177.933 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 38.2 mt-10 -98.52 87.39 3.82 Favored 'General case' 0 C--N 1.322 -0.603 0 CA-C-N 116.08 -0.509 . . . . 0.0 109.902 179.532 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 43' ' ' VAL . . . . . . . . . . . . . 19.3 m -146.13 -162.62 0.12 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.448 0 CA-C-N 115.394 -0.821 . . . . 0.0 109.916 -177.274 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 36.9 ttmt -54.51 137.83 42.0 Favored 'General case' 0 C--O 1.236 0.343 0 CA-C-O 121.228 0.537 . . . . 0.0 110.744 174.737 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 63.9 tp -56.61 136.68 54.59 Favored 'General case' 0 C--N 1.325 -0.467 0 CA-C-N 115.132 -0.94 . . . . 0.0 111.017 -178.522 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 2.2 m-20 -55.76 149.83 13.84 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 115.564 -0.744 . . . . 0.0 110.886 176.832 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 121.42 -20.75 8.29 Favored Glycine 0 N--CA 1.444 -0.793 0 N-CA-C 110.047 -1.221 . . . . 0.0 110.047 -169.672 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 48' ' ' MET . . . . . . . . . . . . . 16.9 tpt -58.38 127.54 32.64 Favored 'General case' 0 C--O 1.234 0.243 0 CA-C-N 114.695 -0.752 . . . . 0.0 110.456 176.739 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 30.2 mm-40 -93.21 148.55 21.93 Favored 'General case' 0 C--N 1.319 -0.747 0 CA-C-O 121.282 0.563 . . . . 0.0 110.845 -179.512 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -83.73 166.73 17.81 Favored 'General case' 0 C--N 1.317 -0.815 0 CA-C-N 115.312 -0.858 . . . . 0.0 109.422 174.884 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -83.63 157.42 22.26 Favored 'General case' 0 C--N 1.317 -0.815 0 CA-C-N 116.347 -0.388 . . . . 0.0 110.465 -179.443 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -65.43 110.12 2.55 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.029 -0.532 . . . . 0.0 109.79 178.022 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 2.8 tm? -108.5 117.28 33.77 Favored 'General case' 0 C--N 1.322 -0.599 0 CA-C-N 116.307 -0.406 . . . . 0.0 110.57 -173.895 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 54' ' ' ASN . . . . . . . . . . . . . 10.2 t30 -153.5 103.76 2.68 Favored 'General case' 0 C--N 1.324 -0.534 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.186 172.735 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . 178.52 158.28 20.82 Favored Glycine 0 N--CA 1.445 -0.753 0 C-N-CA 120.587 -0.816 . . . . 0.0 112.185 178.49 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 56' ' ' SER . . . . . 0.47 ' HA ' ' O ' ' A' ' 14' ' ' LYS . 29.0 t -91.25 108.41 19.86 Favored 'General case' 0 C--N 1.322 -0.622 0 N-CA-C 109.18 -0.674 . . . . 0.0 109.18 175.265 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 57' ' ' MET . . . . . 0.495 ' SD ' ' HA2' ' A' ' 62' ' ' GLY . 20.2 ptp -156.64 169.92 23.58 Favored 'General case' 0 C--N 1.324 -0.512 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.851 -173.977 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 4.8 m -88.01 177.51 6.92 Favored 'General case' 0 C--N 1.326 -0.452 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.059 177.612 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 59' ' ' VAL . . . . . . . . . . . . . 45.9 t -60.67 -39.98 83.3 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 N-CA-C 110.328 -0.249 . . . . 0.0 110.328 179.834 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 62.0 mm-40 -47.62 -61.41 1.95 Allowed 'General case' 0 N--CA 1.463 0.193 0 CA-C-N 115.98 -0.555 . . . . 0.0 111.575 177.1 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 61' ' ' GLN . . . . . 0.439 ' HB2' ' HB2' ' A' ' 57' ' ' MET . 68.5 mt-30 -72.23 -36.01 69.0 Favored 'General case' 0 C--N 1.325 -0.467 0 CA-C-N 115.851 -0.613 . . . . 0.0 110.971 -176.968 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 62' ' ' GLY . . . . . 0.505 ' O ' ' HB2' ' A' ' 66' ' ' LEU . . . -66.91 -54.04 23.8 Favored Glycine 0 C--O 1.222 -0.654 0 CA-C-N 115.86 -0.609 . . . . 0.0 112.958 -175.885 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 1.9 tm? -59.51 -44.74 93.04 Favored 'General case' 0 C--N 1.325 -0.476 0 CA-C-O 120.969 0.414 . . . . 0.0 110.817 -175.479 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 64' ' ' ARG . . . . . . . . . . . . . 54.0 mtp180 -58.29 -47.41 83.74 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 115.884 -0.598 . . . . 0.0 110.848 178.568 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 65' ' ' ARG . . . . . 0.485 ' HA ' ' HA2' ' A' ' 69' ' ' GLY . 73.7 ttt180 -73.36 -31.99 64.26 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 116.067 -0.515 . . . . 0.0 111.344 -178.512 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 66' ' ' LEU . . . . . 0.505 ' HB2' ' O ' ' A' ' 62' ' ' GLY . 1.2 tt -70.07 -44.86 68.27 Favored 'General case' 0 C--N 1.325 -0.498 0 CA-C-N 115.652 -0.704 . . . . 0.0 111.213 -174.694 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 67' ' ' ILE . . . . . . . . . . . . . 58.3 mt -75.18 -65.78 0.66 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.26 0 C-N-CA 120.048 -0.661 . . . . 0.0 111.044 -176.966 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . -116.84 -49.09 0.43 Allowed Glycine 0 N--CA 1.45 -0.409 0 C-N-CA 120.913 -0.66 . . . . 0.0 113.347 -179.098 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 69' ' ' GLY . . . . . 0.485 ' HA2' ' HA ' ' A' ' 65' ' ' ARG . . . 105.17 -6.12 42.54 Favored Glycine 0 N--CA 1.45 -0.384 0 N-CA-C 111.032 -0.827 . . . . 0.0 111.032 -168.869 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 70' ' ' ASN . . . . . . . . . . . . . 12.0 m120 -101.27 161.45 23.6 Favored Pre-proline 0 C--N 1.325 -0.472 0 CA-C-N 115.564 -0.318 . . . . 0.0 110.309 179.061 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 71' ' ' PRO . . . . . . . . . . . . . 37.8 Cg_exo -63.23 125.57 16.02 Favored 'Trans proline' 0 C--N 1.344 0.314 0 C-N-CA 122.755 2.304 . . . . 0.0 112.136 176.492 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 72' ' ' VAL . . . . . . . . . . . . . 4.3 p -152.17 161.14 3.09 Favored 'Isoleucine or valine' 0 N--CA 1.447 -0.594 0 N-CA-C 109.545 -0.539 . . . . 0.0 109.545 -176.629 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -102.83 138.85 39.16 Favored 'General case' 0 N--CA 1.439 -1.021 0 N-CA-C 109.102 -0.703 . . . . 0.0 109.102 175.956 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 74' ' ' PHE . . . . . . . . . . . . . 15.1 p90 -147.0 119.95 8.74 Favored 'General case' 0 C--N 1.309 -1.181 0 CA-C-O 121.503 0.668 . . . . 0.0 110.068 179.709 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 75' ' ' ARG . . . . . . . . . . . . . 55.8 mtm180 -91.5 112.81 24.87 Favored 'General case' 0 C--N 1.319 -0.753 0 CA-C-N 115.29 -0.868 . . . . 0.0 110.594 -175.549 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 76' ' ' LEU . . . . . . . . . . . . . 75.0 mt -91.58 99.74 12.6 Favored 'General case' 0 C--N 1.323 -0.562 0 CA-C-N 115.505 -0.77 . . . . 0.0 110.448 -177.739 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 77' ' ' GLN . . . . . . . . . . . . . 79.5 mt-30 -82.13 121.9 79.15 Favored Pre-proline 0 C--N 1.322 -0.624 0 CA-C-N 116.095 -0.502 . . . . 0.0 110.038 178.989 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 78' ' ' PRO . . . . . . . . . . . . . 31.5 Cg_exo -60.24 -12.07 18.51 Favored 'Trans proline' 0 C--N 1.347 0.475 0 C-N-CA 123.057 2.505 . . . . 0.0 112.092 178.496 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 79' ' ' GLN . . . . . . . . . . . . . 7.3 mm100 -69.22 -15.75 63.45 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.063 -0.517 . . . . 0.0 109.945 176.855 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . 109.66 31.35 3.22 Favored Glycine 0 N--CA 1.447 -0.628 0 C-N-CA 120.923 -0.656 . . . . 0.0 112.499 178.31 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 81' ' ' GLN . . . . . . . . . . . . . 26.4 mt-30 -134.64 126.44 29.15 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-O 121.038 0.447 . . . . 0.0 111.584 -176.95 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 82' ' ' ILE . . . . . . . . . . . . . 65.1 mt -100.69 116.29 43.87 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.517 0 CA-C-N 115.742 -0.663 . . . . 0.0 109.652 174.698 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 83' ' ' VAL . . . . . . . . . . . . . 41.4 t -115.91 119.76 62.82 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.535 0 CA-C-N 116.451 -0.341 . . . . 0.0 110.329 -179.389 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 84' ' ' LEU . . . . . . . . . . . . . 17.9 tp -78.63 153.61 30.93 Favored 'General case' 0 C--N 1.326 -0.455 0 N-CA-C 110.109 -0.33 . . . . 0.0 110.109 -179.231 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 85' ' ' SER . . . . . . . . . . . . . 32.7 m -154.02 172.71 17.04 Favored 'General case' 0 C--N 1.324 -0.515 0 N-CA-C 109.388 -0.597 . . . . 0.0 109.388 179.51 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 86' ' ' ARG . . . . . . . . . . . . . 38.3 ttt180 -122.84 123.32 40.74 Favored 'General case' 0 C--N 1.318 -0.798 0 N-CA-C 109.35 -0.611 . . . . 0.0 109.35 177.833 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 87' ' ' LEU . . . . . . . . . . . . . 1.7 tp . . . . . 0 C--N 1.322 -0.599 0 CA-C-N 116.396 -0.366 . . . . 0.0 110.278 -176.709 . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 26.2 pt20 . . . . . 0 C--O 1.234 0.273 0 CA-C-O 121.036 0.446 . . . . 0.0 111.08 . . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 27.5 mt-30 -109.46 135.26 50.77 Favored 'General case' 0 C--N 1.324 -0.542 0 CA-C-N 115.791 -0.641 . . . . 0.0 110.361 177.316 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 14' ' ' LYS . . . . . 0.422 ' HB2' ' CE2' ' A' ' 16' ' ' PHE . 35.4 mmtp -108.96 154.03 22.74 Favored 'General case' 0 C--N 1.32 -0.688 0 N-CA-C 109.551 -0.537 . . . . 0.0 109.551 178.598 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 15' ' ' ASN . . . . . . . . . . . . . 27.1 t-20 -86.56 113.76 22.73 Favored 'General case' 0 C--N 1.321 -0.657 0 CA-C-N 116.403 -0.362 . . . . 0.0 110.33 -179.163 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 16' ' ' PHE . . . . . 0.422 ' CE2' ' HB2' ' A' ' 14' ' ' LYS . 94.7 m-85 -113.23 152.49 29.71 Favored 'General case' 0 C--N 1.323 -0.544 0 CA-C-N 116.094 -0.503 . . . . 0.0 111.276 -177.468 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 43.7 t30 -149.96 90.58 1.7 Allowed 'General case' 0 C--N 1.324 -0.523 0 CA-C-N 115.38 -0.827 . . . . 0.0 109.073 176.646 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 18' ' ' ILE . . . . . 0.416 ' HB ' ' HB3' ' A' ' 53' ' ' LEU . 20.0 mm -112.49 123.36 68.12 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.513 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.449 -175.368 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -77.99 156.5 30.13 Favored 'General case' 0 C--N 1.323 -0.545 0 N-CA-C 108.688 -0.856 . . . . 0.0 108.688 172.175 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -69.77 102.09 1.84 Allowed 'General case' 0 C--N 1.328 -0.338 0 C-N-CA 120.003 -0.679 . . . . 0.0 110.332 -176.231 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 21' ' ' GLN . . . . . . . . . . . . . 76.7 mt-30 -104.93 165.17 13.71 Favored Pre-proline 0 C--N 1.322 -0.63 0 CA-C-N 114.936 -1.029 . . . . 0.0 109.641 176.565 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 22' ' ' PRO . . . . . . . . . . . . . 9.6 Cg_endo -55.59 137.73 78.79 Favored 'Trans proline' 0 N--CA 1.46 -0.465 0 C-N-CA 121.918 1.745 . . . . 0.0 109.597 165.952 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -49.76 -42.22 45.92 Favored 'General case' 0 C--N 1.327 -0.391 0 N-CA-C 112.591 0.589 . . . . 0.0 112.591 -167.508 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 24.5 mp0 -57.25 -53.1 61.9 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-O 121.017 0.436 . . . . 0.0 110.63 -179.245 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 25' ' ' SER . . . . . 0.417 ' O ' ' HG2' ' A' ' 29' ' ' ARG . 43.2 t -71.09 -32.33 68.93 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-N 115.867 -0.606 . . . . 0.0 110.859 -178.526 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -56.21 -59.23 5.24 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 121.24 0.543 . . . . 0.0 111.388 -177.386 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 27' ' ' MET . . . . . 0.612 ' HB2' ' CG1' ' A' ' 38' ' ' VAL . 9.8 mmt -82.46 -13.49 56.64 Favored 'General case' 0 CA--C 1.506 -0.734 0 CA-C-N 115.904 -0.589 . . . . 0.0 110.283 -176.604 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 28' ' ' LEU . . . . . 0.668 ' O ' ' HG3' ' A' ' 32' ' ' GLU . 65.4 tp -60.1 -53.42 58.0 Favored 'General case' 0 C--N 1.321 -0.672 0 N-CA-C 108.257 -1.016 . . . . 0.0 108.257 167.729 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 29' ' ' ARG . . . . . 0.417 ' HG2' ' O ' ' A' ' 25' ' ' SER . 28.5 mmt180 -63.94 -42.73 97.26 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 115.811 -0.631 . . . . 0.0 111.588 -178.46 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 30' ' ' PHE . . . . . 0.556 ' CE2' HD23 ' A' ' 63' ' ' LEU . 8.1 t80 -63.83 -54.38 35.99 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 121.035 0.445 . . . . 0.0 110.746 176.82 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 31' ' ' ALA . . . . . 0.43 ' HB3' ' HB2' ' A' ' 36' ' ' MET . . . -69.9 -19.37 63.41 Favored 'General case' 0 N--CA 1.448 -0.57 0 CA-C-N 116.039 -0.528 . . . . 0.0 111.184 -174.584 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 32' ' ' GLU . . . . . 0.668 ' HG3' ' O ' ' A' ' 28' ' ' LEU . 27.8 mt-10 -57.09 -34.38 68.26 Favored 'General case' 0 N--CA 1.468 0.442 0 C-N-CA 120.624 -0.43 . . . . 0.0 110.577 174.052 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 33' ' ' GLN . . . . . . . . . . . . . 15.6 mm100 -90.13 -14.01 34.51 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.935 -179.699 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -96.89 -16.12 20.87 Favored 'General case' 0 C--N 1.324 -0.518 0 CA-C-N 116.255 -0.43 . . . . 0.0 111.335 -179.165 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 94.0 22.53 25.18 Favored Glycine 0 N--CA 1.451 -0.309 0 C-N-CA 121.113 -0.565 . . . . 0.0 112.364 179.557 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 36' ' ' MET . . . . . 0.43 ' HB2' ' HB3' ' A' ' 31' ' ' ALA . 1.1 mtp -130.11 175.46 8.88 Favored 'General case' 0 C--N 1.325 -0.5 0 CA-C-O 120.616 0.246 . . . . 0.0 110.606 -175.825 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 37' ' ' GLN . . . . . 0.45 ' O ' ' HA ' ' A' ' 81' ' ' GLN . 29.4 tt0 -147.92 155.57 41.73 Favored 'General case' 0 C--N 1.326 -0.433 0 N-CA-C 109.591 -0.522 . . . . 0.0 109.591 176.553 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 38' ' ' VAL . . . . . 0.612 ' CG1' ' HB2' ' A' ' 27' ' ' MET . 22.9 m -78.09 144.09 11.81 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.443 0 CA-C-O 120.937 0.398 . . . . 0.0 110.745 178.281 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 39' ' ' PHE . . . . . 0.51 ' O ' HG11 ' A' ' 83' ' ' VAL . 68.7 t80 -127.12 120.59 29.23 Favored 'General case' 0 C--N 1.319 -0.742 0 CA-C-N 116.097 -0.501 . . . . 0.0 109.962 177.269 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 40' ' ' PHE . . . . . . . . . . . . . 64.7 m-85 -124.94 129.08 49.65 Favored 'General case' 0 C--N 1.316 -0.849 0 N-CA-C 109.165 -0.68 . . . . 0.0 109.165 173.637 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 7.5 p-10 -83.79 -171.64 3.71 Favored 'General case' 0 C--N 1.321 -0.661 0 N-CA-C 108.961 -0.755 . . . . 0.0 108.961 175.806 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 42.7 mt-10 -73.3 87.3 1.49 Allowed 'General case' 0 C--N 1.321 -0.643 0 CA-C-O 121.303 0.573 . . . . 0.0 110.71 -177.059 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 43' ' ' VAL . . . . . . . . . . . . . 15.4 m -123.73 152.78 29.23 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.444 0 CA-C-N 115.393 -0.821 . . . . 0.0 110.904 -177.749 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 39.2 ttpt -104.55 91.63 3.96 Favored 'General case' 0 C--N 1.321 -0.646 0 CA-C-N 116.049 -0.523 . . . . 0.0 110.403 179.831 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 45' ' ' LEU . . . . . 0.526 ' O ' HD13 ' A' ' 45' ' ' LEU . 1.1 pp -156.61 125.48 5.93 Favored 'General case' 0 C--N 1.324 -0.513 0 CA-C-O 121.286 0.565 . . . . 0.0 110.633 177.568 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 4.6 p-10 -131.21 162.98 28.75 Favored 'General case' 0 C--N 1.322 -0.592 0 CA-C-N 115.89 -0.596 . . . . 0.0 110.027 -179.809 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 86.36 13.98 67.1 Favored Glycine 0 N--CA 1.449 -0.438 0 C-N-CA 120.497 -0.859 . . . . 0.0 111.526 -179.695 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 48' ' ' MET . . . . . . . . . . . . . 25.4 mmt -88.48 118.71 28.31 Favored 'General case' 0 N--CA 1.448 -0.562 0 N-CA-C 109.198 -0.668 . . . . 0.0 109.198 177.661 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 18.5 pt20 -138.78 166.33 24.7 Favored 'General case' 0 C--N 1.318 -0.773 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.479 -176.786 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -89.52 163.29 15.28 Favored 'General case' 0 C--N 1.32 -0.679 0 CA-C-N 115.751 -0.658 . . . . 0.0 110.357 179.801 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -95.95 174.03 7.14 Favored 'General case' 0 C--N 1.322 -0.596 0 CA-C-N 116.02 -0.536 . . . . 0.0 110.054 176.117 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -70.45 109.02 4.55 Favored 'General case' 0 C--N 1.325 -0.476 0 CA-C-O 121.017 0.437 . . . . 0.0 110.696 -179.263 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 53' ' ' LEU . . . . . 0.416 ' HB3' ' HB ' ' A' ' 18' ' ' ILE . 2.3 tm? -108.04 118.15 35.99 Favored 'General case' 0 C--N 1.322 -0.617 0 CA-C-N 115.873 -0.603 . . . . 0.0 109.604 -177.868 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 54' ' ' ASN . . . . . . . . . . . . . 56.3 t30 -152.78 98.53 2.35 Favored 'General case' 0 C--N 1.322 -0.6 0 CA-C-O 120.83 0.348 . . . . 0.0 110.261 176.461 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . 177.56 173.71 43.29 Favored Glycine 0 N--CA 1.449 -0.458 0 C-N-CA 120.829 -0.7 . . . . 0.0 112.427 178.73 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 20.9 m -99.19 106.4 18.57 Favored 'General case' 0 C--N 1.323 -0.577 0 N-CA-C 109.356 -0.609 . . . . 0.0 109.356 174.455 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 57' ' ' MET . . . . . 0.404 ' HB2' ' HB2' ' A' ' 61' ' ' GLN . 23.0 ptp -150.72 174.89 12.51 Favored 'General case' 0 C--N 1.323 -0.546 0 CA-C-N 116.351 -0.386 . . . . 0.0 110.633 -173.953 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 14.8 m -100.89 177.96 4.82 Favored 'General case' 0 C--N 1.323 -0.568 0 CA-C-N 116.363 -0.381 . . . . 0.0 110.764 -177.703 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 59' ' ' VAL . . . . . . . . . . . . . 11.3 p -52.76 -45.46 49.57 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.267 0 O-C-N 123.279 0.362 . . . . 0.0 111.951 -175.777 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 60' ' ' GLU . . . . . 0.687 ' O ' ' HG3' ' A' ' 64' ' ' ARG . 19.8 mt-10 -56.09 -65.31 0.62 Allowed 'General case' 0 C--N 1.325 -0.465 0 CA-C-N 116.507 -0.315 . . . . 0.0 111.145 179.393 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 61' ' ' GLN . . . . . 0.404 ' HB2' ' HB2' ' A' ' 57' ' ' MET . 25.3 mp0 -55.87 -36.96 68.16 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.967 -176.46 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . -60.16 -62.27 6.23 Favored Glycine 0 N--CA 1.446 -0.695 0 CA-C-N 115.835 -0.62 . . . . 0.0 112.22 177.967 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 63' ' ' LEU . . . . . 0.556 HD23 ' CE2' ' A' ' 30' ' ' PHE . 4.3 mm? -65.37 -22.21 66.78 Favored 'General case' 0 C--O 1.236 0.371 0 N-CA-C 111.637 0.236 . . . . 0.0 111.637 -176.168 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 64' ' ' ARG . . . . . 0.687 ' HG3' ' O ' ' A' ' 60' ' ' GLU . 99.2 mtt180 -63.17 -51.24 67.19 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.95 0.405 . . . . 0.0 110.487 176.373 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 65' ' ' ARG . . . . . . . . . . . . . 19.3 ttm180 -81.0 -28.75 35.36 Favored 'General case' 0 C--N 1.323 -0.56 0 CA-C-N 115.842 -0.617 . . . . 0.0 110.306 -178.371 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 66' ' ' LEU . . . . . 0.468 ' HB3' ' CE ' ' A' ' 27' ' ' MET . 10.7 mt -70.68 -50.06 40.58 Favored 'General case' 0 C--N 1.323 -0.566 0 CA-C-N 115.263 -0.881 . . . . 0.0 112.819 -176.655 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 67' ' ' ILE . . . . . . . . . . . . . 58.1 mt -88.73 -64.11 1.2 Allowed 'Isoleucine or valine' 0 C--N 1.331 -0.232 0 N-CA-C 113.097 0.777 . . . . 0.0 113.097 -170.168 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . -114.2 -62.69 0.41 Allowed Glycine 0 N--CA 1.448 -0.519 0 C-N-CA 119.089 -1.529 . . . . 0.0 114.614 -170.886 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . 87.58 -21.96 19.39 Favored Glycine 0 CA--C 1.52 0.371 0 N-CA-C 110.401 -1.079 . . . . 0.0 110.401 -167.353 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 70' ' ' ASN . . . . . . . . . . . . . 26.9 p-10 -101.57 168.96 8.32 Favored Pre-proline 0 C--N 1.327 -0.39 0 C-N-CA 123.32 0.648 . . . . 0.0 109.47 176.781 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 71' ' ' PRO . . . . . . . . . . . . . 27.6 Cg_exo -63.35 97.87 0.21 Allowed 'Trans proline' 0 C--N 1.351 0.683 0 C-N-CA 122.341 2.027 . . . . 0.0 112.876 -179.343 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 72' ' ' VAL . . . . . . . . . . . . . 43.6 t -143.8 159.87 16.3 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.577 0 N-CA-C 107.515 -1.291 . . . . 0.0 107.515 176.875 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -117.19 132.23 56.69 Favored 'General case' 0 C--N 1.319 -0.719 0 C-N-CA 120.646 -0.421 . . . . 0.0 111.01 178.809 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 74' ' ' PHE . . . . . . . . . . . . . 23.0 p90 -106.18 126.85 52.72 Favored 'General case' 0 C--N 1.32 -0.715 0 CA-C-O 121.446 0.641 . . . . 0.0 110.238 175.481 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 75' ' ' ARG . . . . . . . . . . . . . 20.4 tpp180 -90.17 111.03 22.04 Favored 'General case' 0 C--N 1.319 -0.721 0 CA-C-N 115.183 -0.917 . . . . 0.0 110.347 -177.837 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 76' ' ' LEU . . . . . . . . . . . . . 87.9 mt -92.66 98.92 11.73 Favored 'General case' 0 C--N 1.319 -0.72 0 N-CA-C 109.461 -0.57 . . . . 0.0 109.461 175.872 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 77' ' ' GLN . . . . . 0.402 ' HA ' ' HD3' ' A' ' 78' ' ' PRO . 79.6 mt-30 -85.39 127.92 61.57 Favored Pre-proline 0 C--N 1.321 -0.672 0 CA-C-N 116.072 -0.513 . . . . 0.0 110.449 -178.954 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 78' ' ' PRO . . . . . 0.402 ' HD3' ' HA ' ' A' ' 77' ' ' GLN . 32.4 Cg_exo -58.76 -15.94 28.77 Favored 'Trans proline' 0 C--N 1.348 0.534 0 C-N-CA 123.249 2.633 . . . . 0.0 112.634 178.344 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 79' ' ' GLN . . . . . . . . . . . . . 93.3 mt-30 -78.47 -4.34 47.99 Favored 'General case' 0 C--O 1.234 0.288 0 CA-C-O 121.06 0.457 . . . . 0.0 110.701 177.073 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . 91.26 44.32 4.4 Favored Glycine 0 N--CA 1.444 -0.788 0 C-N-CA 120.967 -0.635 . . . . 0.0 112.737 177.887 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 81' ' ' GLN . . . . . 0.45 ' HA ' ' O ' ' A' ' 37' ' ' GLN . 76.4 mt-30 -132.63 140.7 48.32 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-O 120.698 0.285 . . . . 0.0 110.918 178.332 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 82' ' ' ILE . . . . . . . . . . . . . 43.6 mt -118.62 115.28 47.61 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.394 0 CA-C-N 115.886 -0.597 . . . . 0.0 109.864 175.688 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 83' ' ' VAL . . . . . 0.51 HG11 ' O ' ' A' ' 39' ' ' PHE . 26.9 m -130.92 165.59 30.9 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.387 0 N-CA-C 109.639 -0.504 . . . . 0.0 109.639 177.734 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 84' ' ' LEU . . . . . . . . . . . . . 11.1 mp -104.61 137.97 41.64 Favored 'General case' 0 C--N 1.324 -0.527 0 CA-C-O 121.108 0.48 . . . . 0.0 111.404 -178.273 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 85' ' ' SER . . . . . . . . . . . . . 31.9 m -126.12 152.01 46.49 Favored 'General case' 0 C--N 1.32 -0.699 0 CA-C-N 115.648 -0.705 . . . . 0.0 109.863 179.121 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 86' ' ' ARG . . . . . . . . . . . . . 13.3 ptm180 -101.44 83.35 2.44 Favored 'General case' 0 C--N 1.325 -0.49 0 CA-C-O 121.425 0.631 . . . . 0.0 111.466 -179.007 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 87' ' ' LEU . . . . . . . . . . . . . 4.4 mm? . . . . . 0 C--N 1.323 -0.586 0 N-CA-C 109.736 -0.468 . . . . 0.0 109.736 175.71 . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 22.8 tp60 . . . . . 0 N--CA 1.458 -0.072 0 CA-C-O 120.887 0.375 . . . . 0.0 110.614 . . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 70.7 mt-30 -121.88 135.32 54.88 Favored 'General case' 0 C--N 1.324 -0.527 0 CA-C-N 116.378 -0.374 . . . . 0.0 110.283 177.489 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 14' ' ' LYS . . . . . 0.407 ' O ' ' HA ' ' A' ' 56' ' ' SER . 70.9 mmtt -132.24 158.17 42.46 Favored 'General case' 0 C--N 1.321 -0.649 0 CA-C-N 116.083 -0.508 . . . . 0.0 110.555 -179.639 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 15' ' ' ASN . . . . . . . . . . . . . 22.4 t-20 -83.87 113.63 21.08 Favored 'General case' 0 C--N 1.324 -0.542 0 CA-C-N 115.76 -0.655 . . . . 0.0 109.816 176.497 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 16' ' ' PHE . . . . . 0.478 ' CE1' ' HE1' ' A' ' 30' ' ' PHE . 18.7 m-85 -99.57 135.11 41.48 Favored 'General case' 0 C--N 1.322 -0.614 0 CA-C-N 116.278 -0.419 . . . . 0.0 110.599 -177.163 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 16.4 m120 -127.48 88.63 2.82 Favored 'General case' 0 C--N 1.325 -0.489 0 N-CA-C 108.726 -0.842 . . . . 0.0 108.726 176.387 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 18' ' ' ILE . . . . . 0.408 HG22 HD12 ' A' ' 66' ' ' LEU . 15.5 mm -120.24 107.46 20.93 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.544 0 C-N-CA 120.933 -0.307 . . . . 0.0 111.069 -177.375 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -75.14 161.41 29.42 Favored 'General case' 0 C--N 1.326 -0.451 0 N-CA-C 108.557 -0.905 . . . . 0.0 108.557 168.837 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -69.55 102.2 1.78 Allowed 'General case' 0 C--N 1.328 -0.364 0 CA-C-O 121.478 0.656 . . . . 0.0 110.683 -175.878 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 21' ' ' GLN . . . . . . . . . . . . . 68.9 mt-30 -106.53 174.49 2.54 Favored Pre-proline 0 C--N 1.321 -0.667 0 CA-C-N 114.907 -1.042 . . . . 0.0 110.125 177.545 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 22' ' ' PRO . . . . . . . . . . . . . 21.9 Cg_exo -66.69 144.78 73.31 Favored 'Trans proline' 0 N--CA 1.462 -0.358 0 C-N-CA 121.967 1.778 . . . . 0.0 109.894 164.692 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -52.44 -45.69 66.09 Favored 'General case' 0 C--N 1.327 -0.386 0 N-CA-C 112.733 0.642 . . . . 0.0 112.733 -167.994 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 24' ' ' GLN . . . . . 0.731 ' O ' ' HG ' ' A' ' 28' ' ' LEU . 43.9 mt-30 -55.69 -63.93 1.01 Allowed 'General case' 0 C--N 1.332 -0.172 0 C-N-CA 120.506 -0.478 . . . . 0.0 110.32 177.52 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 70.4 m -56.37 -32.16 64.5 Favored 'General case' 0 C--O 1.232 0.179 0 CA-C-N 116.28 -0.418 . . . . 0.0 111.829 -178.804 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -55.85 -54.19 47.56 Favored 'General case' 0 CA--C 1.517 -0.31 0 CA-C-O 121.475 0.655 . . . . 0.0 110.498 178.511 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 27' ' ' MET . . . . . 0.553 ' CB ' ' HB ' ' A' ' 38' ' ' VAL . 21.5 mmt -79.07 -23.03 44.47 Favored 'General case' 0 C--N 1.319 -0.738 0 CA-C-N 115.314 -0.857 . . . . 0.0 110.686 -177.67 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 28' ' ' LEU . . . . . 0.731 ' HG ' ' O ' ' A' ' 24' ' ' GLN . 79.5 mt -64.83 -32.28 73.9 Favored 'General case' 0 C--N 1.324 -0.53 0 C-N-CA 120.302 -0.559 . . . . 0.0 109.555 175.025 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 19.3 mmm180 -84.72 -41.49 16.17 Favored 'General case' 0 C--N 1.332 -0.176 0 CA-C-N 116.075 -0.511 . . . . 0.0 111.37 178.266 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 30' ' ' PHE . . . . . 0.478 ' HE1' ' CE1' ' A' ' 16' ' ' PHE . 22.0 t80 -71.52 -56.41 5.95 Favored 'General case' 0 C--N 1.322 -0.591 0 CA-C-O 121.086 0.47 . . . . 0.0 111.196 179.925 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 31' ' ' ALA . . . . . 0.404 ' HB3' ' HB2' ' A' ' 36' ' ' MET . . . -68.9 -26.99 65.39 Favored 'General case' 0 N--CA 1.446 -0.652 0 CA-C-N 116.036 -0.529 . . . . 0.0 111.631 -172.208 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 9.4 pt-20 -63.12 -29.82 71.1 Favored 'General case' 0 N--CA 1.465 0.324 0 C-N-CA 120.086 -0.645 . . . . 0.0 110.15 178.412 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 33' ' ' GLN . . . . . . . . . . . . . 15.3 mm100 -78.97 -17.32 55.64 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 115.848 -0.615 . . . . 0.0 110.198 178.135 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -104.66 4.81 33.04 Favored 'General case' 0 C--N 1.325 -0.474 0 CA-C-N 115.69 -0.686 . . . . 0.0 111.285 -179.991 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 74.52 32.61 57.44 Favored Glycine 0 C--N 1.332 0.327 0 C-N-CA 121.304 -0.474 . . . . 0.0 112.754 178.961 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 36' ' ' MET . . . . . 0.404 ' HB2' ' HB3' ' A' ' 31' ' ' ALA . 70.9 mtp -140.57 176.05 9.1 Favored 'General case' 0 C--N 1.324 -0.526 0 CA-C-O 120.583 0.23 . . . . 0.0 110.504 -176.879 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 37' ' ' GLN . . . . . 0.501 ' O ' ' HA ' ' A' ' 81' ' ' GLN . 23.7 tt0 -146.35 149.87 34.62 Favored 'General case' 0 C--N 1.324 -0.506 0 N-CA-C 108.976 -0.75 . . . . 0.0 108.976 173.124 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 38' ' ' VAL . . . . . 0.553 ' HB ' ' CB ' ' A' ' 27' ' ' MET . 12.4 p -78.62 144.63 10.85 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 CA-C-O 120.777 0.322 . . . . 0.0 110.616 -179.103 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 39' ' ' PHE . . . . . . . . . . . . . 66.3 t80 -114.17 127.25 55.82 Favored 'General case' 0 C--N 1.324 -0.536 0 CA-C-N 116.031 -0.531 . . . . 0.0 110.43 -177.144 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 40' ' ' PHE . . . . . . . . . . . . . 38.2 m-85 -118.84 112.31 19.52 Favored 'General case' 0 C--N 1.324 -0.534 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.922 178.092 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 5.8 p-10 -94.36 -147.6 0.26 Allowed 'General case' 0 C--N 1.323 -0.558 0 N-CA-C 108.594 -0.891 . . . . 0.0 108.594 170.211 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 43.5 mt-10 -74.28 87.74 1.99 Allowed 'General case' 0 C--N 1.323 -0.554 0 CA-C-O 121.663 0.744 . . . . 0.0 109.903 176.12 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 43' ' ' VAL . . . . . . . . . . . . . 21.0 m -129.4 -165.23 0.44 Allowed 'Isoleucine or valine' 0 C--N 1.32 -0.681 0 CA-C-N 115.364 -0.835 . . . . 0.0 110.134 -176.106 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 17.3 ptpt -58.42 150.39 22.5 Favored 'General case' 0 C--N 1.326 -0.449 0 CA-C-O 121.092 0.473 . . . . 0.0 110.955 176.568 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 58.5 tp -62.27 128.07 34.33 Favored 'General case' 0 C--N 1.323 -0.575 0 CA-C-N 115.481 -0.781 . . . . 0.0 109.97 176.884 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 21.7 t70 -59.96 154.76 18.13 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-O 121.112 0.482 . . . . 0.0 110.536 177.904 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 123.75 -11.12 8.39 Favored Glycine 0 N--CA 1.446 -0.667 0 N-CA-C 109.948 -1.261 . . . . 0.0 109.948 -169.641 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 48' ' ' MET . . . . . . . . . . . . . 15.1 tpt -56.92 127.14 30.31 Favored 'General case' 0 N--CA 1.452 -0.36 0 CA-C-N 114.76 -0.72 . . . . 0.0 109.909 172.727 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 36.0 tt0 -75.76 130.63 38.95 Favored 'General case' 0 C--N 1.32 -0.712 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.525 -179.055 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -83.15 142.65 31.06 Favored 'General case' 0 C--N 1.32 -0.704 0 CA-C-N 115.859 -0.61 . . . . 0.0 109.726 176.394 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -70.66 152.89 43.37 Favored 'General case' 0 C--N 1.323 -0.568 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.655 -178.514 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -71.77 90.2 1.07 Allowed 'General case' 0 C--N 1.323 -0.56 0 CA-C-N 115.848 -0.614 . . . . 0.0 110.702 -179.03 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 64.1 tp -93.17 110.82 22.33 Favored 'General case' 0 C--N 1.323 -0.571 0 CA-C-N 115.855 -0.611 . . . . 0.0 110.781 -178.837 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 54' ' ' ASN . . . . . 0.455 ' HA ' ' O ' ' A' ' 16' ' ' PHE . 10.3 t30 -144.28 99.08 3.32 Favored 'General case' 0 C--N 1.32 -0.703 0 CA-C-N 115.98 -0.555 . . . . 0.0 109.809 178.456 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . 179.48 177.37 47.75 Favored Glycine 0 N--CA 1.446 -0.658 0 CA-C-N 115.811 -0.631 . . . . 0.0 111.715 -179.042 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 56' ' ' SER . . . . . 0.407 ' HA ' ' O ' ' A' ' 14' ' ' LYS . 28.2 p -112.38 111.09 21.69 Favored 'General case' 0 C--N 1.322 -0.613 0 CA-C-N 116.728 0.264 . . . . 0.0 110.934 179.535 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 57' ' ' MET . . . . . 0.519 ' HB2' ' OE1' ' A' ' 61' ' ' GLN . 22.4 ptt? -167.15 -165.53 0.71 Allowed 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.34 -0.391 . . . . 0.0 110.424 178.621 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 57.9 m -89.48 162.01 15.94 Favored 'General case' 0 C--N 1.326 -0.44 0 N-CA-C 111.962 0.356 . . . . 0.0 111.962 -175.067 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 59' ' ' VAL . . . . . . . . . . . . . 61.4 t -64.28 -38.7 83.21 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.217 0 CA-C-N 116.251 -0.432 . . . . 0.0 109.958 178.358 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 60' ' ' GLU . . . . . 0.485 ' O ' ' HG3' ' A' ' 64' ' ' ARG . 24.3 mm-40 -52.07 -34.96 46.04 Favored 'General case' 0 C--N 1.331 -0.204 0 CA-C-N 115.315 -0.857 . . . . 0.0 111.27 177.109 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 61' ' ' GLN . . . . . 0.519 ' OE1' ' HB2' ' A' ' 57' ' ' MET . 79.7 mt-30 -91.03 -40.84 11.41 Favored 'General case' 0 C--N 1.322 -0.63 0 CA-C-N 115.796 -0.638 . . . . 0.0 111.181 -178.061 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . -63.92 -50.16 62.81 Favored Glycine 0 C--O 1.226 -0.354 0 C-N-CA 121.135 -0.555 . . . . 0.0 112.677 -178.633 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 63' ' ' LEU . . . . . 0.481 ' CD1' HD11 ' A' ' 67' ' ' ILE . 0.2 OUTLIER -56.02 -38.86 71.08 Favored 'General case' 0 C--N 1.328 -0.355 0 C-N-CA 122.74 0.416 . . . . 0.0 110.813 -176.478 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 64' ' ' ARG . . . . . 0.485 ' HG3' ' O ' ' A' ' 60' ' ' GLU . 35.8 mtp-105 -55.09 -60.34 3.52 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 115.677 -0.692 . . . . 0.0 111.27 178.102 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 65' ' ' ARG . . . . . 0.479 ' HA ' ' HA2' ' A' ' 69' ' ' GLY . 99.2 mtt180 -73.52 -30.76 63.3 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 115.716 -0.674 . . . . 0.0 111.247 -175.15 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 66' ' ' LEU . . . . . 0.408 HD12 HG22 ' A' ' 18' ' ' ILE . 20.2 tp -62.44 -36.22 81.72 Favored 'General case' 0 C--N 1.325 -0.499 0 CA-C-N 115.877 -0.601 . . . . 0.0 111.091 -177.2 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 67' ' ' ILE . . . . . 0.481 HD11 ' CD1' ' A' ' 63' ' ' LEU . 54.0 mt -90.21 -65.65 0.97 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 C-N-CA 120.524 -0.47 . . . . 0.0 110.874 179.038 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . -117.53 -53.96 0.31 Allowed Glycine 0 N--CA 1.45 -0.399 0 C-N-CA 120.96 -0.638 . . . . 0.0 113.612 -177.177 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 69' ' ' GLY . . . . . 0.479 ' HA2' ' HA ' ' A' ' 65' ' ' ARG . . . 103.24 4.61 47.2 Favored Glycine 0 N--CA 1.45 -0.413 0 N-CA-C 110.571 -1.012 . . . . 0.0 110.571 -168.199 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 70' ' ' ASN . . . . . . . . . . . . . 2.7 m-20 -100.59 159.33 29.95 Favored Pre-proline 0 C--N 1.327 -0.376 0 CA-C-N 115.072 -0.564 . . . . 0.0 110.284 -177.299 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 71' ' ' PRO . . . . . . . . . . . . . 12.5 Cg_exo -70.41 109.34 2.41 Favored 'Trans proline' 0 C--N 1.344 0.335 0 C-N-CA 122.637 2.224 . . . . 0.0 111.019 173.062 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 72' ' ' VAL . . . . . . . . . . . . . 11.6 p -149.4 161.77 4.75 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.555 0 N-CA-C 109.575 -0.528 . . . . 0.0 109.575 -172.226 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 73' ' ' ALA . . . . . 0.492 ' CB ' HD11 ' A' ' 87' ' ' LEU . . . -110.61 118.8 37.2 Favored 'General case' 0 N--CA 1.444 -0.737 0 CA-C-O 121.09 0.471 . . . . 0.0 110.256 -176.635 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 74' ' ' PHE . . . . . . . . . . . . . 13.9 p90 -120.39 119.29 32.65 Favored 'General case' 0 C--N 1.314 -0.977 0 N-CA-C 109.521 -0.548 . . . . 0.0 109.521 179.499 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 75' ' ' ARG . . . . . . . . . . . . . 87.2 mtm180 -87.42 109.06 19.3 Favored 'General case' 0 C--N 1.316 -0.873 0 CA-C-N 115.704 -0.68 . . . . 0.0 110.963 -174.997 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 76' ' ' LEU . . . . . . . . . . . . . 82.0 mt -85.38 98.21 10.43 Favored 'General case' 0 C--N 1.32 -0.675 0 CA-C-N 115.365 -0.834 . . . . 0.0 108.824 174.4 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 77' ' ' GLN . . . . . . . . . . . . . 24.0 mt-30 -76.78 140.69 67.64 Favored Pre-proline 0 C--N 1.322 -0.62 0 CA-C-N 115.957 -0.565 . . . . 0.0 110.511 -176.273 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 78' ' ' PRO . . . . . . . . . . . . . 34.2 Cg_endo -65.48 -6.68 14.1 Favored 'Trans proline' 0 C--N 1.345 0.384 0 C-N-CA 123.162 2.575 . . . . 0.0 111.791 176.783 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 79' ' ' GLN . . . . . . . . . . . . . 77.7 mt-30 -80.77 -2.92 49.05 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 115.669 -0.696 . . . . 0.0 109.826 173.55 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . 84.05 38.88 9.74 Favored Glycine 0 N--CA 1.445 -0.724 0 CA-C-N 115.565 -0.743 . . . . 0.0 112.258 179.53 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 81' ' ' GLN . . . . . 0.501 ' HA ' ' O ' ' A' ' 37' ' ' GLN . 29.0 mm-40 -128.85 140.6 51.62 Favored 'General case' 0 C--N 1.326 -0.428 0 CA-C-N 116.717 0.258 . . . . 0.0 110.85 -178.133 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 82' ' ' ILE . . . . . . . . . . . . . 52.2 mt -108.41 111.71 37.17 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.428 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.246 177.808 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 83' ' ' VAL . . . . . . . . . . . . . 49.0 t -117.86 112.09 37.12 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 CA-C-N 116.432 -0.349 . . . . 0.0 110.829 -179.371 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 84' ' ' LEU . . . . . . . . . . . . . 26.7 tp -78.28 142.46 37.79 Favored 'General case' 0 C--N 1.324 -0.511 0 N-CA-C 109.407 -0.59 . . . . 0.0 109.407 176.847 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 85' ' ' SER . . . . . . . . . . . . . 41.2 m -152.08 172.57 16.11 Favored 'General case' 0 N--CA 1.448 -0.571 0 CA-C-O 121.049 0.452 . . . . 0.0 110.458 -176.802 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 86' ' ' ARG . . . . . . . . . . . . . 48.2 ttp180 -122.89 133.42 54.41 Favored 'General case' 0 C--N 1.318 -0.766 0 N-CA-C 109.177 -0.675 . . . . 0.0 109.177 177.709 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 87' ' ' LEU . . . . . 0.492 HD11 ' CB ' ' A' ' 73' ' ' ALA . 15.0 mt . . . . . 0 C--N 1.317 -0.826 0 CA-C-N 116.383 -0.372 . . . . 0.0 111.015 -175.557 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 26.9 tp60 . . . . . 0 N--CA 1.455 -0.223 0 CA-C-O 120.893 0.378 . . . . 0.0 110.365 . . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 85.7 mt-30 -89.79 146.06 24.74 Favored 'General case' 0 C--N 1.323 -0.583 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.575 178.153 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 14' ' ' LYS . . . . . 0.487 ' HB2' ' CZ ' ' A' ' 16' ' ' PHE . 35.0 mmtp -130.72 156.85 44.25 Favored 'General case' 0 C--N 1.324 -0.512 0 N-CA-C 109.614 -0.513 . . . . 0.0 109.614 177.073 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 15' ' ' ASN . . . . . . . . . . . . . 81.8 m-20 -81.79 99.75 9.16 Favored 'General case' 0 C--N 1.325 -0.494 0 CA-C-N 116.336 -0.393 . . . . 0.0 110.336 -179.254 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 16' ' ' PHE . . . . . 0.487 ' CZ ' ' HB2' ' A' ' 14' ' ' LYS . 47.0 m-85 -104.64 141.06 37.1 Favored 'General case' 0 C--N 1.324 -0.514 0 CA-C-O 120.964 0.411 . . . . 0.0 110.687 -179.632 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 5.4 t30 -150.98 98.71 2.62 Favored 'General case' 0 C--N 1.323 -0.557 0 CA-C-N 116.002 -0.544 . . . . 0.0 109.733 177.85 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 18' ' ' ILE . . . . . . . . . . . . . 35.6 mt -128.37 117.46 45.31 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.533 0 CA-C-O 120.755 0.312 . . . . 0.0 110.894 -176.07 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -64.32 142.15 58.52 Favored 'General case' 0 C--N 1.327 -0.413 0 N-CA-C 109.24 -0.652 . . . . 0.0 109.24 172.328 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -63.51 103.99 0.59 Allowed 'General case' 0 C--N 1.328 -0.367 0 CA-C-O 121.356 0.598 . . . . 0.0 111.088 -175.318 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 21' ' ' GLN . . . . . . . . . . . . . 79.3 mt-30 -103.92 173.72 3.22 Favored Pre-proline 0 C--N 1.321 -0.642 0 CA-C-N 115.032 -0.985 . . . . 0.0 109.748 176.468 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 22' ' ' PRO . . . . . 0.432 ' HA ' ' O ' ' A' ' 48' ' ' MET . 47.5 Cg_exo -57.57 135.44 69.61 Favored 'Trans proline' 0 N--CA 1.46 -0.454 0 C-N-CA 121.559 1.506 . . . . 0.0 110.22 167.097 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 54.8 tp -48.59 -44.41 36.9 Favored 'General case' 0 C--O 1.237 0.423 0 N-CA-C 112.304 0.483 . . . . 0.0 112.304 -168.931 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 24' ' ' GLN . . . . . 0.438 ' O ' ' HB2' ' A' ' 28' ' ' LEU . 49.4 mt-30 -61.61 -33.33 73.73 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.596 -179.493 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 32.7 t -87.87 -28.1 21.79 Favored 'General case' 0 C--N 1.325 -0.486 0 CA-C-O 120.91 0.386 . . . . 0.0 110.247 179.444 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -61.76 -56.4 19.96 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 115.944 -0.571 . . . . 0.0 110.872 179.93 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 27' ' ' MET . . . . . 0.753 ' SD ' ' HB ' ' A' ' 38' ' ' VAL . 35.7 mtt -71.52 -24.65 62.0 Favored 'General case' 0 C--O 1.217 -0.644 0 CA-C-N 116.268 -0.423 . . . . 0.0 110.456 178.954 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 28' ' ' LEU . . . . . 0.438 ' HB2' ' O ' ' A' ' 24' ' ' GLN . 9.6 tt -56.84 -36.09 69.61 Favored 'General case' 0 C--N 1.319 -0.73 0 N-CA-C 109.649 -0.5 . . . . 0.0 109.649 176.1 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 29.2 mmm180 -70.37 -55.72 8.42 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 115.947 -0.569 . . . . 0.0 111.686 179.888 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 21.0 t80 -80.4 -49.91 10.83 Favored 'General case' 0 C--N 1.327 -0.397 0 N-CA-C 112.176 0.436 . . . . 0.0 112.176 -175.56 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -65.77 -26.78 67.87 Favored 'General case' 0 C--N 1.323 -0.584 0 CA-C-N 116.352 -0.386 . . . . 0.0 111.994 -170.444 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 7.5 pt-20 -62.21 -32.14 72.77 Favored 'General case' 0 N--CA 1.465 0.304 0 C-N-CA 120.065 -0.654 . . . . 0.0 110.374 176.422 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 33' ' ' GLN . . . . . . . . . . . . . 48.4 mt-30 -77.65 -14.25 59.68 Favored 'General case' 0 C--N 1.331 -0.239 0 CA-C-O 121.324 0.583 . . . . 0.0 109.855 178.373 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -106.88 5.93 28.86 Favored 'General case' 0 C--N 1.325 -0.489 0 CA-C-N 115.622 -0.717 . . . . 0.0 110.841 178.764 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 67.9 32.96 78.43 Favored Glycine 0 CA--C 1.519 0.323 0 CA-C-N 116.004 -0.543 . . . . 0.0 112.796 178.09 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 36' ' ' MET . . . . . . . . . . . . . 73.8 mtm -139.3 175.04 9.9 Favored 'General case' 0 C--N 1.323 -0.569 0 CA-C-O 120.776 0.322 . . . . 0.0 110.612 -178.866 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 37' ' ' GLN . . . . . . . . . . . . . 54.4 tt0 -150.8 158.41 44.12 Favored 'General case' 0 C--N 1.322 -0.608 0 N-CA-C 108.596 -0.89 . . . . 0.0 108.596 177.004 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 38' ' ' VAL . . . . . 0.753 ' HB ' ' SD ' ' A' ' 27' ' ' MET . 2.9 p -77.23 127.67 38.11 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.395 0 CA-C-O 121.212 0.529 . . . . 0.0 110.936 -176.092 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 39' ' ' PHE . . . . . 0.4 ' HB3' ' CG1' ' A' ' 83' ' ' VAL . 37.3 t80 -119.2 139.54 51.68 Favored 'General case' 0 C--N 1.324 -0.514 0 CA-C-N 115.582 -0.735 . . . . 0.0 109.508 -178.61 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 40' ' ' PHE . . . . . . . . . . . . . 25.3 p90 -143.25 131.77 22.34 Favored 'General case' 0 C--N 1.32 -0.677 0 CA-C-O 121.114 0.483 . . . . 0.0 110.601 -178.454 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 6.3 m-20 -82.36 -70.6 0.54 Allowed 'General case' 0 CA--C 1.515 -0.396 0 CA-C-N 115.53 -0.759 . . . . 0.0 110.57 -179.721 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 35.7 mt-10 -115.96 86.58 2.51 Favored 'General case' 0 C--N 1.319 -0.736 0 CA-C-N 115.801 -0.636 . . . . 0.0 109.838 -179.333 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 43' ' ' VAL . . . . . . . . . . . . . 98.4 t -145.24 109.99 1.04 Allowed 'Isoleucine or valine' 0 C--N 1.323 -0.568 0 CA-C-N 115.357 -0.838 . . . . 0.0 109.255 178.787 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 25.9 ttpp -125.9 88.69 2.9 Favored 'General case' 0 C--N 1.321 -0.637 0 CA-C-O 121.223 0.535 . . . . 0.0 110.062 -179.356 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 4.3 tt -140.97 99.82 3.68 Favored 'General case' 0 C--N 1.32 -0.68 0 N-CA-C 108.192 -1.04 . . . . 0.0 108.192 176.94 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 17.1 m-20 -64.01 116.39 5.83 Favored 'General case' 0 C--N 1.322 -0.602 0 CA-C-N 115.695 -0.684 . . . . 0.0 110.814 -176.224 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 86.16 22.06 49.91 Favored Glycine 0 N--CA 1.448 -0.554 0 C-N-CA 120.964 -0.636 . . . . 0.0 112.554 179.151 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 48' ' ' MET . . . . . 0.432 ' O ' ' HA ' ' A' ' 22' ' ' PRO . 27.6 ttt -50.42 120.07 4.28 Favored 'General case' 0 N--CA 1.465 0.302 0 C-N-CA 122.687 0.395 . . . . 0.0 110.905 -179.902 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 28.5 tt0 -106.0 147.56 28.71 Favored 'General case' 0 C--N 1.324 -0.519 0 CA-C-O 120.804 0.335 . . . . 0.0 110.742 -174.904 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -88.21 -169.42 2.56 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-N 116.006 -0.543 . . . . 0.0 110.406 177.198 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -105.36 174.46 5.87 Favored 'General case' 0 C--N 1.325 -0.499 0 CA-C-O 120.844 0.354 . . . . 0.0 110.76 -178.95 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -77.17 93.41 3.92 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.078 -0.51 . . . . 0.0 111.077 -179.714 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 53' ' ' LEU . . . . . 0.439 ' C ' HD11 ' A' ' 53' ' ' LEU . 3.4 tm? -82.99 108.64 16.45 Favored 'General case' 0 C--N 1.324 -0.522 0 CA-C-N 115.79 -0.641 . . . . 0.0 110.001 179.318 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 54' ' ' ASN . . . . . . . . . . . . . 17.3 m120 -144.22 99.09 3.32 Favored 'General case' 0 C--N 1.325 -0.499 0 N-CA-C 109.57 -0.53 . . . . 0.0 109.57 176.53 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . 178.86 159.84 23.83 Favored Glycine 0 N--CA 1.449 -0.436 0 C-N-CA 119.893 -1.146 . . . . 0.0 113.222 -179.771 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 22.8 t -102.91 99.64 9.57 Favored 'General case' 0 C--N 1.323 -0.577 0 N-CA-C 109.174 -0.676 . . . . 0.0 109.174 175.024 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 57' ' ' MET . . . . . . . . . . . . . 18.0 ptp -151.21 -175.99 5.38 Favored 'General case' 0 C--N 1.323 -0.546 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.518 -175.558 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 15.2 m -87.35 177.65 7.07 Favored 'General case' 0 C--N 1.322 -0.595 0 C-N-CA 121.229 -0.188 . . . . 0.0 110.635 -177.881 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 59' ' ' VAL . . . . . . . . . . . . . 9.7 p -63.03 -39.14 84.08 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.386 0 CA-C-O 120.96 0.41 . . . . 0.0 110.419 -178.143 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 60' ' ' GLU . . . . . 0.548 ' HA ' ' CZ ' ' A' ' 74' ' ' PHE . 2.6 mp0 -58.05 -59.51 5.17 Favored 'General case' 0 C--N 1.325 -0.48 0 CA-C-N 115.515 -0.766 . . . . 0.0 111.378 -179.988 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 61' ' ' GLN . . . . . . . . . . . . . 15.6 mm100 -68.85 -35.71 77.27 Favored 'General case' 0 C--N 1.324 -0.543 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.462 -177.905 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . -61.6 -55.41 28.94 Favored Glycine 0 N--CA 1.445 -0.736 0 CA-C-N 115.906 -0.588 . . . . 0.0 112.321 -179.345 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 3.0 mm? -58.68 -40.7 84.29 Favored 'General case' 0 C--N 1.329 -0.322 0 N-CA-C 111.825 0.305 . . . . 0.0 111.825 -177.5 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 64' ' ' ARG . . . . . . . . . . . . . 82.7 mtt180 -63.48 -41.58 98.57 Favored 'General case' 0 C--N 1.325 -0.476 0 CA-C-N 116.66 -0.246 . . . . 0.0 111.06 -178.877 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 65' ' ' ARG . . . . . 0.534 ' HA ' ' HA2' ' A' ' 69' ' ' GLY . 87.8 mtt180 -80.2 -27.27 38.88 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-O 120.889 0.375 . . . . 0.0 111.062 179.176 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 6.7 tt -66.24 -48.95 68.89 Favored 'General case' 0 C--N 1.325 -0.483 0 CA-C-N 115.456 -0.793 . . . . 0.0 110.914 -178.665 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 67' ' ' ILE . . . . . . . . . . . . . 44.1 mt -79.52 -63.58 1.1 Allowed 'Isoleucine or valine' 0 C--N 1.323 -0.587 0 CA-C-N 116.13 -0.486 . . . . 0.0 111.584 -172.98 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . -114.48 -42.74 0.8 Allowed Glycine 0 N--CA 1.451 -0.333 0 C-N-CA 120.514 -0.851 . . . . 0.0 113.359 -176.869 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 69' ' ' GLY . . . . . 0.534 ' HA2' ' HA ' ' A' ' 65' ' ' ARG . . . 105.78 -8.23 42.8 Favored Glycine 0 N--CA 1.448 -0.546 0 C-N-CA 121.033 -0.603 . . . . 0.0 111.962 -171.126 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 70' ' ' ASN . . . . . . . . . . . . . 84.1 m-20 -100.6 156.41 35.23 Favored Pre-proline 0 C--N 1.328 -0.341 0 CA-C-O 120.659 0.266 . . . . 0.0 110.497 -179.353 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 71' ' ' PRO . . . . . . . . . . . . . 2.7 Cg_exo -75.67 99.34 1.26 Allowed 'Trans proline' 0 N--CA 1.462 -0.382 0 C-N-CA 122.812 2.342 . . . . 0.0 111.879 177.837 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 72' ' ' VAL . . . . . . . . . . . . . 2.3 t -138.57 160.73 31.01 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.543 0 N-CA-C 107.515 -1.291 . . . . 0.0 107.515 179.189 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -105.96 119.59 39.58 Favored 'General case' 0 N--CA 1.445 -0.693 0 C-N-CA 120.454 -0.498 . . . . 0.0 111.402 -166.019 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 74' ' ' PHE . . . . . 0.548 ' CZ ' ' HA ' ' A' ' 60' ' ' GLU . 21.2 p90 -110.19 146.38 35.65 Favored 'General case' 0 C--N 1.314 -0.948 0 N-CA-C 109.238 -0.653 . . . . 0.0 109.238 178.237 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 75' ' ' ARG . . . . . 0.403 HH11 ' HD2' ' A' ' 75' ' ' ARG . 53.5 mtm180 -119.32 111.46 18.21 Favored 'General case' 0 C--N 1.315 -0.91 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.319 -177.048 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 76' ' ' LEU . . . . . . . . . . . . . 51.3 mt -78.04 99.2 6.01 Favored 'General case' 0 C--N 1.326 -0.446 0 N-CA-C 109.391 -0.596 . . . . 0.0 109.391 178.507 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 77' ' ' GLN . . . . . 0.47 ' C ' ' H ' ' A' ' 79' ' ' GLN . 85.4 mm-40 -78.53 135.94 60.25 Favored Pre-proline 0 C--N 1.32 -0.69 0 CA-C-N 115.905 -0.589 . . . . 0.0 110.832 -176.004 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 78' ' ' PRO . . . . . . . . . . . . . 17.0 Cg_exo -68.11 9.4 0.38 Allowed 'Trans proline' 0 C--N 1.347 0.499 0 C-N-CA 123.271 2.648 . . . . 0.0 112.034 175.33 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 79' ' ' GLN . . . . . 0.47 ' H ' ' C ' ' A' ' 77' ' ' GLN . 14.8 mt-30 -99.26 11.89 37.77 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-N 115.511 -0.768 . . . . 0.0 109.85 179.094 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . 76.28 35.5 42.68 Favored Glycine 0 N--CA 1.451 -0.312 0 CA-C-N 115.855 -0.611 . . . . 0.0 112.047 -177.936 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 81' ' ' GLN . . . . . . . . . . . . . 75.7 mt-30 -135.6 127.09 28.7 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-O 120.775 0.322 . . . . 0.0 111.742 -173.949 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 82' ' ' ILE . . . . . . . . . . . . . 48.2 mt -102.82 108.85 25.15 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.705 0 N-CA-C 109.0 -0.741 . . . . 0.0 109.0 171.06 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 83' ' ' VAL . . . . . 0.4 ' CG1' ' HB3' ' A' ' 39' ' ' PHE . 18.9 m -117.06 141.66 34.41 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.603 0 CA-C-N 116.337 -0.392 . . . . 0.0 110.63 -179.552 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 84' ' ' LEU . . . . . 0.454 HD23 ' N ' ' A' ' 85' ' ' SER . 2.4 tt -107.55 137.66 45.17 Favored 'General case' 0 C--N 1.318 -0.799 0 N-CA-C 109.271 -0.64 . . . . 0.0 109.271 -179.175 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 85' ' ' SER . . . . . 0.454 ' N ' HD23 ' A' ' 84' ' ' LEU . 14.6 m -126.27 138.71 53.63 Favored 'General case' 0 N--CA 1.444 -0.769 0 N-CA-C 109.911 -0.403 . . . . 0.0 109.911 -177.618 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 86' ' ' ARG . . . . . . . . . . . . . 15.3 tpp180 -79.86 73.2 6.63 Favored 'General case' 0 C--N 1.324 -0.527 0 CA-C-O 121.654 0.74 . . . . 0.0 109.576 -179.18 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 87' ' ' LEU . . . . . . . . . . . . . 37.2 mt . . . . . 0 C--N 1.32 -0.704 0 CA-C-N 114.991 -1.004 . . . . 0.0 110.108 -176.253 . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 13.6 pt20 . . . . . 0 N--CA 1.453 -0.292 0 CA-C-O 121.158 0.504 . . . . 0.0 110.989 . . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' A' A ' 13' ' ' GLN . . . . . 0.458 ' HG2' ' O ' ' A' ' 13' ' ' GLN . 5.1 pm0 -80.7 102.21 9.75 Favored 'General case' 0 C--N 1.323 -0.545 0 CA-C-O 121.773 0.797 . . . . 0.0 110.46 178.853 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 74.4 mmtt -109.54 137.13 47.82 Favored 'General case' 0 C--N 1.32 -0.699 0 CA-C-N 115.52 -0.764 . . . . 0.0 109.328 178.638 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 15' ' ' ASN . . . . . 0.441 ' HA ' ' HA ' ' A' ' 56' ' ' SER . 6.4 p30 -83.53 118.41 23.77 Favored 'General case' 0 C--N 1.32 -0.676 0 CA-C-O 121.223 0.535 . . . . 0.0 110.932 -179.169 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 16' ' ' PHE . . . . . 0.42 ' O ' ' HA ' ' A' ' 54' ' ' ASN . 94.0 m-85 -116.1 141.72 47.76 Favored 'General case' 0 C--N 1.321 -0.666 0 CA-C-N 115.876 -0.602 . . . . 0.0 110.353 179.339 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 9.9 t30 -138.72 95.5 2.98 Favored 'General case' 0 C--N 1.321 -0.642 0 N-CA-C 109.421 -0.585 . . . . 0.0 109.421 176.328 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 18' ' ' ILE . . . . . 0.411 ' HB ' ' HB3' ' A' ' 53' ' ' LEU . 13.2 mm -117.74 121.59 67.78 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.769 0 CA-C-N 115.955 -0.566 . . . . 0.0 109.824 -175.938 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -67.39 146.31 54.18 Favored 'General case' 0 C--N 1.325 -0.489 0 N-CA-C 109.095 -0.705 . . . . 0.0 109.095 174.091 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -68.4 101.51 1.24 Allowed 'General case' 0 N--CA 1.452 -0.338 0 CA-C-O 121.562 0.696 . . . . 0.0 110.573 -175.305 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 21' ' ' GLN . . . . . . . . . . . . . 33.2 mt-30 -107.23 170.67 5.39 Favored Pre-proline 0 C--N 1.317 -0.837 0 CA-C-N 114.557 -1.201 . . . . 0.0 110.111 178.039 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 22' ' ' PRO . . . . . . . . . . . . . 51.3 Cg_exo -56.03 136.88 77.16 Favored 'Trans proline' 0 C--N 1.346 0.401 0 C-N-CA 121.632 1.554 . . . . 0.0 109.547 166.18 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 23' ' ' LEU . . . . . 0.49 ' N ' ' HA ' ' A' ' 49' ' ' GLN . 0.9 OUTLIER -53.0 -41.5 64.71 Favored 'General case' 0 C--N 1.325 -0.458 0 N-CA-C 112.954 0.724 . . . . 0.0 112.954 -166.286 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 52.6 mt-30 -65.98 -39.16 90.12 Favored 'General case' 0 C--N 1.325 -0.497 0 CA-C-O 120.75 0.309 . . . . 0.0 111.005 -179.811 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 18.0 m -76.99 -30.72 56.06 Favored 'General case' 0 C--N 1.325 -0.467 0 CA-C-O 121.034 0.445 . . . . 0.0 110.594 179.266 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -62.58 -51.94 65.35 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 115.75 -0.659 . . . . 0.0 110.794 178.995 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 27' ' ' MET . . . . . 0.471 ' HE1' ' HB3' ' A' ' 66' ' ' LEU . 26.5 mmt -70.41 -23.91 62.83 Favored 'General case' 0 C--N 1.323 -0.557 0 CA-C-N 115.396 -0.82 . . . . 0.0 110.82 -178.574 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 28' ' ' LEU . . . . . 0.53 ' O ' ' HB3' ' A' ' 32' ' ' GLU . 8.4 tt -61.58 -32.29 72.38 Favored 'General case' 0 C--N 1.322 -0.608 0 N-CA-C 109.072 -0.714 . . . . 0.0 109.072 175.1 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 29' ' ' ARG . . . . . 0.512 ' O ' ' HG2' ' A' ' 32' ' ' GLU . 21.5 mmt180 -85.72 -47.57 9.65 Favored 'General case' 0 C--N 1.332 -0.184 0 CA-C-N 116.116 -0.493 . . . . 0.0 111.766 179.523 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 8.3 t80 -67.15 -52.36 42.5 Favored 'General case' 0 C--N 1.32 -0.687 0 CA-C-O 121.385 0.612 . . . . 0.0 111.067 -179.834 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -77.69 -17.73 57.36 Favored 'General case' 0 C--N 1.318 -0.794 0 CA-C-N 115.722 -0.672 . . . . 0.0 112.201 -171.136 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 32' ' ' GLU . . . . . 0.53 ' HB3' ' O ' ' A' ' 28' ' ' LEU . 13.8 pt-20 -63.64 -29.6 70.82 Favored 'General case' 0 N--CA 1.467 0.413 0 C-N-CA 120.125 -0.63 . . . . 0.0 109.97 176.845 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 33' ' ' GLN . . . . . . . . . . . . . 74.0 mt-30 -79.19 -30.15 43.24 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 115.722 -0.672 . . . . 0.0 110.117 178.141 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -92.34 1.07 57.45 Favored 'General case' 0 C--N 1.326 -0.453 0 CA-C-N 115.744 -0.662 . . . . 0.0 111.714 -177.062 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 69.72 38.89 77.51 Favored Glycine 0 C--N 1.332 0.314 0 C-N-CA 121.084 -0.579 . . . . 0.0 112.216 -179.771 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 36' ' ' MET . . . . . . . . . . . . . 51.3 mtp -141.3 174.73 10.26 Favored 'General case' 0 C--N 1.324 -0.508 0 N-CA-C 110.167 -0.308 . . . . 0.0 110.167 -175.226 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 37' ' ' GLN . . . . . . . . . . . . . 41.9 tt0 -154.86 154.42 32.67 Favored 'General case' 0 C--N 1.326 -0.44 0 N-CA-C 109.135 -0.691 . . . . 0.0 109.135 172.04 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 38' ' ' VAL . . . . . 0.407 ' HB ' ' HG3' ' A' ' 27' ' ' MET . 7.4 p -90.6 146.35 6.31 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.398 0 CA-C-O 120.877 0.37 . . . . 0.0 111.412 -174.622 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 39' ' ' PHE . . . . . . . . . . . . . 65.2 t80 -138.88 134.9 33.89 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.041 -0.527 . . . . 0.0 109.957 -179.793 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 40' ' ' PHE . . . . . . . . . . . . . 51.1 m-85 -117.44 179.17 4.13 Favored 'General case' 0 C--N 1.324 -0.51 0 CA-C-N 116.306 -0.406 . . . . 0.0 110.542 -177.796 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 3.9 m-20 -68.87 155.56 40.03 Favored 'General case' 0 C--N 1.324 -0.501 0 N-CA-C 109.552 -0.536 . . . . 0.0 109.552 173.18 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 48.5 mt-10 -75.91 87.86 2.89 Favored 'General case' 0 C--N 1.324 -0.533 0 N-CA-C 109.479 -0.563 . . . . 0.0 109.479 176.566 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 43' ' ' VAL . . . . . . . . . . . . . 23.9 m -138.96 147.84 24.5 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.643 0 CA-C-N 115.597 -0.729 . . . . 0.0 110.295 -179.24 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 21.6 ttmm -91.85 88.96 6.84 Favored 'General case' 0 C--N 1.317 -0.817 0 N-CA-C 109.145 -0.687 . . . . 0.0 109.145 177.412 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 51.1 tp -136.81 133.68 36.19 Favored 'General case' 0 C--N 1.324 -0.529 0 CA-C-N 115.96 -0.564 . . . . 0.0 111.099 -173.72 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 15.6 m-20 -111.14 155.83 22.29 Favored 'General case' 0 C--N 1.323 -0.578 0 CA-C-N 115.885 -0.598 . . . . 0.0 110.513 174.724 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 112.07 -0.97 26.99 Favored Glycine 0 N--CA 1.45 -0.373 0 C-N-CA 120.833 -0.699 . . . . 0.0 112.665 177.446 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 48' ' ' MET . . . . . . . . . . . . . 71.2 mtm -79.29 118.62 21.38 Favored 'General case' 0 C--N 1.325 -0.488 0 N-CA-C 109.807 -0.442 . . . . 0.0 109.807 -179.875 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 49' ' ' GLN . . . . . 0.49 ' HA ' ' N ' ' A' ' 23' ' ' LEU . 4.1 pt20 -154.18 160.73 42.01 Favored 'General case' 0 C--N 1.322 -0.618 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.436 -176.964 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 50' ' ' ALA . . . . . 0.402 ' HA ' ' O ' ' A' ' 66' ' ' LEU . . . -90.81 158.58 16.75 Favored 'General case' 0 C--N 1.321 -0.634 0 CA-C-N 115.677 -0.692 . . . . 0.0 110.472 -179.473 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -89.67 -176.96 5.16 Favored 'General case' 0 C--N 1.323 -0.578 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.363 177.418 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -72.6 90.67 1.37 Allowed 'General case' 0 C--N 1.328 -0.343 0 CA-C-O 121.443 0.64 . . . . 0.0 110.344 178.53 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 53' ' ' LEU . . . . . 0.411 ' HB3' ' HB ' ' A' ' 18' ' ' ILE . 1.1 tm? -83.05 112.18 19.55 Favored 'General case' 0 C--N 1.321 -0.663 0 CA-C-N 115.356 -0.838 . . . . 0.0 110.416 -176.053 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 54' ' ' ASN . . . . . 0.42 ' HA ' ' O ' ' A' ' 16' ' ' PHE . 26.5 t-20 -155.19 105.33 2.5 Favored 'General case' 0 C--N 1.324 -0.5 0 N-CA-C 109.577 -0.527 . . . . 0.0 109.577 174.889 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . 178.55 158.62 21.51 Favored Glycine 0 N--CA 1.45 -0.411 0 C-N-CA 120.309 -0.948 . . . . 0.0 112.872 179.567 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 56' ' ' SER . . . . . 0.441 ' HA ' ' HA ' ' A' ' 15' ' ' ASN . 21.7 m -96.82 104.31 16.3 Favored 'General case' 0 C--N 1.329 -0.316 0 N-CA-C 109.486 -0.561 . . . . 0.0 109.486 174.793 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 57' ' ' MET . . . . . . . . . . . . . 11.8 ptt? -156.3 178.93 9.74 Favored 'General case' 0 C--N 1.322 -0.608 0 CA-C-N 116.145 -0.48 . . . . 0.0 111.129 -171.6 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 39.5 m -95.73 -174.91 3.28 Favored 'General case' 0 C--N 1.324 -0.542 0 CA-C-N 116.309 -0.405 . . . . 0.0 110.965 -179.312 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 59' ' ' VAL . . . . . . . . . . . . . 16.5 t -57.67 -46.47 86.61 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.187 0 CA-C-N 116.504 -0.316 . . . . 0.0 110.878 -176.484 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 60' ' ' GLU . . . . . 0.502 ' O ' ' HG3' ' A' ' 64' ' ' ARG . 3.3 mp0 -56.66 -62.27 1.85 Allowed 'General case' 0 C--N 1.323 -0.557 0 CA-C-N 116.042 -0.527 . . . . 0.0 111.348 -176.837 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 61' ' ' GLN . . . . . 0.494 ' OE1' ' HD2' ' A' ' 64' ' ' ARG . 15.0 mm100 -60.22 -37.52 80.57 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.436 -0.347 . . . . 0.0 111.426 -179.296 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . -58.98 -51.9 56.51 Favored Glycine 0 N--CA 1.448 -0.517 0 C-N-CA 120.83 -0.7 . . . . 0.0 111.867 178.088 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 63' ' ' LEU . . . . . 0.45 ' HA ' ' HB2' ' A' ' 66' ' ' LEU . 4.0 mm? -65.81 -39.15 90.61 Favored 'General case' 0 C--N 1.324 -0.518 0 CA-C-O 120.746 0.308 . . . . 0.0 111.496 -179.834 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 64' ' ' ARG . . . . . 0.502 ' HG3' ' O ' ' A' ' 60' ' ' GLU . 92.8 mtt180 -54.3 -43.35 71.01 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-N 116.145 -0.479 . . . . 0.0 111.566 178.332 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 65' ' ' ARG . . . . . . . . . . . . . 64.0 mtp180 -80.31 -16.67 54.09 Favored 'General case' 0 C--N 1.324 -0.513 0 CA-C-O 120.994 0.426 . . . . 0.0 111.166 178.754 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 66' ' ' LEU . . . . . 0.471 ' HB3' ' HE1' ' A' ' 27' ' ' MET . 8.2 mt -87.08 -48.68 7.88 Favored 'General case' 0 C--N 1.321 -0.672 0 CA-C-N 115.938 -0.573 . . . . 0.0 112.387 -175.158 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 67' ' ' ILE . . . . . . . . . . . . . 57.8 mt -90.46 -64.8 1.1 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 N-CA-C 113.431 0.9 . . . . 0.0 113.431 -168.647 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 68' ' ' GLY . . . . . 0.438 ' C ' ' H ' ' A' ' 70' ' ' ASN . . . -113.77 -62.32 0.42 Allowed Glycine 0 N--CA 1.447 -0.619 0 C-N-CA 119.152 -1.499 . . . . 0.0 114.958 -167.303 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . 83.81 -21.92 8.72 Favored Glycine 0 N--CA 1.45 -0.427 0 N-CA-C 110.204 -1.159 . . . . 0.0 110.204 -165.512 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 70' ' ' ASN . . . . . 0.438 ' H ' ' C ' ' A' ' 68' ' ' GLY . 14.0 m120 -102.15 161.67 22.68 Favored Pre-proline 0 C--N 1.33 -0.257 0 N-CA-C 109.219 -0.66 . . . . 0.0 109.219 173.491 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 71' ' ' PRO . . . . . . . . . . . . . 24.3 Cg_exo -64.01 97.37 0.23 Allowed 'Trans proline' 0 C--N 1.348 0.515 0 C-N-CA 122.216 1.944 . . . . 0.0 112.602 179.872 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 72' ' ' VAL . . . . . . . . . . . . . 14.1 t -141.49 151.23 19.41 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.341 0 N-CA-C 107.107 -1.442 . . . . 0.0 107.107 175.027 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -103.48 125.69 50.2 Favored 'General case' 0 C--N 1.321 -0.643 0 CA-C-N 118.622 0.647 . . . . 0.0 111.952 -170.151 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 74' ' ' PHE . . . . . . . . . . . . . 24.9 p90 -109.32 123.48 49.36 Favored 'General case' 0 C--N 1.324 -0.533 0 N-CA-C 109.498 -0.556 . . . . 0.0 109.498 174.879 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 75' ' ' ARG . . . . . . . . . . . . . 39.1 ttm180 -109.59 115.89 30.74 Favored 'General case' 0 C--N 1.319 -0.751 0 CA-C-N 115.932 -0.576 . . . . 0.0 110.422 -176.635 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 76' ' ' LEU . . . . . . . . . . . . . 2.2 mm? -81.95 99.58 9.18 Favored 'General case' 0 C--N 1.325 -0.482 0 CA-C-N 115.942 -0.572 . . . . 0.0 110.223 -179.388 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 77' ' ' GLN . . . . . . . . . . . . . 79.6 mm-40 -76.49 130.89 75.69 Favored Pre-proline 0 C--N 1.321 -0.639 0 CA-C-N 116.036 -0.529 . . . . 0.0 110.062 177.368 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 78' ' ' PRO . . . . . . . . . . . . . 37.9 Cg_endo -66.26 -0.84 4.61 Favored 'Trans proline' 0 C--N 1.343 0.24 0 C-N-CA 122.817 2.345 . . . . 0.0 112.096 178.851 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 79' ' ' GLN . . . . . . . . . . . . . 45.1 mt-30 -87.01 -0.42 56.6 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-N 115.418 -0.81 . . . . 0.0 109.999 176.01 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . 90.05 33.87 8.62 Favored Glycine 0 N--CA 1.448 -0.534 0 CA-C-N 115.767 -0.651 . . . . 0.0 112.257 179.074 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 81' ' ' GLN . . . . . . . . . . . . . 16.1 mm100 -132.22 134.76 45.72 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-O 120.975 0.416 . . . . 0.0 111.309 -176.695 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 82' ' ' ILE . . . . . . . . . . . . . 34.3 mt -101.54 98.92 7.44 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.575 0 N-CA-C 109.19 -0.67 . . . . 0.0 109.19 175.008 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 83' ' ' VAL . . . . . . . . . . . . . 47.9 t -92.86 115.68 32.25 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.706 0 CA-C-O 120.837 0.351 . . . . 0.0 110.473 -176.909 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 84' ' ' LEU . . . . . . . . . . . . . 31.3 tp -86.75 117.44 25.5 Favored 'General case' 0 C--N 1.324 -0.534 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.267 178.935 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 85' ' ' SER . . . . . . . . . . . . . 19.2 m -106.54 133.36 51.33 Favored 'General case' 0 C--N 1.32 -0.717 0 CA-C-N 116.255 -0.43 . . . . 0.0 109.981 -179.322 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 86' ' ' ARG . . . . . . . . . . . . . 99.7 mtt180 -81.41 70.49 8.28 Favored 'General case' 0 C--N 1.325 -0.491 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.243 -177.796 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 87' ' ' LEU . . . . . . . . . . . . . 8.9 mp . . . . . 0 C--N 1.325 -0.497 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.056 174.707 . . . . . . . . 0 0 . 1 . 009 nuclear orig core ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 34.8 tt0 . . . . . 0 N--CA 1.453 -0.279 0 CA-C-O 121.037 0.446 . . . . 0.0 109.991 . . . . . . . . . 0 0 . 1 . 009 nuclear orig core ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 6.1 pt20 -127.2 140.64 52.1 Favored 'General case' 0 C--N 1.319 -0.75 0 CA-C-N 116.077 -0.51 . . . . 0.0 110.681 179.761 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 14' ' ' LYS . . . . . 0.423 ' O ' ' HA ' ' A' ' 56' ' ' SER . 34.0 mmtp -112.22 154.28 25.81 Favored 'General case' 0 C--N 1.323 -0.569 0 CA-C-N 115.853 -0.612 . . . . 0.0 109.702 -179.143 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 15' ' ' ASN . . . . . . . . . . . . . 13.3 t-20 -87.04 106.48 17.87 Favored 'General case' 0 C--N 1.322 -0.607 0 CA-C-N 116.343 -0.389 . . . . 0.0 110.122 -179.068 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 16' ' ' PHE . . . . . 0.474 ' O ' ' HA ' ' A' ' 54' ' ' ASN . 33.1 m-85 -102.42 135.9 43.21 Favored 'General case' 0 C--N 1.325 -0.47 0 CA-C-N 116.371 -0.377 . . . . 0.0 110.747 -178.02 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 48.7 m-80 -128.81 89.89 2.96 Favored 'General case' 0 C--N 1.325 -0.462 0 CA-C-O 121.213 0.53 . . . . 0.0 109.686 177.287 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 18' ' ' ILE . . . . . . . . . . . . . 19.6 mm -117.78 105.61 18.31 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.698 0 CA-C-N 115.807 -0.633 . . . . 0.0 110.436 -175.66 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -69.68 147.78 50.14 Favored 'General case' 0 C--N 1.323 -0.575 0 N-CA-C 108.295 -1.002 . . . . 0.0 108.295 170.945 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -65.62 102.97 0.79 Allowed 'General case' 0 C--N 1.33 -0.257 0 CA-C-O 121.476 0.655 . . . . 0.0 110.897 -173.295 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 21' ' ' GLN . . . . . . . . . . . . . 77.7 mt-30 -105.64 169.68 6.73 Favored Pre-proline 0 C--N 1.32 -0.707 0 CA-C-N 114.986 -1.007 . . . . 0.0 110.175 177.611 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 22' ' ' PRO . . . . . . . . . . . . . 53.1 Cg_exo -56.51 143.45 87.85 Favored 'Trans proline' 0 C--N 1.345 0.359 0 C-N-CA 121.855 1.704 . . . . 0.0 110.84 168.356 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 23' ' ' LEU . . . . . 0.437 ' CD2' ' HE2' ' A' ' 27' ' ' MET . 0.5 OUTLIER -53.68 -46.47 70.67 Favored 'General case' 0 C--N 1.323 -0.544 0 N-CA-C 112.409 0.522 . . . . 0.0 112.409 -168.141 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 49.8 mt-30 -56.73 -44.02 81.23 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.416 -0.356 . . . . 0.0 111.844 -179.126 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 25' ' ' SER . . . . . 0.426 ' O ' ' HG2' ' A' ' 29' ' ' ARG . 6.3 p -83.57 -21.02 32.76 Favored 'General case' 0 C--N 1.324 -0.53 0 C-N-CA 121.051 -0.26 . . . . 0.0 111.268 -177.837 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -59.38 -57.11 14.44 Favored 'General case' 0 C--O 1.234 0.241 0 CA-C-O 120.901 0.381 . . . . 0.0 111.033 178.543 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 27' ' ' MET . . . . . 0.662 ' HB2' ' CG1' ' A' ' 38' ' ' VAL . 45.3 mtt -72.78 -24.55 60.95 Favored 'General case' 0 CA--C 1.507 -0.674 0 N-CA-C 109.918 -0.401 . . . . 0.0 109.918 177.811 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 28' ' ' LEU . . . . . 0.553 ' O ' ' HG3' ' A' ' 32' ' ' GLU . 64.6 tp -56.68 -52.36 65.24 Favored 'General case' 0 C--N 1.323 -0.569 0 N-CA-C 109.031 -0.729 . . . . 0.0 109.031 174.663 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 29' ' ' ARG . . . . . 0.454 ' HD3' ' OE1' ' A' ' 32' ' ' GLU . 23.1 mmt180 -63.48 -45.07 92.43 Favored 'General case' 0 C--N 1.326 -0.443 0 CA-C-N 116.324 -0.398 . . . . 0.0 111.703 -178.723 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 30' ' ' PHE . . . . . 0.456 ' CE2' HD21 ' A' ' 63' ' ' LEU . 28.0 t80 -65.87 -54.31 28.24 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-O 121.131 0.491 . . . . 0.0 111.113 178.901 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -70.02 -18.01 63.29 Favored 'General case' 0 C--N 1.322 -0.62 0 CA-C-N 116.054 -0.521 . . . . 0.0 111.16 -175.79 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 32' ' ' GLU . . . . . 0.553 ' HG3' ' O ' ' A' ' 28' ' ' LEU . 11.5 mt-10 -54.06 -41.94 68.7 Favored 'General case' 0 N--CA 1.471 0.622 0 CA-C-O 120.766 0.317 . . . . 0.0 111.211 173.48 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 33' ' ' GLN . . . . . . . . . . . . . 28.9 pt20 -90.39 -10.47 43.79 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-O 120.732 0.301 . . . . 0.0 111.162 -178.983 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -94.84 -30.1 14.38 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.501 -0.318 . . . . 0.0 111.749 -179.188 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 107.33 29.24 4.58 Favored Glycine 0 CA--C 1.519 0.31 0 C-N-CA 120.999 -0.62 . . . . 0.0 112.73 178.677 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 36' ' ' MET . . . . . . . . . . . . . 67.3 mtm -138.31 175.14 9.83 Favored 'General case' 0 C--N 1.327 -0.386 0 N-CA-C 110.401 -0.222 . . . . 0.0 110.401 -177.036 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 37' ' ' GLN . . . . . . . . . . . . . 9.3 tt0 -147.78 162.83 38.43 Favored 'General case' 0 C--N 1.327 -0.407 0 N-CA-C 109.569 -0.53 . . . . 0.0 109.569 177.569 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 38' ' ' VAL . . . . . 0.662 ' CG1' ' HB2' ' A' ' 27' ' ' MET . 21.8 m -75.92 148.59 7.17 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.361 0 CA-C-O 120.969 0.414 . . . . 0.0 111.455 -177.633 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 39' ' ' PHE . . . . . . . . . . . . . 72.9 t80 -139.8 145.66 38.45 Favored 'General case' 0 C--N 1.323 -0.573 0 CA-C-N 115.809 -0.632 . . . . 0.0 109.882 174.394 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 40' ' ' PHE . . . . . . . . . . . . . 37.8 p90 -153.08 153.95 33.86 Favored 'General case' 0 C--N 1.319 -0.721 0 N-CA-C 109.073 -0.714 . . . . 0.0 109.073 179.309 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 23.8 m-20 -90.48 -164.83 1.23 Allowed 'General case' 0 C--N 1.323 -0.556 0 N-CA-C 109.663 -0.495 . . . . 0.0 109.663 178.254 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 35.3 mt-10 -71.8 88.48 1.01 Allowed 'General case' 0 C--N 1.326 -0.422 0 CA-C-O 121.364 0.602 . . . . 0.0 110.439 179.196 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 43' ' ' VAL . . . . . . . . . . . . . 5.9 p -146.37 134.23 15.39 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.573 0 CA-C-N 115.422 -0.808 . . . . 0.0 109.644 -179.795 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 40.0 ttpt -73.62 107.81 6.09 Favored 'General case' 0 C--N 1.324 -0.509 0 CA-C-O 121.129 0.49 . . . . 0.0 110.701 -178.324 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 84.5 mt -88.59 98.17 11.51 Favored 'General case' 0 C--N 1.322 -0.593 0 CA-C-N 115.772 -0.649 . . . . 0.0 109.284 176.725 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 30.8 t70 -127.32 111.58 14.07 Favored 'General case' 0 C--N 1.321 -0.634 0 CA-C-N 115.868 -0.606 . . . . 0.0 110.443 -176.391 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 83.46 21.74 57.76 Favored Glycine 0 N--CA 1.448 -0.508 0 C-N-CA 120.836 -0.697 . . . . 0.0 111.786 -178.543 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 48' ' ' MET . . . . . . . . . . . . . 25.9 mmt -87.03 119.12 26.9 Favored 'General case' 0 C--N 1.326 -0.429 0 N-CA-C 110.195 -0.298 . . . . 0.0 110.195 -178.455 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -146.27 173.88 11.85 Favored 'General case' 0 C--N 1.322 -0.6 0 CA-C-N 116.331 -0.395 . . . . 0.0 110.838 -179.049 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -105.13 177.67 4.78 Favored 'General case' 0 C--N 1.321 -0.632 0 CA-C-O 121.326 0.584 . . . . 0.0 111.421 -176.772 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -99.68 171.16 8.08 Favored 'General case' 0 C--N 1.322 -0.599 0 CA-C-N 115.444 -0.798 . . . . 0.0 110.236 178.899 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -82.08 89.77 6.48 Favored 'General case' 0 C--N 1.325 -0.495 0 CA-C-O 120.967 0.413 . . . . 0.0 110.471 179.767 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 31.9 tp -97.65 120.69 38.49 Favored 'General case' 0 C--N 1.322 -0.609 0 CA-C-N 116.038 -0.528 . . . . 0.0 110.892 -179.965 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 54' ' ' ASN . . . . . 0.474 ' HA ' ' O ' ' A' ' 16' ' ' PHE . 3.0 p-10 -153.67 98.76 2.24 Favored 'General case' 0 C--N 1.32 -0.7 0 CA-C-O 121.553 0.692 . . . . 0.0 109.745 173.369 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . 179.3 178.85 48.58 Favored Glycine 0 N--CA 1.443 -0.861 0 CA-C-N 115.609 -0.723 . . . . 0.0 111.754 -176.632 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 56' ' ' SER . . . . . 0.423 ' HA ' ' O ' ' A' ' 14' ' ' LYS . 14.6 m -103.75 115.71 30.97 Favored 'General case' 0 C--N 1.319 -0.72 0 CA-C-O 120.723 0.297 . . . . 0.0 110.329 -179.645 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 57' ' ' MET . . . . . . . . . . . . . 20.1 ptp -157.88 173.15 17.23 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 116.399 -0.364 . . . . 0.0 110.497 -178.097 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 58' ' ' SER . . . . . 0.488 ' HB2' ' OE1' ' A' ' 61' ' ' GLN . 16.3 m -83.04 177.72 8.47 Favored 'General case' 0 C--N 1.326 -0.422 0 N-CA-C 110.413 -0.217 . . . . 0.0 110.413 -178.967 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 59' ' ' VAL . . . . . . . . . . . . . 24.7 t -61.68 -44.15 98.25 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.338 0 CA-C-O 120.746 0.308 . . . . 0.0 110.723 -177.811 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 60' ' ' GLU . . . . . 0.581 ' HB3' ' NH1' ' A' ' 64' ' ' ARG . 45.6 mt-10 -57.68 -56.35 23.01 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.046 -0.524 . . . . 0.0 111.577 179.3 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 61' ' ' GLN . . . . . 0.488 ' OE1' ' HB2' ' A' ' 58' ' ' SER . 24.6 mp0 -61.14 -42.29 98.27 Favored 'General case' 0 C--N 1.323 -0.553 0 N-CA-C 109.973 -0.38 . . . . 0.0 109.973 178.384 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 62' ' ' GLY . . . . . 0.533 ' O ' ' HB2' ' A' ' 66' ' ' LEU . . . -55.81 -58.69 12.83 Favored Glycine 0 C--O 1.219 -0.796 0 CA-C-N 115.674 -0.694 . . . . 0.0 112.611 -179.391 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 63' ' ' LEU . . . . . 0.46 ' HG ' ' CE2' ' A' ' 74' ' ' PHE . 4.2 mm? -60.87 -48.15 83.13 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-N 116.859 0.33 . . . . 0.0 111.809 -177.354 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 64' ' ' ARG . . . . . 0.581 ' NH1' ' HB3' ' A' ' 60' ' ' GLU . 66.3 mtt180 -62.5 -36.23 81.9 Favored 'General case' 0 C--N 1.325 -0.499 0 CA-C-N 116.562 -0.29 . . . . 0.0 110.868 -176.76 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 65' ' ' ARG . . . . . 0.475 ' HA ' ' HA2' ' A' ' 69' ' ' GLY . 8.3 tpp180 -78.64 -38.49 39.49 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-O 120.999 0.428 . . . . 0.0 110.775 177.699 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 66' ' ' LEU . . . . . 0.533 ' HB2' ' O ' ' A' ' 62' ' ' GLY . 5.8 tt -59.81 -48.84 80.07 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-N 115.257 -0.883 . . . . 0.0 110.926 -177.57 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 67' ' ' ILE . . . . . 0.416 HG13 ' O ' ' A' ' 63' ' ' LEU . 18.1 mt -77.78 -64.37 0.91 Allowed 'Isoleucine or valine' 0 C--N 1.322 -0.598 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.38 -173.293 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . -116.3 -44.71 0.6 Allowed Glycine 0 N--CA 1.451 -0.353 0 C-N-CA 120.764 -0.732 . . . . 0.0 113.9 -177.251 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 69' ' ' GLY . . . . . 0.475 ' HA2' ' HA ' ' A' ' 65' ' ' ARG . . . 105.25 -2.36 40.35 Favored Glycine 0 N--CA 1.45 -0.412 0 N-CA-C 111.063 -0.815 . . . . 0.0 111.063 -167.724 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 70' ' ' ASN . . . . . . . . . . . . . 40.8 m-80 -101.41 150.79 37.51 Favored Pre-proline 0 C--N 1.329 -0.319 0 CA-C-N 115.514 -0.343 . . . . 0.0 110.496 -179.741 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 71' ' ' PRO . . . . . . . . . . . . . 37.4 Cg_exo -61.37 120.37 8.0 Favored 'Trans proline' 0 C--N 1.344 0.324 0 C-N-CA 122.662 2.241 . . . . 0.0 110.83 172.356 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 72' ' ' VAL . . . . . . . . . . . . . 9.1 p -151.39 161.62 3.28 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 CA-C-N 116.58 -0.282 . . . . 0.0 110.266 -171.457 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -110.99 128.07 55.72 Favored 'General case' 0 N--CA 1.447 -0.576 0 CA-C-O 120.862 0.363 . . . . 0.0 110.061 -177.641 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 74' ' ' PHE . . . . . 0.473 ' HZ ' ' HA ' ' A' ' 60' ' ' GLU . 31.0 p90 -133.45 138.24 46.1 Favored 'General case' 0 C--N 1.317 -0.824 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.125 -178.071 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 75' ' ' ARG . . . . . 0.563 ' NH2' HD23 ' A' ' 87' ' ' LEU . 38.9 mmt180 -87.02 133.77 33.55 Favored 'General case' 0 C--N 1.322 -0.607 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.368 -177.93 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 76' ' ' LEU . . . . . . . . . . . . . 96.0 mt -118.68 111.9 19.11 Favored 'General case' 0 C--N 1.32 -0.692 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.231 177.322 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 77' ' ' GLN . . . . . . . . . . . . . 54.2 mt-30 -104.57 114.25 64.24 Favored Pre-proline 0 C--N 1.32 -0.711 0 N-CA-C 109.298 -0.63 . . . . 0.0 109.298 170.598 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 78' ' ' PRO . . . . . . . . . . . . . 79.2 Cg_exo -42.07 -46.16 7.16 Favored 'Trans proline' 0 C--N 1.351 0.68 0 C-N-CA 123.861 3.041 . . . . 0.0 113.915 -171.341 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 79' ' ' GLN . . . . . . . . . . . . . 12.1 pt20 -118.16 29.12 7.96 Favored 'General case' 0 C--N 1.325 -0.464 0 CA-C-O 120.99 0.424 . . . . 0.0 110.654 179.033 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . -124.51 -111.24 1.9 Allowed Glycine 0 N--CA 1.443 -0.882 0 C-N-CA 120.732 -0.747 . . . . 0.0 112.193 -178.964 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 81' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -143.0 169.83 16.82 Favored 'General case' 0 C--N 1.322 -0.603 0 CA-C-O 121.12 0.486 . . . . 0.0 111.712 -171.959 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 82' ' ' ILE . . . . . . . . . . . . . 53.0 mt -115.93 122.35 69.37 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 115.154 -0.93 . . . . 0.0 109.742 176.354 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 83' ' ' VAL . . . . . . . . . . . . . 16.6 m -128.48 142.38 44.04 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.508 0 CA-C-O 120.892 0.377 . . . . 0.0 110.576 176.838 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 84' ' ' LEU . . . . . . . . . . . . . 21.1 tp -102.45 141.75 34.76 Favored 'General case' 0 C--N 1.321 -0.631 0 CA-C-N 116.011 -0.541 . . . . 0.0 110.077 -176.11 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 85' ' ' SER . . . . . . . . . . . . . 23.8 m -152.27 145.56 24.72 Favored 'General case' 0 C--O 1.233 0.231 0 CA-C-O 121.127 0.489 . . . . 0.0 111.126 -177.601 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 86' ' ' ARG . . . . . . . . . . . . . 15.4 mmm180 -88.74 82.85 6.74 Favored 'General case' 0 C--N 1.323 -0.561 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.506 174.452 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 87' ' ' LEU . . . . . 0.563 HD23 ' NH2' ' A' ' 75' ' ' ARG . 8.1 mp . . . . . 0 C--N 1.326 -0.42 0 CA-C-O 120.884 0.374 . . . . 0.0 110.35 177.189 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 3.8 pt20 . . . . . 0 C--O 1.235 0.328 0 CA-C-O 121.194 0.521 . . . . 0.0 111.248 . . . . . . . . . 0 0 . 1 . 010 nuclear orig core ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 51.9 mt-30 -119.3 122.38 41.75 Favored 'General case' 0 C--N 1.324 -0.525 0 CA-C-N 115.905 -0.589 . . . . 0.0 110.656 -178.843 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 14' ' ' LYS . . . . . 0.519 ' O ' ' HA ' ' A' ' 56' ' ' SER . 44.1 mmtm -109.54 142.96 39.87 Favored 'General case' 0 C--N 1.323 -0.573 0 N-CA-C 109.534 -0.543 . . . . 0.0 109.534 175.439 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 15' ' ' ASN . . . . . 0.401 ' HA ' ' HA ' ' A' ' 56' ' ' SER . 47.8 t30 -80.41 98.97 7.74 Favored 'General case' 0 C--N 1.325 -0.472 0 CA-C-O 121.113 0.482 . . . . 0.0 110.529 -178.03 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 16' ' ' PHE . . . . . . . . . . . . . 75.7 m-85 -100.13 140.66 34.04 Favored 'General case' 0 C--N 1.319 -0.751 0 CA-C-N 115.756 -0.656 . . . . 0.0 109.617 178.557 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 9.1 p30 -147.88 117.92 7.24 Favored 'General case' 0 C--N 1.319 -0.724 0 CA-C-O 121.306 0.574 . . . . 0.0 109.52 176.123 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 18' ' ' ILE . . . . . 0.441 HD11 HD12 ' A' ' 66' ' ' LEU . 18.1 mt -139.24 124.17 21.05 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.586 0 CA-C-N 115.837 -0.619 . . . . 0.0 109.923 -175.875 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -70.54 160.01 33.26 Favored 'General case' 0 C--N 1.328 -0.36 0 N-CA-C 109.566 -0.531 . . . . 0.0 109.566 175.851 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -67.07 104.11 1.34 Allowed 'General case' 0 C--N 1.331 -0.233 0 CA-C-O 121.522 0.677 . . . . 0.0 110.626 -176.502 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 21' ' ' GLN . . . . . . . . . . . . . 70.3 mt-30 -105.67 174.82 2.4 Favored Pre-proline 0 C--N 1.32 -0.688 0 CA-C-N 114.82 -1.082 . . . . 0.0 109.631 175.741 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 22' ' ' PRO . . . . . . . . . . . . . 32.5 Cg_exo -59.37 135.88 68.16 Favored 'Trans proline' 0 N--CA 1.462 -0.381 0 C-N-CA 121.54 1.493 . . . . 0.0 109.489 165.193 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -54.99 -46.81 75.18 Favored 'General case' 0 C--N 1.326 -0.434 0 N-CA-C 112.809 0.67 . . . . 0.0 112.809 -165.827 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 76.5 mt-30 -70.58 -27.13 63.88 Favored 'General case' 0 C--N 1.325 -0.477 0 CA-C-O 120.806 0.336 . . . . 0.0 111.218 -178.668 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 19.9 m -80.97 -25.12 37.55 Favored 'General case' 0 C--N 1.326 -0.444 0 CA-C-O 121.188 0.518 . . . . 0.0 110.347 177.142 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -61.84 -51.99 66.0 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 115.648 -0.706 . . . . 0.0 110.932 178.632 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 27' ' ' MET . . . . . 0.645 ' HB2' ' CG2' ' A' ' 38' ' ' VAL . 15.4 mmt -75.43 -16.24 60.36 Favored 'General case' 0 C--N 1.323 -0.572 0 CA-C-N 115.572 -0.74 . . . . 0.0 110.391 -178.639 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 28' ' ' LEU . . . . . 0.438 ' O ' ' HB3' ' A' ' 32' ' ' GLU . 8.7 tt -61.44 -41.8 97.75 Favored 'General case' 0 C--N 1.321 -0.653 0 N-CA-C 108.056 -1.09 . . . . 0.0 108.056 171.453 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 29' ' ' ARG . . . . . 0.432 ' O ' ' HG2' ' A' ' 32' ' ' GLU . 16.5 mmm180 -72.14 -46.84 54.91 Favored 'General case' 0 C--N 1.331 -0.21 0 CA-C-N 115.624 -0.716 . . . . 0.0 111.586 179.363 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 21.3 t80 -68.31 -53.98 20.56 Favored 'General case' 0 C--N 1.323 -0.551 0 CA-C-O 121.349 0.595 . . . . 0.0 111.452 -179.858 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -76.02 -18.2 59.36 Favored 'General case' 0 C--N 1.32 -0.691 0 CA-C-N 115.899 -0.592 . . . . 0.0 112.082 -170.054 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 32' ' ' GLU . . . . . 0.438 ' HB3' ' O ' ' A' ' 28' ' ' LEU . 13.7 pt-20 -66.4 -25.6 66.85 Favored 'General case' 0 C--N 1.327 -0.383 0 C-N-CA 119.888 -0.725 . . . . 0.0 109.739 176.377 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 33' ' ' GLN . . . . . . . . . . . . . 25.6 mt-30 -90.12 -13.85 34.89 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 115.737 -0.665 . . . . 0.0 110.502 177.421 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -102.07 -10.95 19.25 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.829 179.305 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 85.85 37.94 9.02 Favored Glycine 0 CA--C 1.517 0.213 0 C-N-CA 121.056 -0.592 . . . . 0.0 112.633 179.661 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 36' ' ' MET . . . . . . . . . . . . . 73.2 mtm -145.9 175.13 10.66 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-O 120.731 0.3 . . . . 0.0 110.451 -178.495 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 37' ' ' GLN . . . . . . . . . . . . . 51.9 tt0 -153.94 161.22 42.16 Favored 'General case' 0 C--N 1.326 -0.424 0 N-CA-C 108.996 -0.742 . . . . 0.0 108.996 177.833 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 38' ' ' VAL . . . . . 0.645 ' CG2' ' HB2' ' A' ' 27' ' ' MET . 39.4 t -76.22 127.01 37.48 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-O 120.667 0.27 . . . . 0.0 110.431 -176.613 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 39' ' ' PHE . . . . . 0.41 ' HB3' ' CG1' ' A' ' 83' ' ' VAL . 43.1 t80 -115.97 124.57 50.88 Favored 'General case' 0 N--CA 1.447 -0.594 0 N-CA-C 109.579 -0.526 . . . . 0.0 109.579 177.946 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 40' ' ' PHE . . . . . . . . . . . . . 31.7 p90 -135.77 146.2 47.36 Favored 'General case' 0 C--N 1.318 -0.8 0 CA-C-N 115.78 -0.646 . . . . 0.0 110.382 -175.038 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 29.2 t70 -130.88 -68.06 0.69 Allowed 'General case' 0 C--N 1.322 -0.591 0 CA-C-N 116.418 -0.355 . . . . 0.0 110.546 179.991 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 47.8 mt-10 -103.27 89.64 3.46 Favored 'General case' 0 C--N 1.323 -0.568 0 CA-C-O 120.953 0.406 . . . . 0.0 110.607 177.594 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 43' ' ' VAL . . . . . . . . . . . . . 7.5 p -150.13 135.63 10.95 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.352 0 CA-C-N 115.982 -0.553 . . . . 0.0 110.409 -179.713 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 37.6 ttpt -150.96 94.23 2.04 Favored 'General case' 0 C--N 1.326 -0.45 0 CA-C-O 120.919 0.39 . . . . 0.0 110.198 176.909 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 45' ' ' LEU . . . . . 0.541 ' O ' ' HG3' ' A' ' 48' ' ' MET . 54.4 tp -143.29 99.61 3.47 Favored 'General case' 0 C--N 1.32 -0.682 0 CA-C-N 115.996 -0.547 . . . . 0.0 110.103 -179.888 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 26.1 t70 -75.36 109.96 9.32 Favored 'General case' 0 C--N 1.319 -0.738 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.328 178.522 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 123.27 21.49 2.51 Favored Glycine 0 N--CA 1.447 -0.625 0 CA-C-N 115.759 -0.655 . . . . 0.0 112.031 -177.288 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 48' ' ' MET . . . . . 0.541 ' HG3' ' O ' ' A' ' 45' ' ' LEU . 67.5 mtm -67.74 119.52 12.6 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 121.101 0.477 . . . . 0.0 110.669 177.552 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 18.2 pt20 -138.01 154.36 49.33 Favored 'General case' 0 C--N 1.321 -0.648 0 CA-C-N 115.964 -0.562 . . . . 0.0 110.328 -177.927 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -88.3 148.76 24.15 Favored 'General case' 0 C--N 1.321 -0.633 0 CA-C-N 115.815 -0.63 . . . . 0.0 110.675 179.481 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -81.79 166.18 20.24 Favored 'General case' 0 C--N 1.322 -0.603 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.467 177.344 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -68.85 89.99 0.41 Allowed 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 121.328 0.585 . . . . 0.0 110.471 179.032 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 1.9 tm? -85.12 115.23 22.8 Favored 'General case' 0 C--N 1.32 -0.68 0 CA-C-N 115.357 -0.838 . . . . 0.0 110.072 -176.56 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 54' ' ' ASN . . . . . . . . . . . . . 6.2 p30 -160.34 100.0 1.33 Allowed 'General case' 0 C--N 1.328 -0.367 0 CA-C-O 121.352 0.596 . . . . 0.0 110.771 176.423 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . 178.63 154.71 13.11 Favored Glycine 0 N--CA 1.447 -0.567 0 C-N-CA 120.391 -0.909 . . . . 0.0 112.719 179.085 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 56' ' ' SER . . . . . 0.519 ' HA ' ' O ' ' A' ' 14' ' ' LYS . 63.9 p -90.09 101.79 14.51 Favored 'General case' 0 C--N 1.324 -0.514 0 N-CA-C 109.538 -0.542 . . . . 0.0 109.538 174.24 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 57' ' ' MET . . . . . . . . . . . . . 11.5 ptt? -151.15 -173.94 4.65 Favored 'General case' 0 C--N 1.321 -0.658 0 CA-C-N 116.572 -0.285 . . . . 0.0 111.48 -173.549 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 15.6 m -93.78 179.93 5.2 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.097 -177.582 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 59' ' ' VAL . . . . . . . . . . . . . 48.1 t -60.13 -52.64 58.84 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.166 0 CA-C-O 120.6 0.238 . . . . 0.0 111.087 -178.364 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 27.7 mp0 -53.53 -55.58 24.35 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.067 -0.515 . . . . 0.0 111.272 179.637 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 61' ' ' GLN . . . . . . . . . . . . . 75.6 mt-30 -58.22 -37.57 75.11 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 115.776 -0.647 . . . . 0.0 111.161 -178.607 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 62' ' ' GLY . . . . . 0.518 ' O ' ' HB2' ' A' ' 66' ' ' LEU . . . -67.04 -61.42 5.22 Favored Glycine 0 N--CA 1.445 -0.724 0 C-N-CA 121.044 -0.598 . . . . 0.0 112.566 179.233 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 4.5 mm? -58.86 -45.78 89.32 Favored 'General case' 0 C--N 1.331 -0.216 0 N-CA-C 111.721 0.267 . . . . 0.0 111.721 -176.187 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 64' ' ' ARG . . . . . . . . . . . . . 29.6 ttt180 -54.89 -46.35 74.79 Favored 'General case' 0 N--CA 1.446 -0.628 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.97 -177.976 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 65' ' ' ARG . . . . . . . . . . . . . 27.4 ttm180 -76.1 -38.7 56.59 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.64 -179.779 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 66' ' ' LEU . . . . . 0.518 ' HB2' ' O ' ' A' ' 62' ' ' GLY . 1.0 OUTLIER -62.07 -47.64 83.78 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-N 115.289 -0.869 . . . . 0.0 111.013 -176.277 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 67' ' ' ILE . . . . . . . . . . . . . 61.5 mt -78.12 -62.99 1.19 Allowed 'Isoleucine or valine' 0 C--N 1.327 -0.381 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.474 -176.967 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . -113.55 -59.91 0.4 Allowed Glycine 0 N--CA 1.445 -0.71 0 C-N-CA 120.515 -0.85 . . . . 0.0 113.333 -175.497 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . 102.88 -16.16 54.7 Favored Glycine 0 N--CA 1.447 -0.575 0 N-CA-C 110.04 -1.224 . . . . 0.0 110.04 -167.915 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 70' ' ' ASN . . . . . . . . . . . . . 15.5 m120 -101.06 159.8 28.48 Favored Pre-proline 0 C--N 1.324 -0.521 0 CA-C-N 114.36 -0.92 . . . . 0.0 109.501 178.801 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 71' ' ' PRO . . . . . . . . . . . . . 37.0 Cg_endo -66.53 99.95 0.46 Allowed 'Trans proline' 0 C--N 1.346 0.423 0 C-N-CA 122.667 2.245 . . . . 0.0 113.286 179.962 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 72' ' ' VAL . . . . . 0.459 ' CG1' HD22 ' A' ' 84' ' ' LEU . 1.1 t -133.68 160.4 42.12 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.375 0 N-CA-C 107.894 -1.15 . . . . 0.0 107.894 175.959 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -112.95 119.95 39.72 Favored 'General case' 0 C--N 1.325 -0.494 0 C-N-CA 120.333 -0.547 . . . . 0.0 111.587 -170.355 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 74' ' ' PHE . . . . . 0.455 ' HA ' ' HA ' ' A' ' 84' ' ' LEU . 32.2 p90 -123.12 145.57 48.47 Favored 'General case' 0 C--N 1.317 -0.823 0 CA-C-N 115.688 -0.687 . . . . 0.0 109.882 178.321 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 75' ' ' ARG . . . . . . . . . . . . . 5.0 ptp180 -125.1 125.64 44.08 Favored 'General case' 0 C--N 1.315 -0.899 0 CA-C-O 121.215 0.531 . . . . 0.0 110.389 -178.572 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 76' ' ' LEU . . . . . . . . . . . . . 2.7 mm? -83.21 99.66 10.09 Favored 'General case' 0 C--N 1.324 -0.539 0 CA-C-N 115.739 -0.664 . . . . 0.0 109.546 -179.004 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 77' ' ' GLN . . . . . . . . . . . . . 0.4 OUTLIER -85.59 128.06 60.51 Favored Pre-proline 0 N--CA 1.434 -1.227 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.092 -176.124 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 78' ' ' PRO . . . . . . . . . . . . . 41.9 Cg_endo -66.15 -2.8 7.47 Favored 'Trans proline' 0 C--N 1.347 0.491 0 C-N-CA 123.629 2.886 . . . . 0.0 113.571 -173.215 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 79' ' ' GLN . . . . . . . . . . . . . 26.0 mt-30 -83.9 16.57 2.75 Favored 'General case' 0 C--N 1.325 -0.464 0 CA-C-O 121.016 0.436 . . . . 0.0 110.235 176.608 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . 76.3 32.97 50.29 Favored Glycine 0 N--CA 1.448 -0.532 0 CA-C-N 115.708 -0.678 . . . . 0.0 112.134 179.059 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 81' ' ' GLN . . . . . . . . . . . . . 78.6 mt-30 -134.13 118.27 17.51 Favored 'General case' 0 C--N 1.323 -0.562 0 CA-C-O 121.115 0.483 . . . . 0.0 111.506 -174.247 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 82' ' ' ILE . . . . . . . . . . . . . 57.4 mt -92.72 108.07 19.84 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.662 0 N-CA-C 109.144 -0.688 . . . . 0.0 109.144 173.435 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 83' ' ' VAL . . . . . 0.41 ' CG1' ' HB3' ' A' ' 39' ' ' PHE . 17.1 m -116.53 141.37 34.74 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.69 0 CA-C-O 121.284 0.564 . . . . 0.0 110.408 178.841 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 84' ' ' LEU . . . . . 0.659 HD23 ' N ' ' A' ' 85' ' ' SER . 7.7 tt -127.49 149.84 49.94 Favored 'General case' 0 C--N 1.317 -0.845 0 CA-C-N 115.569 -0.741 . . . . 0.0 109.083 -177.673 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 85' ' ' SER . . . . . 0.659 ' N ' HD23 ' A' ' 84' ' ' LEU . 25.1 m -144.18 150.78 38.56 Favored 'General case' 0 C--N 1.325 -0.479 0 N-CA-C 109.894 -0.41 . . . . 0.0 109.894 179.253 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 86' ' ' ARG . . . . . . . . . . . . . 69.1 mtt180 -85.1 75.61 10.33 Favored 'General case' 0 C--N 1.323 -0.562 0 CA-C-O 121.503 0.668 . . . . 0.0 111.415 -176.288 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 87' ' ' LEU . . . . . . . . . . . . . 10.9 mp . . . . . 0 C--N 1.324 -0.542 0 CA-C-N 115.101 -0.954 . . . . 0.0 110.382 176.818 . . . . . . . . 0 0 . 1 . 011 nuclear orig core ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 5.5 pm0 . . . . . 0 N--CA 1.455 -0.188 0 CA-C-O 121.359 0.599 . . . . 0.0 110.408 . . . . . . . . . 0 0 . 1 . 011 nuclear orig core ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 12.5 pt20 -109.13 125.76 52.51 Favored 'General case' 0 C--N 1.323 -0.573 0 CA-C-N 115.875 -0.602 . . . . 0.0 110.778 -177.061 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 14' ' ' LYS . . . . . 0.402 ' HB2' ' CZ ' ' A' ' 16' ' ' PHE . 13.7 mmmm -112.0 137.03 50.57 Favored 'General case' 0 C--N 1.321 -0.639 0 CA-C-N 115.536 -0.756 . . . . 0.0 109.453 178.821 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 15' ' ' ASN . . . . . . . . . . . . . 23.9 t-20 -81.22 110.1 16.38 Favored 'General case' 0 C--N 1.321 -0.655 0 CA-C-O 120.98 0.419 . . . . 0.0 110.215 179.715 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 16' ' ' PHE . . . . . 0.569 ' O ' ' HA ' ' A' ' 54' ' ' ASN . 52.7 m-85 -101.55 142.64 32.61 Favored 'General case' 0 C--N 1.321 -0.662 0 CA-C-N 115.981 -0.554 . . . . 0.0 110.482 -179.37 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 8.9 t30 -137.35 94.18 2.9 Favored 'General case' 0 C--N 1.325 -0.466 0 N-CA-C 109.196 -0.668 . . . . 0.0 109.196 175.083 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 18' ' ' ILE . . . . . . . . . . . . . 15.9 mm -112.76 118.73 58.67 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.663 0 CA-C-N 115.714 -0.675 . . . . 0.0 111.058 -173.159 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -75.72 152.22 37.5 Favored 'General case' 0 C--N 1.325 -0.475 0 N-CA-C 108.856 -0.794 . . . . 0.0 108.856 172.703 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -67.54 101.15 0.95 Allowed 'General case' 0 C--N 1.332 -0.182 0 CA-C-O 121.49 0.662 . . . . 0.0 110.585 -176.04 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 21' ' ' GLN . . . . . . . . . . . . . 40.0 mt-30 -107.18 168.53 7.89 Favored Pre-proline 0 C--N 1.32 -0.697 0 CA-C-N 114.769 -1.105 . . . . 0.0 110.39 177.846 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 22' ' ' PRO . . . . . 0.483 ' HA ' ' O ' ' A' ' 48' ' ' MET . 34.0 Cg_exo -60.71 134.2 52.7 Favored 'Trans proline' 0 C--N 1.343 0.27 0 C-N-CA 121.902 1.735 . . . . 0.0 109.469 165.29 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 23' ' ' LEU . . . . . 0.476 ' HB2' ' HB3' ' A' ' 48' ' ' MET . 59.6 mt -49.87 -42.16 47.11 Favored 'General case' 0 C--N 1.329 -0.319 0 N-CA-C 114.149 1.166 . . . . 0.0 114.149 -167.596 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 94.0 mt-30 -65.18 -35.12 80.1 Favored 'General case' 0 C--N 1.322 -0.593 0 CA-C-O 120.942 0.401 . . . . 0.0 110.913 -178.092 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 25' ' ' SER . . . . . 0.444 ' O ' ' HG2' ' A' ' 29' ' ' ARG . 15.3 m -83.22 -34.47 25.87 Favored 'General case' 0 C--N 1.325 -0.48 0 CA-C-O 121.096 0.474 . . . . 0.0 109.912 176.392 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -58.02 -58.52 8.05 Favored 'General case' 0 CA--C 1.516 -0.346 0 CA-C-N 115.493 -0.776 . . . . 0.0 111.437 -179.384 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 27' ' ' MET . . . . . 0.529 ' CE ' ' HB3' ' A' ' 66' ' ' LEU . 12.3 mmt -79.18 -13.37 59.75 Favored 'General case' 0 CA--C 1.506 -0.735 0 CA-C-N 115.377 -0.829 . . . . 0.0 110.558 -174.297 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 28' ' ' LEU . . . . . 0.631 ' O ' ' HG3' ' A' ' 32' ' ' GLU . 3.1 tm? -66.36 -53.62 33.97 Favored 'General case' 0 C--N 1.318 -0.797 0 N-CA-C 107.984 -1.117 . . . . 0.0 107.984 167.405 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 29' ' ' ARG . . . . . 0.515 ' HD3' ' OE1' ' A' ' 32' ' ' GLU . 29.1 mmt180 -65.46 -42.49 92.23 Favored 'General case' 0 N--CA 1.464 0.251 0 CA-C-N 116.299 -0.41 . . . . 0.0 111.402 -178.924 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 30' ' ' PHE . . . . . 0.448 ' HB3' ' HA ' ' A' ' 27' ' ' MET . 32.1 t80 -62.61 -52.65 62.52 Favored 'General case' 0 C--N 1.326 -0.455 0 CA-C-O 120.982 0.42 . . . . 0.0 110.823 178.205 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -71.44 -19.56 62.22 Favored 'General case' 0 C--N 1.323 -0.546 0 CA-C-N 116.156 -0.474 . . . . 0.0 111.204 -176.445 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 32' ' ' GLU . . . . . 0.631 ' HG3' ' O ' ' A' ' 28' ' ' LEU . 20.7 mt-10 -53.39 -50.99 63.97 Favored 'General case' 0 N--CA 1.471 0.604 0 CA-C-O 120.921 0.391 . . . . 0.0 111.1 176.383 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 33' ' ' GLN . . . . . . . . . . . . . 4.1 pt20 -83.29 -9.14 59.27 Favored 'General case' 0 C--N 1.325 -0.465 0 CA-C-N 116.059 -0.519 . . . . 0.0 111.061 -178.227 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -94.23 -11.07 31.0 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-O 120.969 0.414 . . . . 0.0 111.086 177.372 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 85.24 37.41 9.9 Favored Glycine 0 CA--C 1.517 0.209 0 CA-C-N 116.033 -0.53 . . . . 0.0 112.718 178.6 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 36' ' ' MET . . . . . 0.427 ' HG2' ' HA2' ' A' ' 80' ' ' GLY . 64.1 mtm -148.83 176.03 10.75 Favored 'General case' 0 C--N 1.328 -0.356 0 C-N-CA 122.566 0.346 . . . . 0.0 110.217 -178.615 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 37' ' ' GLN . . . . . 0.412 ' O ' ' HA ' ' A' ' 81' ' ' GLN . 44.1 tt0 -138.19 144.12 40.55 Favored 'General case' 0 C--N 1.325 -0.5 0 N-CA-C 109.413 -0.588 . . . . 0.0 109.413 173.407 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 38' ' ' VAL . . . . . 0.421 ' HB ' ' HB2' ' A' ' 27' ' ' MET . 6.4 p -77.3 132.75 32.14 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.385 0 N-CA-C 109.618 -0.512 . . . . 0.0 109.618 176.546 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 39' ' ' PHE . . . . . . . . . . . . . 82.9 t80 -89.79 115.36 27.08 Favored 'General case' 0 C--N 1.322 -0.628 0 CA-C-N 115.959 -0.564 . . . . 0.0 110.745 -174.697 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 40' ' ' PHE . . . . . . . . . . . . . 20.9 p90 -142.37 104.87 4.49 Favored 'General case' 0 C--N 1.322 -0.588 0 CA-C-O 121.381 0.61 . . . . 0.0 110.322 178.116 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 32.0 t70 -125.88 -61.5 1.24 Allowed 'General case' 0 C--N 1.321 -0.638 0 CA-C-N 115.955 -0.566 . . . . 0.0 110.295 179.156 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 42.1 mt-10 -97.24 86.73 3.99 Favored 'General case' 0 C--N 1.322 -0.595 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.053 176.117 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 43' ' ' VAL . . . . . . . . . . . . . 4.2 m -151.34 138.29 13.06 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 CA-C-N 115.913 -0.585 . . . . 0.0 110.517 -178.324 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 24.1 ttmm -150.57 89.81 1.59 Allowed 'General case' 0 C--N 1.321 -0.652 0 CA-C-N 116.047 -0.524 . . . . 0.0 109.862 174.998 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 56.3 tp -159.2 125.31 4.43 Favored 'General case' 0 C--N 1.324 -0.528 0 CA-C-N 115.646 -0.706 . . . . 0.0 109.97 -179.597 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 6.6 p-10 -94.22 162.04 14.02 Favored 'General case' 0 C--N 1.322 -0.595 0 CA-C-O 120.903 0.382 . . . . 0.0 110.606 -179.364 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 101.21 10.62 41.56 Favored Glycine 0 N--CA 1.446 -0.646 0 C-N-CA 120.831 -0.7 . . . . 0.0 112.405 178.93 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 48' ' ' MET . . . . . 0.483 ' O ' ' HA ' ' A' ' 22' ' ' PRO . 64.3 mtt -71.66 117.84 13.74 Favored 'General case' 0 C--N 1.33 -0.264 0 N-CA-C 109.928 -0.397 . . . . 0.0 109.928 -178.996 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 47.6 mt-30 -141.7 126.89 18.53 Favored 'General case' 0 C--N 1.322 -0.591 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.333 -176.587 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -83.93 160.62 21.05 Favored 'General case' 0 C--N 1.321 -0.635 0 CA-C-N 115.99 -0.55 . . . . 0.0 110.913 179.652 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -90.65 154.0 19.89 Favored 'General case' 0 C--N 1.322 -0.601 0 CA-C-N 115.946 -0.57 . . . . 0.0 109.945 175.597 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -70.08 89.7 0.63 Allowed 'General case' 0 C--N 1.328 -0.34 0 CA-C-O 121.145 0.498 . . . . 0.0 110.368 178.915 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 61.5 tp -83.13 113.1 20.4 Favored 'General case' 0 C--N 1.322 -0.607 0 CA-C-N 115.705 -0.68 . . . . 0.0 110.763 -178.247 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 54' ' ' ASN . . . . . 0.569 ' HA ' ' O ' ' A' ' 16' ' ' PHE . 64.0 t30 -138.51 100.92 4.22 Favored 'General case' 0 C--N 1.323 -0.56 0 N-CA-C 109.597 -0.52 . . . . 0.0 109.597 175.798 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . 179.74 165.3 33.51 Favored Glycine 0 N--CA 1.45 -0.395 0 C-N-CA 120.5 -0.857 . . . . 0.0 112.593 -178.037 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 17.4 m -106.22 103.29 12.73 Favored 'General case' 0 C--N 1.325 -0.495 0 CA-C-O 120.754 0.311 . . . . 0.0 110.651 -178.653 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 57' ' ' MET . . . . . . . . . . . . . 12.5 ptt? -162.77 -171.05 2.56 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.283 179.876 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 14.8 m -90.89 -171.22 2.94 Favored 'General case' 0 C--N 1.324 -0.526 0 C-N-CA 120.915 -0.314 . . . . 0.0 111.087 -178.556 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 59' ' ' VAL . . . . . . . . . . . . . 24.2 t -66.28 -40.28 86.43 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.338 0 CA-C-N 116.578 -0.283 . . . . 0.0 111.366 -176.411 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 60' ' ' GLU . . . . . 0.724 ' O ' ' HG3' ' A' ' 64' ' ' ARG . 1.7 mp0 -50.31 -70.22 0.09 Allowed 'General case' 0 C--N 1.328 -0.338 0 O-C-N 123.607 0.567 . . . . 0.0 111.376 -175.659 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 61' ' ' GLN . . . . . . . . . . . . . 18.3 mm100 -62.2 -34.41 76.4 Favored 'General case' 0 C--N 1.328 -0.35 0 N-CA-C 111.762 0.282 . . . . 0.0 111.762 -174.313 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . -64.55 -53.63 34.1 Favored Glycine 0 N--CA 1.449 -0.495 0 C-N-CA 120.524 -0.846 . . . . 0.0 112.197 178.218 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 63' ' ' LEU . . . . . 0.522 HD12 ' CG ' ' A' ' 74' ' ' PHE . 1.3 tm? -67.49 -32.61 73.55 Favored 'General case' 0 C--N 1.326 -0.453 0 C-N-CA 122.466 0.306 . . . . 0.0 110.623 -176.414 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 64' ' ' ARG . . . . . 0.724 ' HG3' ' O ' ' A' ' 60' ' ' GLU . 71.7 mtp180 -51.92 -59.67 4.06 Favored 'General case' 0 C--O 1.235 0.298 0 CA-C-O 121.046 0.451 . . . . 0.0 110.555 176.578 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 65' ' ' ARG . . . . . . . . . . . . . 51.7 ttt180 -68.63 -33.79 74.62 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 115.441 -0.8 . . . . 0.0 110.856 -177.377 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 66' ' ' LEU . . . . . 0.529 ' HB3' ' CE ' ' A' ' 27' ' ' MET . 9.2 mt -59.03 -55.74 31.26 Favored 'General case' 0 C--N 1.324 -0.535 0 CA-C-N 115.511 -0.768 . . . . 0.0 112.866 -177.184 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 67' ' ' ILE . . . . . . . . . . . . . 10.6 mt -79.98 -61.59 1.68 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.345 0 N-CA-C 113.155 0.798 . . . . 0.0 113.155 -170.02 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 68' ' ' GLY . . . . . 0.415 ' C ' ' H ' ' A' ' 70' ' ' ASN . . . -112.38 -63.07 0.46 Allowed Glycine 0 N--CA 1.448 -0.549 0 C-N-CA 119.009 -1.567 . . . . 0.0 114.711 -169.015 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . 84.47 -21.77 10.06 Favored Glycine 0 CA--C 1.52 0.378 0 N-CA-C 110.499 -1.041 . . . . 0.0 110.499 -167.295 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 70' ' ' ASN . . . . . 0.493 ' HB2' ' HD2' ' A' ' 71' ' ' PRO . 27.5 p-10 -101.68 162.56 20.05 Favored Pre-proline 0 C--N 1.327 -0.386 0 C-N-CA 123.534 0.734 . . . . 0.0 109.191 175.314 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 71' ' ' PRO . . . . . 0.493 ' HD2' ' HB2' ' A' ' 70' ' ' ASN . 19.1 Cg_endo -59.25 97.72 0.1 Allowed 'Trans proline' 0 C--N 1.351 0.661 0 C-N-CA 122.552 2.168 . . . . 0.0 113.368 -179.087 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 72' ' ' VAL . . . . . . . . . . . . . 8.2 t -140.56 160.27 24.64 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.393 0 N-CA-C 107.69 -1.226 . . . . 0.0 107.69 174.708 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -117.56 129.72 55.96 Favored 'General case' 0 C--N 1.322 -0.596 0 C-N-CA 120.694 -0.402 . . . . 0.0 111.053 -179.549 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 74' ' ' PHE . . . . . 0.522 ' CG ' HD12 ' A' ' 63' ' ' LEU . 27.6 p90 -115.98 138.85 50.83 Favored 'General case' 0 C--N 1.325 -0.499 0 CA-C-O 121.05 0.452 . . . . 0.0 109.937 174.635 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 75' ' ' ARG . . . . . . . . . . . . . 82.6 mtp180 -114.97 119.62 37.13 Favored 'General case' 0 C--N 1.318 -0.795 0 CA-C-N 115.903 -0.589 . . . . 0.0 110.58 -178.406 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 76' ' ' LEU . . . . . . . . . . . . . 41.2 mt -87.53 99.19 11.85 Favored 'General case' 0 C--N 1.32 -0.712 0 N-CA-C 109.14 -0.689 . . . . 0.0 109.14 176.757 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 77' ' ' GLN . . . . . 0.401 ' HA ' ' HD3' ' A' ' 78' ' ' PRO . 14.9 mm100 -79.43 137.2 55.75 Favored Pre-proline 0 C--N 1.321 -0.649 0 CA-C-N 115.851 -0.613 . . . . 0.0 111.128 -174.03 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 78' ' ' PRO . . . . . 0.401 ' HD3' ' HA ' ' A' ' 77' ' ' GLN . 29.9 Cg_exo -62.8 -6.8 9.85 Favored 'Trans proline' 0 C--N 1.351 0.66 0 C-N-CA 123.566 2.844 . . . . 0.0 113.669 -177.039 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 79' ' ' GLN . . . . . . . . . . . . . 16.8 mm100 -84.49 -4.49 58.97 Favored 'General case' 0 C--N 1.325 -0.476 0 CA-C-O 120.951 0.405 . . . . 0.0 110.108 176.058 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 80' ' ' GLY . . . . . 0.427 ' HA2' ' HG2' ' A' ' 36' ' ' MET . . . 92.5 39.01 5.44 Favored Glycine 0 N--CA 1.446 -0.697 0 CA-C-N 115.852 -0.613 . . . . 0.0 111.868 -179.997 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 81' ' ' GLN . . . . . 0.412 ' HA ' ' O ' ' A' ' 37' ' ' GLN . 51.8 mt-30 -133.3 130.87 39.5 Favored 'General case' 0 C--N 1.326 -0.443 0 CA-C-O 120.728 0.299 . . . . 0.0 110.867 -176.542 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 82' ' ' ILE . . . . . . . . . . . . . 51.7 mt -96.44 107.6 20.02 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.676 0 N-CA-C 109.451 -0.574 . . . . 0.0 109.451 175.247 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 83' ' ' VAL . . . . . . . . . . . . . 24.8 t -108.39 126.06 65.13 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.562 0 CA-C-N 116.306 -0.406 . . . . 0.0 110.393 -177.982 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 84' ' ' LEU . . . . . . . . . . . . . 21.5 tp -87.06 144.99 26.64 Favored 'General case' 0 C--N 1.322 -0.603 0 N-CA-C 109.461 -0.57 . . . . 0.0 109.461 178.066 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 85' ' ' SER . . . . . . . . . . . . . 47.7 m -143.57 143.29 31.44 Favored 'General case' 0 C--N 1.322 -0.589 0 CA-C-O 121.304 0.573 . . . . 0.0 111.425 -178.393 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 86' ' ' ARG . . . . . . . . . . . . . 38.9 ttm180 -102.7 76.38 1.5 Allowed 'General case' 0 C--N 1.324 -0.527 0 N-CA-C 108.775 -0.824 . . . . 0.0 108.775 177.233 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 87' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.324 -0.539 0 CA-C-N 115.34 -0.845 . . . . 0.0 111.292 -174.641 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 34.2 tt0 . . . . . 0 N--CA 1.454 -0.238 0 CA-C-O 120.734 0.302 . . . . 0.0 110.955 . . . . . . . . . 0 0 . 1 . 012 nuclear orig core ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 13.9 pt20 -97.14 122.81 40.57 Favored 'General case' 0 C--N 1.323 -0.567 0 CA-C-O 121.091 0.472 . . . . 0.0 109.976 176.728 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 14' ' ' LYS . . . . . 0.541 ' O ' ' HA ' ' A' ' 56' ' ' SER . 30.2 mmmt -116.49 147.53 41.66 Favored 'General case' 0 C--N 1.321 -0.672 0 N-CA-C 109.64 -0.504 . . . . 0.0 109.64 -178.706 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 15' ' ' ASN . . . . . . . . . . . . . 27.0 t-20 -81.28 102.73 10.58 Favored 'General case' 0 C--N 1.321 -0.644 0 CA-C-O 120.973 0.416 . . . . 0.0 109.902 179.664 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 16' ' ' PHE . . . . . . . . . . . . . 80.5 m-85 -99.26 150.45 22.09 Favored 'General case' 0 C--N 1.322 -0.623 0 CA-C-N 115.993 -0.549 . . . . 0.0 110.551 -178.522 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 2.1 p-10 -138.7 89.13 2.34 Favored 'General case' 0 C--N 1.324 -0.537 0 CA-C-O 121.583 0.706 . . . . 0.0 110.217 178.911 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 18' ' ' ILE . . . . . . . . . . . . . 19.4 mm -115.16 109.27 27.78 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.51 0 CA-C-N 115.888 -0.597 . . . . 0.0 110.718 -176.524 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -73.52 161.23 30.6 Favored 'General case' 0 C--N 1.324 -0.531 0 N-CA-C 108.29 -1.004 . . . . 0.0 108.29 169.507 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -68.0 101.34 1.11 Allowed 'General case' 0 C--N 1.328 -0.337 0 CA-C-O 121.617 0.722 . . . . 0.0 110.212 -176.414 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 21' ' ' GLN . . . . . . . . . . . . . 40.5 mt-30 -106.9 165.1 13.47 Favored Pre-proline 0 C--N 1.319 -0.747 0 CA-C-N 114.609 -1.178 . . . . 0.0 109.591 175.898 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 22' ' ' PRO . . . . . . . . . . . . . 36.2 Cg_exo -61.18 129.27 27.89 Favored 'Trans proline' 0 N--CA 1.461 -0.389 0 C-N-CA 121.553 1.502 . . . . 0.0 109.433 167.662 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 23' ' ' LEU . . . . . 0.402 ' HB2' ' HB3' ' A' ' 48' ' ' MET . 11.3 mt -51.64 -31.42 25.25 Favored 'General case' 0 CA--C 1.529 0.148 0 N-CA-C 113.565 0.95 . . . . 0.0 113.565 -168.042 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 71.1 mt-30 -63.64 -47.9 79.43 Favored 'General case' 0 C--N 1.326 -0.439 0 CA-C-O 121.181 0.515 . . . . 0.0 110.718 178.446 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 7.7 m -84.74 -24.18 28.94 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-N 115.795 -0.638 . . . . 0.0 110.71 -178.732 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -59.66 -52.98 63.2 Favored 'General case' 0 CA--C 1.517 -0.288 0 CA-C-O 121.253 0.549 . . . . 0.0 110.612 177.157 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 27' ' ' MET . . . . . 0.478 ' HE2' HG12 ' A' ' 67' ' ' ILE . 22.9 mmt -74.89 -14.24 60.64 Favored 'General case' 0 C--O 1.218 -0.57 0 CA-C-N 115.476 -0.784 . . . . 0.0 110.556 -179.113 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 28' ' ' LEU . . . . . 0.491 ' O ' ' HG3' ' A' ' 32' ' ' GLU . 63.7 tp -66.93 -60.04 2.98 Favored 'General case' 0 C--N 1.318 -0.795 0 N-CA-C 108.592 -0.892 . . . . 0.0 108.592 170.737 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 29' ' ' ARG . . . . . 0.55 ' HA ' ' NE ' ' A' ' 29' ' ' ARG . 1.4 mmp_? -56.89 -46.66 81.76 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 121.04 0.447 . . . . 0.0 111.39 179.246 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 22.5 t80 -68.26 -57.21 6.34 Favored 'General case' 0 C--N 1.323 -0.573 0 CA-C-N 115.801 -0.636 . . . . 0.0 111.898 -178.16 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 31' ' ' ALA . . . . . 0.436 ' HB3' ' O ' ' A' ' 27' ' ' MET . . . -78.18 -17.88 56.22 Favored 'General case' 0 C--N 1.322 -0.593 0 N-CA-C 112.304 0.483 . . . . 0.0 112.304 -169.332 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 32' ' ' GLU . . . . . 0.491 ' HG3' ' O ' ' A' ' 28' ' ' LEU . 31.2 mt-10 -55.07 -37.86 67.32 Favored 'General case' 0 N--CA 1.471 0.58 0 CA-C-O 121.39 0.614 . . . . 0.0 109.515 170.644 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 33' ' ' GLN . . . . . . . . . . . . . 45.9 mt-30 -79.24 -21.28 46.41 Favored 'General case' 0 C--N 1.325 -0.465 0 CA-C-N 115.05 -0.977 . . . . 0.0 110.824 179.914 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -101.68 9.14 41.29 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-N 116.147 -0.479 . . . . 0.0 111.655 -178.646 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 64.54 36.55 93.3 Favored Glycine 0 CA--C 1.519 0.287 0 CA-C-N 116.099 -0.5 . . . . 0.0 112.919 178.114 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 36' ' ' MET . . . . . . . . . . . . . 73.9 mtm -146.83 176.5 9.83 Favored 'General case' 0 C--N 1.326 -0.443 0 N-CA-C 109.876 -0.416 . . . . 0.0 109.876 -178.064 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 37' ' ' GLN . . . . . . . . . . . . . 25.1 mt-30 -153.5 154.88 35.2 Favored 'General case' 0 C--N 1.327 -0.372 0 N-CA-C 109.996 -0.372 . . . . 0.0 109.996 172.29 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 38' ' ' VAL . . . . . 0.418 ' CG1' ' HB2' ' A' ' 27' ' ' MET . 7.6 p -78.14 117.51 23.58 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.36 0 CA-C-O 121.306 0.574 . . . . 0.0 110.09 179.288 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 39' ' ' PHE . . . . . . . . . . . . . 55.7 t80 -122.29 135.46 54.74 Favored 'General case' 0 C--N 1.32 -0.708 0 CA-C-N 116.034 -0.53 . . . . 0.0 110.312 -176.473 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 40' ' ' PHE . . . . . . . . . . . . . 19.1 p90 -147.07 143.68 28.52 Favored 'General case' 0 C--N 1.319 -0.753 0 CA-C-N 115.625 -0.716 . . . . 0.0 109.77 178.884 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 9.1 m-20 -73.62 -168.63 0.59 Allowed 'General case' 0 C--N 1.326 -0.45 0 CA-C-N 115.723 -0.672 . . . . 0.0 110.688 -179.168 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 46.2 mt-10 -62.35 94.53 0.06 Allowed 'General case' 0 C--N 1.328 -0.337 0 CA-C-O 121.255 0.55 . . . . 0.0 111.814 179.892 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 43' ' ' VAL . . . . . . . . . . . . . 7.1 p -150.72 134.97 8.82 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.767 0 CA-C-N 115.418 -0.81 . . . . 0.0 109.057 175.707 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 39.4 ttpt -79.12 110.74 14.65 Favored 'General case' 0 C--N 1.322 -0.621 0 CA-C-O 120.833 0.349 . . . . 0.0 110.294 -178.098 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 82.1 mt -115.22 100.11 7.9 Favored 'General case' 0 C--N 1.322 -0.62 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.107 179.397 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 17.6 t70 -112.28 133.13 54.57 Favored 'General case' 0 C--N 1.323 -0.563 0 CA-C-N 116.038 -0.528 . . . . 0.0 110.28 179.674 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 81.99 22.21 59.8 Favored Glycine 0 N--CA 1.448 -0.528 0 C-N-CA 120.72 -0.753 . . . . 0.0 112.848 177.424 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 48' ' ' MET . . . . . 0.402 ' HB3' ' HB2' ' A' ' 23' ' ' LEU . 18.9 mmt -80.62 118.37 22.13 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-O 121.041 0.448 . . . . 0.0 110.027 178.113 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 8.7 tt0 -131.72 143.82 50.54 Favored 'General case' 0 C--N 1.324 -0.521 0 CA-C-N 115.822 -0.627 . . . . 0.0 110.115 -174.089 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -83.02 153.03 25.15 Favored 'General case' 0 C--N 1.325 -0.495 0 CA-C-N 116.03 -0.532 . . . . 0.0 110.969 -178.121 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -88.37 169.27 11.96 Favored 'General case' 0 C--N 1.324 -0.5 0 CA-C-N 115.745 -0.662 . . . . 0.0 111.063 -179.841 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -68.52 104.65 1.98 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 115.965 -0.561 . . . . 0.0 110.96 -179.513 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 53' ' ' LEU . . . . . 0.443 ' CB ' HD12 ' A' ' 66' ' ' LEU . 3.4 tm? -121.16 108.12 13.4 Favored 'General case' 0 C--N 1.322 -0.609 0 CA-C-N 115.865 -0.607 . . . . 0.0 109.742 -178.304 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 54' ' ' ASN . . . . . . . . . . . . . 7.2 t30 -149.01 98.87 2.9 Favored 'General case' 0 C--N 1.323 -0.574 0 CA-C-N 116.033 -0.53 . . . . 0.0 109.739 177.35 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . 177.94 174.1 43.96 Favored Glycine 0 N--CA 1.447 -0.601 0 C-N-CA 120.777 -0.725 . . . . 0.0 112.096 -179.407 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 56' ' ' SER . . . . . 0.541 ' HA ' ' O ' ' A' ' 14' ' ' LYS . 24.5 t -97.9 104.33 16.35 Favored 'General case' 0 C--N 1.322 -0.587 0 N-CA-C 109.822 -0.436 . . . . 0.0 109.822 176.696 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 57' ' ' MET . . . . . 0.438 ' SD ' ' HA2' ' A' ' 62' ' ' GLY . 20.7 ptp -150.83 173.0 14.74 Favored 'General case' 0 C--N 1.323 -0.559 0 CA-C-N 116.297 -0.41 . . . . 0.0 110.418 -177.708 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 48.2 m -92.57 166.97 12.24 Favored 'General case' 0 C--N 1.325 -0.482 0 CA-C-N 116.394 -0.366 . . . . 0.0 111.084 -178.814 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 59' ' ' VAL . . . . . 0.453 ' O ' HD21 ' A' ' 63' ' ' LEU . 96.9 t -52.39 -48.2 45.61 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.411 0 O-C-N 123.42 0.45 . . . . 0.0 111.272 -179.431 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 60' ' ' GLU . . . . . 0.478 ' O ' ' HG3' ' A' ' 64' ' ' ARG . 20.4 mp0 -55.81 -33.86 64.81 Favored 'General case' 0 C--N 1.326 -0.438 0 CA-C-N 116.061 -0.518 . . . . 0.0 111.959 -178.41 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 61' ' ' GLN . . . . . . . . . . . . . 16.3 mm100 -89.52 -42.21 11.58 Favored 'General case' 0 C--N 1.324 -0.529 0 CA-C-O 120.684 0.278 . . . . 0.0 110.918 -177.226 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 62' ' ' GLY . . . . . 0.438 ' HA2' ' SD ' ' A' ' 57' ' ' MET . . . -62.59 -49.72 70.9 Favored Glycine 0 N--CA 1.448 -0.56 0 C-N-CA 121.094 -0.574 . . . . 0.0 112.579 -176.93 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 63' ' ' LEU . . . . . 0.453 HD21 ' O ' ' A' ' 59' ' ' VAL . 4.4 mm? -60.17 -33.98 72.96 Favored 'General case' 0 C--N 1.327 -0.382 0 N-CA-C 111.576 0.214 . . . . 0.0 111.576 -177.097 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 64' ' ' ARG . . . . . 0.478 ' HG3' ' O ' ' A' ' 60' ' ' GLU . 52.2 mtt180 -57.29 -50.13 73.88 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-O 120.877 0.37 . . . . 0.0 110.957 -179.479 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 65' ' ' ARG . . . . . . . . . . . . . 71.0 mtp180 -79.07 -38.11 37.16 Favored 'General case' 0 C--N 1.322 -0.61 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.261 -179.642 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 66' ' ' LEU . . . . . 0.443 HD12 ' CB ' ' A' ' 53' ' ' LEU . 46.0 tp -69.4 -37.28 77.42 Favored 'General case' 0 C--N 1.324 -0.526 0 N-CA-C 112.984 0.735 . . . . 0.0 112.984 -170.898 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 67' ' ' ILE . . . . . 0.478 HG12 ' HE2' ' A' ' 27' ' ' MET . 43.2 mt -80.84 -65.02 0.85 Allowed 'Isoleucine or valine' 0 C--N 1.331 -0.214 0 N-CA-C 113.206 0.817 . . . . 0.0 113.206 -171.782 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 68' ' ' GLY . . . . . 0.406 ' C ' ' H ' ' A' ' 70' ' ' ASN . . . -114.2 -63.25 0.41 Allowed Glycine 0 N--CA 1.449 -0.494 0 C-N-CA 118.905 -1.617 . . . . 0.0 115.297 -167.267 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . 83.18 -15.32 34.25 Favored Glycine 0 CA--C 1.521 0.432 0 N-CA-C 110.259 -1.136 . . . . 0.0 110.259 -166.352 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 70' ' ' ASN . . . . . 0.406 ' H ' ' C ' ' A' ' 68' ' ' GLY . 72.3 m-20 -100.68 165.68 13.88 Favored Pre-proline 0 C--N 1.328 -0.338 0 N-CA-C 108.827 -0.805 . . . . 0.0 108.827 176.674 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 71' ' ' PRO . . . . . . . . . . . . . 17.5 Cg_exo -67.31 95.45 0.38 Allowed 'Trans proline' 0 C--N 1.346 0.414 0 C-N-CA 121.723 1.615 . . . . 0.0 111.659 176.708 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 72' ' ' VAL . . . . . . . . . . . . . 12.4 p -152.49 160.39 3.27 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.607 0 N-CA-C 108.216 -1.031 . . . . 0.0 108.216 178.0 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -122.24 142.08 50.82 Favored 'General case' 0 C--N 1.32 -0.695 0 CA-C-O 121.031 0.444 . . . . 0.0 111.529 -177.978 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 74' ' ' PHE . . . . . . . . . . . . . 15.6 p90 -106.17 126.34 52.09 Favored 'General case' 0 C--N 1.318 -0.772 0 CA-C-N 115.856 -0.611 . . . . 0.0 110.135 174.408 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 75' ' ' ARG . . . . . 0.426 HH11 ' HD3' ' A' ' 75' ' ' ARG . 15.9 ttm180 -107.08 115.95 31.07 Favored 'General case' 0 C--N 1.321 -0.664 0 CA-C-N 116.05 -0.523 . . . . 0.0 109.759 -179.177 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 76' ' ' LEU . . . . . . . . . . . . . 94.2 mt -86.57 103.26 14.9 Favored 'General case' 0 C--N 1.323 -0.564 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.746 -178.764 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 77' ' ' GLN . . . . . . . . . . . . . 13.5 mm100 -72.97 130.01 85.66 Favored Pre-proline 0 C--N 1.323 -0.545 0 N-CA-C 109.344 -0.613 . . . . 0.0 109.344 177.391 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 78' ' ' PRO . . . . . . . . . . . . . 37.0 Cg_exo -61.39 -13.29 28.15 Favored 'Trans proline' 0 C--N 1.347 0.468 0 C-N-CA 122.852 2.368 . . . . 0.0 111.77 177.171 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 79' ' ' GLN . . . . . . . . . . . . . 36.7 mt-30 -69.66 -21.42 63.53 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 115.154 -0.93 . . . . 0.0 110.357 175.871 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . 107.74 33.34 3.1 Favored Glycine 0 N--CA 1.448 -0.527 0 C-N-CA 120.981 -0.628 . . . . 0.0 112.293 -179.202 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 81' ' ' GLN . . . . . . . . . . . . . 98.8 mt-30 -127.58 141.26 51.68 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-O 120.845 0.355 . . . . 0.0 111.099 -178.024 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 82' ' ' ILE . . . . . . . . . . . . . 56.3 mt -103.36 99.43 8.39 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.708 0 N-CA-C 108.926 -0.768 . . . . 0.0 108.926 173.508 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 83' ' ' VAL . . . . . . . . . . . . . 41.4 t -110.3 129.54 65.17 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.638 0 CA-C-N 116.045 -0.525 . . . . 0.0 109.887 -178.16 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 84' ' ' LEU . . . . . . . . . . . . . 9.9 mp -82.07 145.77 30.01 Favored 'General case' 0 C--N 1.321 -0.664 0 CA-C-O 121.177 0.513 . . . . 0.0 111.026 -178.837 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 85' ' ' SER . . . . . . . . . . . . . 21.4 m -133.4 159.09 41.36 Favored 'General case' 0 C--N 1.319 -0.727 0 CA-C-N 115.681 -0.691 . . . . 0.0 109.633 -179.804 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 86' ' ' ARG . . . . . . . . . . . . . 56.2 ttt180 -100.7 103.13 14.38 Favored 'General case' 0 C--N 1.325 -0.478 0 CA-C-O 121.072 0.463 . . . . 0.0 110.735 -179.547 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 87' ' ' LEU . . . . . . . . . . . . . 3.6 mm? . . . . . 0 C--N 1.321 -0.669 0 CA-C-N 115.791 -0.64 . . . . 0.0 110.121 177.789 . . . . . . . . 0 0 . 1 . 013 nuclear orig core ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 8.5 tt0 . . . . . 0 N--CA 1.453 -0.289 0 CA-C-O 121.006 0.431 . . . . 0.0 110.425 . . . . . . . . . 0 0 . 1 . 013 nuclear orig core ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 24.8 mt-30 -91.94 134.74 34.51 Favored 'General case' 0 C--N 1.322 -0.59 0 CA-C-N 115.98 -0.554 . . . . 0.0 109.784 178.242 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 14' ' ' LYS . . . . . 0.573 ' HB2' ' CE2' ' A' ' 16' ' ' PHE . 29.1 mmmt -108.72 149.32 29.17 Favored 'General case' 0 C--N 1.322 -0.612 0 N-CA-C 109.869 -0.419 . . . . 0.0 109.869 -175.307 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 15' ' ' ASN . . . . . . . . . . . . . 4.4 m-20 -80.44 99.45 8.0 Favored 'General case' 0 C--N 1.321 -0.673 0 CA-C-N 116.461 -0.336 . . . . 0.0 110.482 -178.781 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 16' ' ' PHE . . . . . 0.573 ' CE2' ' HB2' ' A' ' 14' ' ' LYS . 59.6 m-85 -103.18 136.97 41.98 Favored 'General case' 0 C--N 1.324 -0.542 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.039 -179.158 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 15.6 m120 -137.91 89.82 2.44 Favored 'General case' 0 C--N 1.325 -0.477 0 CA-C-N 115.74 -0.664 . . . . 0.0 109.733 179.42 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 18' ' ' ILE . . . . . . . . . . . . . 17.0 mm -112.65 110.05 30.8 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.689 0 CA-C-N 115.801 -0.636 . . . . 0.0 110.368 -175.362 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 19' ' ' ALA . . . . . 0.411 ' O ' ' HG3' ' A' ' 21' ' ' GLN . . . -67.45 158.45 31.78 Favored 'General case' 0 C--N 1.325 -0.486 0 N-CA-C 109.233 -0.654 . . . . 0.0 109.233 173.32 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -69.29 102.35 1.71 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 121.322 0.582 . . . . 0.0 110.714 -176.35 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 21' ' ' GLN . . . . . 0.411 ' HG3' ' O ' ' A' ' 19' ' ' ALA . 67.8 mt-30 -106.96 172.55 3.75 Favored Pre-proline 0 C--N 1.323 -0.584 0 CA-C-N 115.049 -0.978 . . . . 0.0 110.612 179.119 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 22' ' ' PRO . . . . . . . . . . . . . 35.0 Cg_exo -59.65 130.04 33.56 Favored 'Trans proline' 0 C--N 1.349 0.568 0 C-N-CA 121.857 1.705 . . . . 0.0 109.369 165.337 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -49.31 -43.51 43.54 Favored 'General case' 0 N--CA 1.469 0.495 0 N-CA-C 112.987 0.736 . . . . 0.0 112.987 -167.339 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 24' ' ' GLN . . . . . 0.569 ' O ' ' HG ' ' A' ' 28' ' ' LEU . 80.2 mt-30 -62.74 -50.24 71.87 Favored 'General case' 0 C--N 1.325 -0.47 0 CA-C-O 120.728 0.299 . . . . 0.0 110.696 -179.111 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 17.5 m -72.19 -25.37 61.65 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-O 120.985 0.421 . . . . 0.0 110.826 179.946 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -56.47 -54.8 41.47 Favored 'General case' 0 CA--C 1.512 -0.507 0 CA-C-N 115.611 -0.722 . . . . 0.0 111.213 179.489 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 27' ' ' MET . . . . . 0.614 ' HB2' ' CG1' ' A' ' 38' ' ' VAL . 18.9 mmt -78.41 -13.69 59.73 Favored 'General case' 0 C--N 1.318 -0.804 0 CA-C-N 115.207 -0.906 . . . . 0.0 111.058 -173.728 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 28' ' ' LEU . . . . . 0.569 ' HG ' ' O ' ' A' ' 24' ' ' GLN . 77.1 mt -70.47 -24.07 62.8 Favored 'General case' 0 C--N 1.324 -0.536 0 C-N-CA 119.998 -0.681 . . . . 0.0 109.289 172.59 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 29' ' ' ARG . . . . . 0.572 ' HA ' ' NE ' ' A' ' 29' ' ' ARG . 2.4 mmp_? -84.97 -50.46 7.46 Favored 'General case' 0 C--N 1.325 -0.484 0 CA-C-N 116.292 -0.413 . . . . 0.0 110.074 173.949 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 30' ' ' PHE . . . . . 0.424 ' HB3' ' HA ' ' A' ' 27' ' ' MET . 38.4 t80 -62.1 -55.93 23.93 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 115.833 -0.621 . . . . 0.0 111.648 179.896 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -72.29 -42.77 65.13 Favored 'General case' 0 C--N 1.322 -0.629 0 CA-C-N 116.141 -0.481 . . . . 0.0 112.103 -171.467 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 32' ' ' GLU . . . . . 0.489 ' HB2' ' O ' ' A' ' 28' ' ' LEU . 5.3 mm-40 -65.3 -22.72 66.87 Favored 'General case' 0 N--CA 1.465 0.316 0 C-N-CA 120.567 -0.453 . . . . 0.0 111.25 -176.66 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 33' ' ' GLN . . . . . . . . . . . . . 24.9 mm-40 -79.17 -29.49 43.02 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-O 120.992 0.425 . . . . 0.0 110.366 173.327 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -89.32 -9.85 48.95 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.006 -0.543 . . . . 0.0 111.546 179.624 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 97.32 27.79 9.01 Favored Glycine 0 CA--C 1.52 0.399 0 C-N-CA 121.059 -0.591 . . . . 0.0 112.704 178.851 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 36' ' ' MET . . . . . . . . . . . . . 71.8 mtm -136.69 175.56 9.5 Favored 'General case' 0 C--N 1.324 -0.522 0 C-N-CA 122.6 0.36 . . . . 0.0 110.392 -178.787 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 37' ' ' GLN . . . . . 0.513 ' O ' ' HA ' ' A' ' 81' ' ' GLN . 53.7 tt0 -152.57 160.95 43.18 Favored 'General case' 0 C--N 1.324 -0.537 0 N-CA-C 109.025 -0.731 . . . . 0.0 109.025 176.878 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 38' ' ' VAL . . . . . 0.614 ' CG1' ' HB2' ' A' ' 27' ' ' MET . 31.6 m -76.97 145.54 10.05 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.389 0 CA-C-O 120.806 0.336 . . . . 0.0 111.227 -176.578 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 39' ' ' PHE . . . . . . . . . . . . . 92.5 t80 -115.04 98.62 6.91 Favored 'General case' 0 C--N 1.324 -0.529 0 N-CA-C 109.645 -0.502 . . . . 0.0 109.645 174.683 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 40' ' ' PHE . . . . . . . . . . . . . 93.1 m-85 -146.92 137.1 23.48 Favored 'General case' 0 C--N 1.321 -0.649 0 CA-C-N 115.638 -0.71 . . . . 0.0 109.595 179.013 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 8.7 p-10 -83.77 -159.64 0.39 Allowed 'General case' 0 C--N 1.325 -0.475 0 N-CA-C 109.411 -0.588 . . . . 0.0 109.411 177.107 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 46.4 mt-10 -67.34 89.07 0.2 Allowed 'General case' 0 C--N 1.325 -0.458 0 CA-C-O 121.179 0.514 . . . . 0.0 110.599 179.208 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 43' ' ' VAL . . . . . . . . . . . . . 7.0 p -123.02 121.27 62.75 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.68 0 CA-C-N 115.806 -0.633 . . . . 0.0 109.613 177.849 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 27.1 ttpp -125.32 100.66 6.61 Favored 'General case' 0 C--N 1.318 -0.771 0 CA-C-N 115.962 -0.563 . . . . 0.0 110.145 -177.216 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 35.0 tp -131.55 120.06 22.37 Favored 'General case' 0 C--N 1.321 -0.636 0 CA-C-N 116.043 -0.526 . . . . 0.0 110.163 -178.164 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 32.3 t70 -72.81 120.37 18.34 Favored 'General case' 0 C--N 1.323 -0.56 0 CA-C-N 116.318 -0.401 . . . . 0.0 110.228 179.693 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 123.41 4.13 8.39 Favored Glycine 0 N--CA 1.443 -0.861 0 C-N-CA 120.71 -0.757 . . . . 0.0 112.317 -177.839 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 48' ' ' MET . . . . . . . . . . . . . 53.5 mtt -75.65 117.73 17.73 Favored 'General case' 0 C--N 1.327 -0.374 0 N-CA-C 109.703 -0.48 . . . . 0.0 109.703 174.727 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 3.6 pt20 -153.21 155.47 36.7 Favored 'General case' 0 C--N 1.322 -0.626 0 CA-C-N 116.491 -0.322 . . . . 0.0 110.327 -176.42 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -102.09 145.95 28.62 Favored 'General case' 0 C--N 1.32 -0.708 0 CA-C-N 116.123 -0.489 . . . . 0.0 110.464 178.849 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -78.17 160.52 27.95 Favored 'General case' 0 C--N 1.323 -0.573 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.281 177.067 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -69.3 92.68 0.59 Allowed 'General case' 0 C--N 1.327 -0.4 0 CA-C-O 121.173 0.511 . . . . 0.0 111.154 -178.5 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 3.0 tm? -91.38 123.81 35.09 Favored 'General case' 0 C--N 1.324 -0.541 0 CA-C-N 115.572 -0.74 . . . . 0.0 109.802 -179.201 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 54' ' ' ASN . . . . . . . . . . . . . 20.3 p-10 -157.76 99.19 1.69 Allowed 'General case' 0 C--N 1.322 -0.596 0 CA-C-O 121.327 0.584 . . . . 0.0 110.49 176.43 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . 178.37 161.63 26.66 Favored Glycine 0 N--CA 1.445 -0.766 0 C-N-CA 120.335 -0.935 . . . . 0.0 112.624 179.29 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 4.0 p -84.08 99.71 10.64 Favored 'General case' 0 C--N 1.321 -0.651 0 CA-C-O 121.13 0.49 . . . . 0.0 109.772 174.211 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 57' ' ' MET . . . . . 0.437 ' HB2' ' HB2' ' A' ' 61' ' ' GLN . 23.1 ptp -155.2 168.52 26.78 Favored 'General case' 0 C--N 1.322 -0.616 0 CA-C-N 115.922 -0.581 . . . . 0.0 110.146 -174.483 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 13.3 m -99.2 178.0 5.04 Favored 'General case' 0 C--N 1.322 -0.619 0 CA-C-N 116.45 -0.341 . . . . 0.0 110.552 179.789 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 59' ' ' VAL . . . . . . . . . . . . . 24.9 t -58.85 -40.46 80.08 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.293 0 CA-C-O 120.585 0.231 . . . . 0.0 111.152 -175.774 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 22.3 mm-40 -51.67 -38.4 54.78 Favored 'General case' 0 C--N 1.331 -0.213 0 CA-C-N 115.912 -0.585 . . . . 0.0 111.589 178.671 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 61' ' ' GLN . . . . . 0.437 ' HB2' ' HB2' ' A' ' 57' ' ' MET . 32.0 mt-30 -90.95 -47.46 7.57 Favored 'General case' 0 C--N 1.323 -0.577 0 CA-C-N 115.721 -0.672 . . . . 0.0 110.49 -177.555 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 62' ' ' GLY . . . . . 0.456 ' O ' ' HB2' ' A' ' 66' ' ' LEU . . . -63.88 -59.92 7.97 Favored Glycine 0 C--O 1.225 -0.418 0 CA-C-N 115.303 -0.862 . . . . 0.0 113.034 -174.789 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 63' ' ' LEU . . . . . 0.453 ' O ' HD12 ' A' ' 63' ' ' LEU . 1.3 tm? -56.73 -38.16 71.98 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-O 121.386 0.612 . . . . 0.0 109.782 -177.478 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 64' ' ' ARG . . . . . . . . . . . . . 47.4 ttt180 -51.12 -60.14 3.42 Favored 'General case' 0 N--CA 1.446 -0.666 0 CA-C-N 114.9 -1.046 . . . . 0.0 111.446 177.92 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 65' ' ' ARG . . . . . . . . . . . . . 96.7 mtt180 -77.46 -22.31 51.59 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 116.373 -0.376 . . . . 0.0 111.294 -178.236 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 66' ' ' LEU . . . . . 0.456 ' HB2' ' O ' ' A' ' 62' ' ' GLY . 1.0 OUTLIER -65.5 -41.53 93.14 Favored 'General case' 0 C--N 1.323 -0.554 0 CA-C-N 115.872 -0.603 . . . . 0.0 112.247 -176.122 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 67' ' ' ILE . . . . . 0.405 HG21 ' CD1' ' A' ' 84' ' ' LEU . 13.8 mt -90.05 -63.56 1.34 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 N-CA-C 113.541 0.941 . . . . 0.0 113.541 -170.819 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . -113.51 -61.61 0.42 Allowed Glycine 0 N--CA 1.448 -0.531 0 C-N-CA 119.095 -1.526 . . . . 0.0 114.563 -169.042 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . 91.16 -20.71 38.54 Favored Glycine 0 N--CA 1.45 -0.368 0 N-CA-C 109.885 -1.286 . . . . 0.0 109.885 -166.136 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 70' ' ' ASN . . . . . . . . . . . . . 16.7 m120 -101.54 155.91 35.81 Favored Pre-proline 0 C--N 1.329 -0.306 0 CA-C-N 114.77 -0.715 . . . . 0.0 109.595 176.153 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 71' ' ' PRO . . . . . . . . . . . . . 30.7 Cg_endo -64.69 98.21 0.29 Allowed 'Trans proline' 0 C--N 1.346 0.414 0 C-N-CA 122.625 2.217 . . . . 0.0 113.515 -177.861 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 72' ' ' VAL . . . . . . . . . . . . . 0.2 OUTLIER -138.3 159.8 32.12 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.4 0 N-CA-C 107.01 -1.478 . . . . 0.0 107.01 171.977 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -113.71 119.26 36.78 Favored 'General case' 0 C--N 1.325 -0.483 0 CA-C-N 118.697 0.681 . . . . 0.0 112.23 -168.85 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 74' ' ' PHE . . . . . 0.448 ' CD2' HD13 ' A' ' 63' ' ' LEU . 35.3 p90 -113.27 151.47 31.06 Favored 'General case' 0 C--N 1.322 -0.6 0 N-CA-C 109.682 -0.488 . . . . 0.0 109.682 177.317 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 75' ' ' ARG . . . . . . . . . . . . . 20.4 ptp180 -136.74 137.68 40.15 Favored 'General case' 0 C--N 1.325 -0.496 0 C-N-CA 120.626 -0.429 . . . . 0.0 110.442 -179.824 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 76' ' ' LEU . . . . . 0.426 HD11 HG12 ' A' ' 82' ' ' ILE . 1.8 mm? -95.83 103.52 15.41 Favored 'General case' 0 C--N 1.323 -0.549 0 N-CA-C 109.389 -0.597 . . . . 0.0 109.389 179.008 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 77' ' ' GLN . . . . . . . . . . . . . 11.9 mm100 -67.96 144.29 97.01 Favored Pre-proline 0 C--N 1.323 -0.578 0 CA-C-N 116.367 -0.378 . . . . 0.0 110.331 -178.725 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 78' ' ' PRO . . . . . . . . . . . . . 35.1 Cg_endo -64.98 -7.13 14.31 Favored 'Trans proline' 0 C--N 1.349 0.569 0 C-N-CA 123.165 2.577 . . . . 0.0 112.984 -174.826 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 79' ' ' GLN . . . . . . . . . . . . . 24.9 mt-30 -86.92 -3.25 59.06 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-O 121.246 0.546 . . . . 0.0 110.004 175.389 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . 86.8 49.15 4.18 Favored Glycine 0 N--CA 1.443 -0.873 0 CA-C-N 115.622 -0.717 . . . . 0.0 111.64 -177.618 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 81' ' ' GLN . . . . . 0.513 ' HA ' ' O ' ' A' ' 37' ' ' GLN . 35.8 mt-30 -126.91 136.34 52.17 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-O 120.789 0.328 . . . . 0.0 110.903 -178.287 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 82' ' ' ILE . . . . . 0.426 HG12 HD11 ' A' ' 76' ' ' LEU . 39.9 mt -102.22 118.19 48.7 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.617 0 CA-C-N 115.967 -0.561 . . . . 0.0 109.764 175.542 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 83' ' ' VAL . . . . . . . . . . . . . 12.5 p -134.21 140.98 44.96 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.592 0 CA-C-O 121.069 0.461 . . . . 0.0 110.527 178.641 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 84' ' ' LEU . . . . . 0.405 ' CD1' HG21 ' A' ' 67' ' ' ILE . 1.6 tt -108.82 135.02 50.72 Favored 'General case' 0 N--CA 1.444 -0.765 0 N-CA-C 109.185 -0.672 . . . . 0.0 109.185 -177.415 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 85' ' ' SER . . . . . . . . . . . . . 10.9 p -122.21 128.37 51.1 Favored 'General case' 0 C--N 1.322 -0.63 0 N-CA-C 109.592 -0.521 . . . . 0.0 109.592 179.353 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 86' ' ' ARG . . . . . . . . . . . . . 50.5 ttp180 -88.53 95.15 10.12 Favored 'General case' 0 C--N 1.322 -0.616 0 CA-C-O 121.266 0.555 . . . . 0.0 110.633 -176.949 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 87' ' ' LEU . . . . . . . . . . . . . 3.2 mm? . . . . . 0 C--N 1.32 -0.683 0 CA-C-N 115.55 -0.75 . . . . 0.0 109.813 175.722 . . . . . . . . 0 0 . 1 . 014 nuclear orig core ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 10.7 pt20 . . . . . 0 N--CA 1.453 -0.298 0 CA-C-O 121.064 0.459 . . . . 0.0 110.139 . . . . . . . . . 0 0 . 1 . 014 nuclear orig core ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 26.8 mt-30 -96.03 117.22 30.24 Favored 'General case' 0 C--N 1.321 -0.673 0 CA-C-O 121.05 0.452 . . . . 0.0 110.604 178.556 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 14' ' ' LYS . . . . . 0.46 ' HB2' ' CE2' ' A' ' 16' ' ' PHE . 46.0 mmtm -109.85 146.37 35.19 Favored 'General case' 0 C--N 1.315 -0.904 0 CA-C-N 115.63 -0.714 . . . . 0.0 109.646 176.204 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 15' ' ' ASN . . . . . . . . . . . . . 4.8 m-20 -80.0 103.25 9.76 Favored 'General case' 0 C--N 1.322 -0.587 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.244 179.973 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 16' ' ' PHE . . . . . 0.46 ' CE2' ' HB2' ' A' ' 14' ' ' LYS . 68.2 m-85 -109.68 132.59 54.01 Favored 'General case' 0 C--N 1.321 -0.657 0 CA-C-N 115.851 -0.613 . . . . 0.0 110.745 -179.548 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 48.5 t-20 -143.07 100.56 3.66 Favored 'General case' 0 C--N 1.322 -0.615 0 N-CA-C 108.735 -0.839 . . . . 0.0 108.735 173.777 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 18' ' ' ILE . . . . . . . . . . . . . 5.6 mt -123.46 110.06 25.04 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.648 0 CA-C-N 116.065 -0.516 . . . . 0.0 110.42 -176.266 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -63.85 147.65 51.31 Favored 'General case' 0 C--N 1.326 -0.427 0 N-CA-C 108.991 -0.744 . . . . 0.0 108.991 172.333 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -63.36 103.41 0.5 Allowed 'General case' 0 C--N 1.33 -0.254 0 CA-C-O 121.602 0.715 . . . . 0.0 111.248 -173.383 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 21' ' ' GLN . . . . . . . . . . . . . 38.8 mt-30 -106.38 172.57 3.8 Favored Pre-proline 0 C--N 1.317 -0.821 0 CA-C-N 114.727 -1.124 . . . . 0.0 109.953 175.685 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 22' ' ' PRO . . . . . . . . . . . . . 69.7 Cg_exo -52.66 135.01 55.47 Favored 'Trans proline' 0 C--N 1.345 0.393 0 C-N-CA 121.819 1.68 . . . . 0.0 109.867 166.327 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -55.07 -34.58 63.73 Favored 'General case' 0 N--CA 1.463 0.21 0 CA-C-N 115.385 -0.825 . . . . 0.0 112.148 -168.35 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 18.1 mp0 -65.07 -47.0 78.83 Favored 'General case' 0 C--N 1.325 -0.462 0 CA-C-O 120.987 0.422 . . . . 0.0 110.174 179.718 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 12.7 m -74.81 -30.54 61.44 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-N 115.717 -0.674 . . . . 0.0 110.864 -178.404 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -56.78 -57.95 10.21 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 115.93 -0.577 . . . . 0.0 111.253 -179.268 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 27' ' ' MET . . . . . 0.572 ' HB2' ' CG2' ' A' ' 38' ' ' VAL . 10.8 mmt -82.73 -14.08 55.18 Favored 'General case' 0 CA--C 1.507 -0.676 0 CA-C-N 116.03 -0.532 . . . . 0.0 110.274 -177.409 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 28' ' ' LEU . . . . . 0.62 ' O ' ' HG3' ' A' ' 32' ' ' GLU . 9.7 tt -61.42 -47.83 83.96 Favored 'General case' 0 C--N 1.322 -0.596 0 N-CA-C 107.833 -1.173 . . . . 0.0 107.833 169.279 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 29' ' ' ARG . . . . . 0.419 ' HD3' ' OE1' ' A' ' 32' ' ' GLU . 25.7 mmt180 -64.03 -47.19 81.22 Favored 'General case' 0 C--N 1.331 -0.213 0 CA-C-N 116.035 -0.53 . . . . 0.0 111.596 178.791 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 30' ' ' PHE . . . . . 0.435 ' CE2' HD21 ' A' ' 63' ' ' LEU . 6.3 t80 -61.69 -56.21 22.18 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-O 121.133 0.492 . . . . 0.0 110.848 177.695 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -68.33 -17.45 64.26 Favored 'General case' 0 C--N 1.324 -0.529 0 CA-C-N 115.847 -0.615 . . . . 0.0 111.208 -174.053 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 32' ' ' GLU . . . . . 0.62 ' HG3' ' O ' ' A' ' 28' ' ' LEU . 18.9 mt-10 -55.86 -31.97 63.24 Favored 'General case' 0 N--CA 1.47 0.536 0 CA-C-O 120.95 0.405 . . . . 0.0 110.737 171.971 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 33' ' ' GLN . . . . . . . . . . . . . 70.7 mt-30 -84.19 -33.2 24.22 Favored 'General case' 0 C--N 1.325 -0.478 0 CA-C-O 121.011 0.434 . . . . 0.0 110.671 -179.315 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -85.22 -26.12 26.91 Favored 'General case' 0 C--N 1.323 -0.557 0 CA-C-N 115.932 -0.577 . . . . 0.0 111.829 -175.046 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 100.1 33.3 5.25 Favored Glycine 0 N--CA 1.45 -0.418 0 C-N-CA 121.138 -0.553 . . . . 0.0 112.08 -179.299 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 36' ' ' MET . . . . . . . . . . . . . 1.1 mpp? -135.5 176.65 8.49 Favored 'General case' 0 C--N 1.323 -0.55 0 CA-C-O 120.896 0.379 . . . . 0.0 110.832 -175.573 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 37' ' ' GLN . . . . . . . . . . . . . 36.0 tt0 -150.41 159.98 44.08 Favored 'General case' 0 C--N 1.323 -0.56 0 N-CA-C 108.985 -0.746 . . . . 0.0 108.985 177.461 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 38' ' ' VAL . . . . . 0.572 ' CG2' ' HB2' ' A' ' 27' ' ' MET . 60.1 t -77.44 133.13 31.31 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-O 120.666 0.27 . . . . 0.0 110.504 -178.241 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 39' ' ' PHE . . . . . . . . . . . . . 85.0 t80 -119.59 125.49 48.91 Favored 'General case' 0 C--N 1.326 -0.428 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.861 -179.885 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 40' ' ' PHE . . . . . . . . . . . . . 8.0 m-85 -90.31 101.06 13.78 Favored 'General case' 0 C--N 1.321 -0.638 0 CA-C-N 115.782 -0.644 . . . . 0.0 110.511 177.712 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 26.7 t70 -82.94 -67.79 0.76 Allowed 'General case' 0 C--N 1.326 -0.415 0 N-CA-C 109.634 -0.506 . . . . 0.0 109.634 177.381 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 42.0 mt-10 -136.79 87.79 2.32 Favored 'General case' 0 C--N 1.321 -0.642 0 CA-C-N 115.944 -0.571 . . . . 0.0 109.762 172.594 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 43' ' ' VAL . . . . . . . . . . . . . 5.1 p -165.04 119.83 0.12 Allowed 'Isoleucine or valine' 0 C--N 1.319 -0.728 0 CA-C-O 121.351 0.596 . . . . 0.0 110.834 179.433 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 26.9 ttpp -126.52 90.67 3.21 Favored 'General case' 0 C--N 1.321 -0.652 0 CA-C-N 115.627 -0.715 . . . . 0.0 109.584 177.521 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 89.1 mt -129.52 99.14 5.07 Favored 'General case' 0 C--N 1.32 -0.701 0 CA-C-N 115.95 -0.568 . . . . 0.0 109.952 -179.718 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 6.9 p-10 -73.63 131.15 41.37 Favored 'General case' 0 C--N 1.322 -0.587 0 N-CA-C 109.638 -0.504 . . . . 0.0 109.638 177.355 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 87.37 21.96 46.26 Favored Glycine 0 N--CA 1.445 -0.727 0 C-N-CA 120.5 -0.857 . . . . 0.0 112.189 -178.498 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 48' ' ' MET . . . . . . . . . . . . . 13.3 ptp -70.08 133.85 47.6 Favored 'General case' 0 C--O 1.234 0.252 0 CA-C-O 120.921 0.391 . . . . 0.0 110.407 177.891 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 79.1 mt-30 -132.04 165.57 23.69 Favored 'General case' 0 C--N 1.322 -0.587 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.88 -176.249 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -107.46 167.36 9.99 Favored 'General case' 0 C--N 1.321 -0.631 0 CA-C-N 115.77 -0.65 . . . . 0.0 110.111 177.871 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -86.93 167.81 13.95 Favored 'General case' 0 C--N 1.323 -0.544 0 CA-C-N 116.318 -0.401 . . . . 0.0 110.721 179.578 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -74.66 89.24 2.23 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-O 121.274 0.559 . . . . 0.0 110.769 -179.571 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 53' ' ' LEU . . . . . 0.437 ' HG ' ' HG ' ' A' ' 66' ' ' LEU . 2.8 tm? -80.3 123.24 27.81 Favored 'General case' 0 C--N 1.32 -0.689 0 CA-C-N 115.423 -0.808 . . . . 0.0 110.177 -178.065 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 54' ' ' ASN . . . . . . . . . . . . . 44.7 t30 -154.32 99.47 2.21 Favored 'General case' 0 C--N 1.322 -0.587 0 N-CA-C 109.91 -0.404 . . . . 0.0 109.91 174.442 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . 177.45 162.32 27.45 Favored Glycine 0 N--CA 1.447 -0.63 0 C-N-CA 120.342 -0.932 . . . . 0.0 112.818 178.548 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 12.6 p -94.07 113.28 25.22 Favored 'General case' 0 C--N 1.321 -0.636 0 N-CA-C 109.344 -0.613 . . . . 0.0 109.344 173.373 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 57' ' ' MET . . . . . 0.592 ' SD ' ' HA2' ' A' ' 62' ' ' GLY . 19.3 ptp -157.85 -178.96 7.7 Favored 'General case' 0 C--N 1.324 -0.537 0 CA-C-N 116.498 -0.319 . . . . 0.0 110.79 -172.994 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 14.7 m -96.09 170.43 9.28 Favored 'General case' 0 C--N 1.325 -0.477 0 CA-C-N 116.368 -0.378 . . . . 0.0 110.067 179.322 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 59' ' ' VAL . . . . . . . . . . . . . 70.9 t -54.17 -49.6 61.2 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.295 0 CA-C-O 120.796 0.332 . . . . 0.0 110.971 -179.575 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 60' ' ' GLU . . . . . 0.486 ' O ' ' HG3' ' A' ' 64' ' ' ARG . 46.8 mt-10 -53.74 -56.86 13.65 Favored 'General case' 0 C--N 1.324 -0.536 0 CA-C-N 115.595 -0.729 . . . . 0.0 111.454 -179.515 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 61' ' ' GLN . . . . . . . . . . . . . 26.8 mt-30 -63.94 -37.1 86.18 Favored 'General case' 0 C--N 1.326 -0.428 0 CA-C-N 115.992 -0.549 . . . . 0.0 111.102 -179.1 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 62' ' ' GLY . . . . . 0.592 ' HA2' ' SD ' ' A' ' 57' ' ' MET . . . -62.47 -53.42 41.9 Favored Glycine 0 N--CA 1.447 -0.631 0 CA-C-N 115.792 -0.64 . . . . 0.0 112.454 -178.931 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 63' ' ' LEU . . . . . 0.435 HD21 ' CE2' ' A' ' 30' ' ' PHE . 4.1 mm? -59.33 -38.98 81.71 Favored 'General case' 0 C--N 1.325 -0.479 0 N-CA-C 111.809 0.3 . . . . 0.0 111.809 -177.967 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 64' ' ' ARG . . . . . 0.486 ' HG3' ' O ' ' A' ' 60' ' ' GLU . 75.0 mtp180 -56.14 -44.98 79.73 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 116.006 -0.543 . . . . 0.0 111.511 178.785 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 65' ' ' ARG . . . . . . . . . . . . . 67.8 ttt180 -80.18 -29.62 38.7 Favored 'General case' 0 C--N 1.322 -0.613 0 CA-C-O 121.104 0.478 . . . . 0.0 110.614 177.841 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 66' ' ' LEU . . . . . 0.437 ' HG ' ' HG ' ' A' ' 53' ' ' LEU . 3.5 mt -70.78 -48.85 52.12 Favored 'General case' 0 C--N 1.322 -0.596 0 CA-C-N 115.617 -0.72 . . . . 0.0 112.803 -174.871 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 67' ' ' ILE . . . . . 0.429 HG12 ' HE2' ' A' ' 27' ' ' MET . 60.9 mt -88.54 -65.25 0.98 Allowed 'Isoleucine or valine' 0 C--N 1.331 -0.226 0 N-CA-C 113.359 0.874 . . . . 0.0 113.359 -170.255 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 68' ' ' GLY . . . . . 0.416 ' C ' ' H ' ' A' ' 70' ' ' ASN . . . -114.36 -62.17 0.4 Allowed Glycine 0 N--CA 1.448 -0.534 0 C-N-CA 119.046 -1.549 . . . . 0.0 115.475 -165.838 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . 85.63 -21.11 15.3 Favored Glycine 0 N--CA 1.449 -0.462 0 N-CA-C 109.846 -1.301 . . . . 0.0 109.846 -164.339 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 70' ' ' ASN . . . . . 0.416 ' H ' ' C ' ' A' ' 68' ' ' GLY . 9.0 p30 -101.71 154.13 37.49 Favored Pre-proline 0 C--N 1.329 -0.325 0 CA-C-N 114.748 -0.726 . . . . 0.0 109.299 174.542 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 71' ' ' PRO . . . . . . . . . . . . . 29.5 Cg_endo -63.73 98.59 0.24 Allowed 'Trans proline' 0 C--N 1.347 0.487 0 C-N-CA 122.461 2.107 . . . . 0.0 113.051 -177.232 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 72' ' ' VAL . . . . . . . . . . . . . 14.2 p -144.1 145.22 22.01 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.57 0 N-CA-C 107.779 -1.193 . . . . 0.0 107.779 173.606 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -97.45 139.69 33.01 Favored 'General case' 0 C--N 1.321 -0.672 0 CA-C-O 121.001 0.429 . . . . 0.0 112.107 -167.231 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 74' ' ' PHE . . . . . . . . . . . . . 5.5 p90 -123.4 131.42 53.64 Favored 'General case' 0 C--N 1.323 -0.568 0 CA-C-N 115.874 -0.603 . . . . 0.0 109.751 174.907 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 75' ' ' ARG . . . . . . . . . . . . . 76.7 mtp180 -110.48 114.91 28.7 Favored 'General case' 0 C--N 1.32 -0.676 0 CA-C-O 120.991 0.424 . . . . 0.0 110.63 -179.626 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 76' ' ' LEU . . . . . . . . . . . . . 46.3 mt -86.32 99.26 11.46 Favored 'General case' 0 C--N 1.322 -0.618 0 CA-C-N 115.588 -0.733 . . . . 0.0 109.685 179.388 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 77' ' ' GLN . . . . . . . . . . . . . 88.2 mt-30 -104.88 132.4 20.92 Favored Pre-proline 0 C--N 1.323 -0.586 0 CA-C-O 120.868 0.366 . . . . 0.0 111.21 -175.886 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 78' ' ' PRO . . . . . . . . . . . . . 37.7 Cg_endo -65.74 -5.23 11.36 Favored 'Trans proline' 0 C--N 1.347 0.487 0 C-N-CA 123.446 2.764 . . . . 0.0 112.394 -178.455 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 79' ' ' GLN . . . . . . . . . . . . . 78.8 mt-30 -67.05 -12.39 59.78 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 115.909 -0.587 . . . . 0.0 110.251 174.299 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . 99.13 34.52 5.09 Favored Glycine 0 N--CA 1.445 -0.726 0 CA-C-N 115.771 -0.65 . . . . 0.0 112.343 177.224 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 81' ' ' GLN . . . . . . . . . . . . . 30.0 pt20 -147.84 146.69 29.2 Favored 'General case' 0 C--N 1.325 -0.488 0 CA-C-O 121.126 0.489 . . . . 0.0 111.431 -177.338 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 82' ' ' ILE . . . . . . . . . . . . . 51.3 mt -105.56 99.8 9.24 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.594 0 N-CA-C 108.575 -0.898 . . . . 0.0 108.575 173.172 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 83' ' ' VAL . . . . . . . . . . . . . 57.2 t -88.46 118.6 34.28 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.646 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.595 -176.352 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 84' ' ' LEU . . . . . . . . . . . . . 19.3 tp -79.07 137.89 37.73 Favored 'General case' 0 C--N 1.323 -0.547 0 N-CA-C 109.111 -0.7 . . . . 0.0 109.111 175.547 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 85' ' ' SER . . . . . . . . . . . . . 50.0 m -142.47 167.23 22.58 Favored 'General case' 0 C--N 1.318 -0.797 0 CA-C-O 120.741 0.305 . . . . 0.0 110.253 -176.904 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 86' ' ' ARG . . . . . . . . . . . . . 38.1 ptt180 -106.49 164.67 11.86 Favored 'General case' 0 N--CA 1.445 -0.701 0 CA-C-N 116.429 -0.35 . . . . 0.0 110.357 179.643 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 87' ' ' LEU . . . . . 0.434 ' N ' HD21 ' A' ' 87' ' ' LEU . 1.5 pt? . . . . . 0 C--N 1.319 -0.731 0 CA-C-N 115.945 -0.57 . . . . 0.0 109.894 -179.883 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 16.7 pt20 . . . . . 0 N--CA 1.455 -0.204 0 CA-C-O 120.86 0.362 . . . . 0.0 111.004 . . . . . . . . . 0 0 . 1 . 015 nuclear orig core ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 14.2 pt20 -147.66 124.35 11.15 Favored 'General case' 0 C--N 1.324 -0.514 0 CA-C-N 115.895 -0.593 . . . . 0.0 109.565 174.95 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 14' ' ' LYS . . . . . 0.53 ' HB2' ' CZ ' ' A' ' 16' ' ' PHE . 48.0 mmtm -132.42 163.29 29.08 Favored 'General case' 0 C--N 1.322 -0.604 0 CA-C-N 116.376 -0.375 . . . . 0.0 110.056 -177.387 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 15' ' ' ASN . . . . . . . . . . . . . 53.2 t30 -96.24 108.72 21.24 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-O 121.096 0.474 . . . . 0.0 110.052 178.276 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 16' ' ' PHE . . . . . 0.534 ' O ' ' HA ' ' A' ' 54' ' ' ASN . 82.4 m-85 -107.18 149.4 27.74 Favored 'General case' 0 C--N 1.32 -0.713 0 CA-C-N 116.061 -0.518 . . . . 0.0 110.898 -176.58 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 17' ' ' ASN . . . . . 0.406 ' HA ' ' O ' ' A' ' 53' ' ' LEU . 9.0 t30 -142.1 101.05 3.85 Favored 'General case' 0 C--N 1.324 -0.54 0 CA-C-N 115.908 -0.587 . . . . 0.0 109.439 175.774 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 18' ' ' ILE . . . . . 0.453 ' HB ' ' HB3' ' A' ' 53' ' ' LEU . 16.7 mm -120.31 113.81 41.68 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.54 0 CA-C-N 115.824 -0.626 . . . . 0.0 110.591 -174.689 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -72.46 161.48 30.76 Favored 'General case' 0 C--O 1.237 0.411 0 N-CA-C 109.351 -0.611 . . . . 0.0 109.351 172.336 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -67.37 102.48 1.11 Allowed 'General case' 0 C--N 1.331 -0.217 0 CA-C-O 121.331 0.586 . . . . 0.0 110.962 -175.616 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 21' ' ' GLN . . . . . 0.421 ' HB3' ' HD2' ' A' ' 22' ' ' PRO . 40.1 mt-30 -108.85 178.23 1.09 Allowed Pre-proline 0 C--N 1.318 -0.764 0 CA-C-N 115.103 -0.953 . . . . 0.0 110.196 175.002 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 22' ' ' PRO . . . . . 0.421 ' HD2' ' HB3' ' A' ' 21' ' ' GLN . 32.2 Cg_exo -60.84 137.1 70.43 Favored 'Trans proline' 0 C--N 1.346 0.425 0 C-N-CA 121.504 1.469 . . . . 0.0 109.453 163.986 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 24.2 tp -51.7 -39.08 57.67 Favored 'General case' 0 C--N 1.328 -0.334 0 N-CA-C 112.331 0.493 . . . . 0.0 112.331 -166.427 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 25.0 mt-30 -64.22 -52.96 56.25 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.821 0.344 . . . . 0.0 110.85 179.013 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 16.1 m -64.47 -30.78 71.81 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-O 121.17 0.51 . . . . 0.0 110.418 179.316 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -58.22 -57.4 13.04 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 115.663 -0.699 . . . . 0.0 111.104 177.352 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 27' ' ' MET . . . . . 0.464 ' HA ' ' HB3' ' A' ' 30' ' ' PHE . 48.6 mtt -74.67 -18.99 60.44 Favored 'General case' 0 C--N 1.325 -0.457 0 CA-C-N 115.81 -0.632 . . . . 0.0 110.607 -177.681 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 28' ' ' LEU . . . . . 0.424 ' O ' ' HB3' ' A' ' 32' ' ' GLU . 8.3 tt -63.58 -38.85 92.68 Favored 'General case' 0 C--N 1.322 -0.626 0 N-CA-C 108.632 -0.877 . . . . 0.0 108.632 172.187 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 29' ' ' ARG . . . . . 0.567 ' O ' ' HG2' ' A' ' 32' ' ' GLU . 35.7 mmt180 -81.61 -40.71 22.58 Favored 'General case' 0 C--N 1.332 -0.193 0 CA-C-N 115.689 -0.687 . . . . 0.0 111.468 179.73 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 30' ' ' PHE . . . . . 0.464 ' HB3' ' HA ' ' A' ' 27' ' ' MET . 37.6 t80 -62.99 -54.14 42.93 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-O 121.262 0.553 . . . . 0.0 110.502 177.13 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -70.97 -23.29 62.18 Favored 'General case' 0 N--CA 1.444 -0.769 0 CA-C-N 115.704 -0.68 . . . . 0.0 111.467 -173.865 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 32' ' ' GLU . . . . . 0.567 ' HG2' ' O ' ' A' ' 29' ' ' ARG . 8.6 pt-20 -67.53 -23.05 65.4 Favored 'General case' 0 N--CA 1.466 0.336 0 C-N-CA 119.792 -0.763 . . . . 0.0 110.437 179.422 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 33' ' ' GLN . . . . . . . . . . . . . 54.4 mt-30 -89.19 -30.18 18.74 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 121.144 0.497 . . . . 0.0 109.931 174.392 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -79.77 -26.32 40.68 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 115.706 -0.679 . . . . 0.0 112.032 -177.134 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 105.86 37.82 2.48 Favored Glycine 0 N--CA 1.453 -0.222 0 C-N-CA 121.061 -0.59 . . . . 0.0 112.197 -179.448 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 36' ' ' MET . . . . . . . . . . . . . 56.9 mtm -154.24 176.18 12.59 Favored 'General case' 0 C--N 1.328 -0.352 0 C-N-CA 123.072 0.549 . . . . 0.0 110.234 -177.593 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 37' ' ' GLN . . . . . . . . . . . . . 8.8 tt0 -141.35 143.33 33.95 Favored 'General case' 0 C--N 1.322 -0.605 0 N-CA-C 109.033 -0.729 . . . . 0.0 109.033 169.704 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 8.3 p -77.7 137.56 22.03 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 N-CA-C 110.049 -0.352 . . . . 0.0 110.049 -179.399 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 39' ' ' PHE . . . . . . . . . . . . . 90.6 t80 -131.64 137.17 48.24 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-O 121.175 0.512 . . . . 0.0 111.841 -171.797 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 40' ' ' PHE . . . . . . . . . . . . . 71.3 m-85 -134.74 162.14 33.19 Favored 'General case' 0 C--N 1.323 -0.57 0 N-CA-C 108.212 -1.033 . . . . 0.0 108.212 172.883 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 41' ' ' ASP . . . . . 0.484 ' CG ' ' H ' ' A' ' 42' ' ' GLU . 3.3 p-10 -81.81 -87.39 0.09 Allowed 'General case' 0 C--N 1.324 -0.511 0 C-N-CA 120.261 -0.576 . . . . 0.0 110.385 176.975 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 42' ' ' GLU . . . . . 0.484 ' H ' ' CG ' ' A' ' 41' ' ' ASP . 45.7 mt-10 -131.03 87.86 2.53 Favored 'General case' 0 C--N 1.317 -0.818 0 N-CA-C 108.627 -0.879 . . . . 0.0 108.627 172.688 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 43' ' ' VAL . . . . . . . . . . . . . 62.1 t -121.0 109.39 25.08 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.669 0 CA-C-N 115.79 -0.641 . . . . 0.0 111.046 -177.039 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 39.8 ttmt -102.93 89.68 3.53 Favored 'General case' 0 C--N 1.323 -0.553 0 CA-C-N 115.797 -0.638 . . . . 0.0 109.383 176.006 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 92.9 mt -142.92 137.01 29.15 Favored 'General case' 0 C--N 1.324 -0.54 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.46 -179.298 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 4.6 p-10 -130.78 155.73 46.18 Favored 'General case' 0 C--N 1.32 -0.676 0 CA-C-N 116.166 -0.47 . . . . 0.0 109.752 175.501 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 123.15 -14.1 8.37 Favored Glycine 0 N--CA 1.444 -0.802 0 C-N-CA 120.384 -0.913 . . . . 0.0 112.594 179.465 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 48' ' ' MET . . . . . . . . . . . . . 5.1 mpp? -63.77 139.92 58.82 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 120.988 0.423 . . . . 0.0 110.567 178.332 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 21.0 mt-30 -106.06 120.95 43.1 Favored 'General case' 0 C--N 1.32 -0.692 0 CA-C-N 116.079 -0.51 . . . . 0.0 110.476 -177.204 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -83.54 101.13 11.23 Favored 'General case' 0 C--N 1.324 -0.52 0 N-CA-C 109.491 -0.559 . . . . 0.0 109.491 175.478 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -60.99 155.79 19.22 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 115.68 -0.691 . . . . 0.0 111.096 -177.744 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -55.49 109.34 0.54 Allowed 'General case' 0 C--N 1.331 -0.209 0 CA-C-N 115.75 -0.659 . . . . 0.0 110.914 -178.274 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 53' ' ' LEU . . . . . 0.453 ' HB3' ' HB ' ' A' ' 18' ' ' ILE . 1.1 tm? -108.74 102.0 11.08 Favored 'General case' 0 C--N 1.32 -0.676 0 CA-C-N 115.611 -0.722 . . . . 0.0 109.259 -177.967 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 54' ' ' ASN . . . . . 0.534 ' HA ' ' O ' ' A' ' 16' ' ' PHE . 50.3 t-20 -151.8 99.33 2.57 Favored 'General case' 0 C--N 1.324 -0.53 0 N-CA-C 109.831 -0.433 . . . . 0.0 109.831 178.314 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . 178.16 165.68 33.33 Favored Glycine 0 N--CA 1.448 -0.564 0 C-N-CA 120.547 -0.835 . . . . 0.0 112.56 -179.889 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 56' ' ' SER . . . . . 0.525 ' HA ' ' O ' ' A' ' 14' ' ' LYS . 51.0 m -99.26 105.11 17.1 Favored 'General case' 0 C--N 1.326 -0.44 0 N-CA-C 109.459 -0.571 . . . . 0.0 109.459 175.203 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 57' ' ' MET . . . . . . . . . . . . . 14.6 ptt? -157.24 -178.37 7.3 Favored 'General case' 0 C--N 1.324 -0.519 0 CA-C-N 116.053 -0.521 . . . . 0.0 111.188 -173.986 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 25.4 m -92.81 174.46 7.24 Favored 'General case' 0 C--N 1.325 -0.46 0 CA-C-N 116.031 -0.531 . . . . 0.0 111.447 -176.317 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 59' ' ' VAL . . . . . . . . . . . . . 31.0 t -58.86 -48.86 84.99 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.536 -0.302 . . . . 0.0 111.065 -178.73 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 25.6 mp0 -52.17 -51.85 55.54 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-N 116.066 -0.515 . . . . 0.0 110.528 179.132 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 61' ' ' GLN . . . . . . . . . . . . . 46.7 mt-30 -64.72 -46.65 81.4 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 115.742 -0.663 . . . . 0.0 111.13 -179.101 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . -58.86 -44.82 95.75 Favored Glycine 0 N--CA 1.449 -0.497 0 CA-C-N 115.87 -0.604 . . . . 0.0 112.459 -178.947 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 63' ' ' LEU . . . . . 0.529 ' O ' HG13 ' A' ' 67' ' ' ILE . 4.0 mm? -69.56 -41.95 75.19 Favored 'General case' 0 C--N 1.323 -0.548 0 C-N-CA 121.375 -0.13 . . . . 0.0 110.99 179.118 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 64' ' ' ARG . . . . . . . . . . . . . 72.3 mtp180 -53.79 -32.65 53.3 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-O 120.707 0.289 . . . . 0.0 111.108 176.605 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 65' ' ' ARG . . . . . . . . . . . . . 20.5 ttm180 -81.39 -46.07 15.18 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.484 -0.325 . . . . 0.0 110.9 176.511 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 7.3 mt -59.91 -41.28 91.33 Favored 'General case' 0 N--CA 1.472 0.64 0 CA-C-O 121.332 0.587 . . . . 0.0 111.908 -179.736 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 67' ' ' ILE . . . . . 0.529 HG13 ' O ' ' A' ' 63' ' ' LEU . 8.7 mt -90.25 18.46 0.75 Allowed 'Isoleucine or valine' 0 C--N 1.319 -0.735 0 CA-C-N 115.422 -0.808 . . . . 0.0 110.24 -179.467 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . -33.26 26.31 0.0 OUTLIER Glycine 0 N--CA 1.485 1.96 0 C-N-CA 128.236 2.827 . . . . 0.0 120.145 177.866 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 69' ' ' GLY . . . . . 0.419 ' N ' ' O ' ' A' ' 67' ' ' ILE . . . 116.04 30.03 2.22 Favored Glycine 0 C--N 1.314 -0.654 0 CA-C-N 119.188 1.494 . . . . 0.0 112.318 -173.313 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 70' ' ' ASN . . . . . . . . . . . . . 43.2 m-80 -102.16 118.23 59.55 Favored Pre-proline 0 C--N 1.322 -0.595 0 N-CA-C 107.014 -1.476 . . . . 0.0 107.014 159.328 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 71' ' ' PRO . . . . . . . . . . . . . 19.6 Cg_exo -67.12 94.18 0.35 Allowed 'Trans proline' 0 C--O 1.235 0.361 0 C-N-CA 121.358 1.372 . . . . 0.0 112.182 -175.741 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 72' ' ' VAL . . . . . . . . . . . . . 14.1 p -156.72 146.61 11.47 Favored 'Isoleucine or valine' 0 N--CA 1.449 -0.522 0 CA-C-N 115.709 -0.678 . . . . 0.0 110.145 176.501 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -100.63 132.85 45.81 Favored 'General case' 0 C--N 1.324 -0.541 0 N-CA-C 110.044 -0.354 . . . . 0.0 110.044 177.463 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 74' ' ' PHE . . . . . . . . . . . . . 3.3 p90 -115.18 128.62 56.3 Favored 'General case' 0 C--N 1.332 -0.165 0 CA-C-O 121.336 0.589 . . . . 0.0 111.164 -176.767 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 75' ' ' ARG . . . . . 0.508 ' HG2' ' O ' ' A' ' 83' ' ' VAL . 14.7 ptm180 -118.03 127.81 54.17 Favored 'General case' 0 C--N 1.318 -0.771 0 N-CA-C 109.525 -0.546 . . . . 0.0 109.525 177.59 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 76' ' ' LEU . . . . . . . . . . . . . 76.4 mt -91.33 99.59 12.54 Favored 'General case' 0 C--N 1.319 -0.739 0 CA-C-O 121.221 0.534 . . . . 0.0 110.056 -177.558 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 77' ' ' GLN . . . . . 0.457 ' HA ' ' HD3' ' A' ' 78' ' ' PRO . 0.5 OUTLIER -88.79 131.62 40.97 Favored Pre-proline 0 N--CA 1.441 -0.903 0 CA-C-N 115.536 -0.756 . . . . 0.0 110.012 -176.039 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 78' ' ' PRO . . . . . 0.457 ' HD3' ' HA ' ' A' ' 77' ' ' GLN . 29.9 Cg_exo -63.28 3.18 0.64 Allowed 'Trans proline' 0 N--CA 1.48 0.707 0 C-N-CA 123.681 2.921 . . . . 0.0 114.526 -173.988 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 79' ' ' GLN . . . . . 0.431 ' HB2' HE21 ' A' ' 77' ' ' GLN . 77.5 mt-30 -93.36 23.2 4.64 Favored 'General case' 0 C--N 1.324 -0.534 0 CA-C-O 121.089 0.471 . . . . 0.0 110.452 177.388 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . 71.07 28.99 69.43 Favored Glycine 0 N--CA 1.447 -0.577 0 CA-C-N 115.728 -0.669 . . . . 0.0 112.759 178.474 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 81' ' ' GLN . . . . . . . . . . . . . 97.2 mt-30 -131.57 132.84 44.43 Favored 'General case' 0 C--N 1.324 -0.513 0 CA-C-O 120.947 0.403 . . . . 0.0 111.28 -177.675 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 82' ' ' ILE . . . . . . . . . . . . . 48.2 mt -98.95 100.8 11.16 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.55 0 N-CA-C 108.835 -0.802 . . . . 0.0 108.835 175.08 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 83' ' ' VAL . . . . . 0.508 ' O ' ' HG2' ' A' ' 75' ' ' ARG . 39.6 t -91.39 120.55 40.6 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.669 0 CA-C-N 116.438 -0.346 . . . . 0.0 110.256 -176.777 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 84' ' ' LEU . . . . . . . . . . . . . 6.3 mp -112.65 148.11 35.33 Favored 'General case' 0 C--N 1.322 -0.63 0 CA-C-O 120.857 0.361 . . . . 0.0 110.649 177.619 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 85' ' ' SER . . . . . . . . . . . . . 5.6 p -148.81 135.18 19.43 Favored 'General case' 0 C--N 1.32 -0.708 0 CA-C-N 115.76 -0.655 . . . . 0.0 110.325 179.921 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 86' ' ' ARG . . . . . . . . . . . . . 33.6 ttm180 -81.77 81.06 7.92 Favored 'General case' 0 C--N 1.324 -0.543 0 N-CA-C 108.885 -0.783 . . . . 0.0 108.885 176.239 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 87' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.322 -0.623 0 CA-C-N 114.352 -1.294 . . . . 0.0 110.653 -179.434 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 11.1 pt20 . . . . . 0 N--CA 1.456 -0.151 0 CA-C-O 120.792 0.33 . . . . 0.0 110.257 . . . . . . . . . 0 0 . 1 . 016 nuclear orig core ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 11.2 pt20 -109.85 135.42 50.76 Favored 'General case' 0 C--N 1.321 -0.651 0 CA-C-N 116.437 -0.347 . . . . 0.0 110.211 177.638 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 40.7 mmtm -135.29 144.47 46.79 Favored 'General case' 0 C--N 1.323 -0.581 0 CA-C-N 116.113 -0.494 . . . . 0.0 109.737 176.601 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 15' ' ' ASN . . . . . 0.5 ' HA ' ' HA ' ' A' ' 56' ' ' SER . 6.6 t30 -84.17 99.49 10.55 Favored 'General case' 0 C--N 1.323 -0.557 0 N-CA-C 109.665 -0.495 . . . . 0.0 109.665 178.766 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 16' ' ' PHE . . . . . . . . . . . . . 59.5 m-85 -99.3 143.49 29.5 Favored 'General case' 0 C--N 1.319 -0.718 0 CA-C-N 115.916 -0.583 . . . . 0.0 110.525 -177.44 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 5.1 p-10 -144.17 95.46 2.72 Favored 'General case' 0 C--N 1.318 -0.793 0 CA-C-O 121.684 0.754 . . . . 0.0 109.647 179.527 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 18' ' ' ILE . . . . . 0.416 HG12 HD11 ' A' ' 53' ' ' LEU . 21.0 mm -116.07 119.92 63.31 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.657 0 CA-C-N 115.576 -0.738 . . . . 0.0 109.953 -175.654 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -74.18 154.67 38.97 Favored 'General case' 0 C--N 1.323 -0.551 0 N-CA-C 109.292 -0.632 . . . . 0.0 109.292 173.65 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -66.88 103.15 1.07 Allowed 'General case' 0 C--N 1.328 -0.356 0 CA-C-O 121.33 0.586 . . . . 0.0 110.815 -176.278 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 21' ' ' GLN . . . . . 0.461 HE22 ' HG3' ' A' ' 29' ' ' ARG . 74.6 mt-30 -106.12 172.38 3.99 Favored Pre-proline 0 C--N 1.324 -0.538 0 CA-C-N 114.99 -1.004 . . . . 0.0 110.242 173.714 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 22' ' ' PRO . . . . . . . . . . . . . 52.5 Cg_exo -57.24 140.98 94.45 Favored 'Trans proline' 0 N--CA 1.462 -0.334 0 C-N-CA 121.788 1.659 . . . . 0.0 109.816 163.083 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 23' ' ' LEU . . . . . 0.415 ' CB ' ' HB3' ' A' ' 48' ' ' MET . 32.3 tp -51.71 -45.5 63.59 Favored 'General case' 0 N--CA 1.468 0.473 0 N-CA-C 113.459 0.911 . . . . 0.0 113.459 -167.138 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 78.5 mt-30 -68.82 -44.46 73.46 Favored 'General case' 0 C--N 1.326 -0.419 0 C-N-CA 120.867 -0.333 . . . . 0.0 111.044 -177.274 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 31.8 t -65.48 -35.77 81.89 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-O 121.132 0.491 . . . . 0.0 109.951 177.594 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -55.3 -57.6 11.17 Favored 'General case' 0 CA--C 1.516 -0.331 0 CA-C-N 115.356 -0.838 . . . . 0.0 111.345 178.829 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 27' ' ' MET . . . . . 0.497 ' HE1' ' HB3' ' A' ' 66' ' ' LEU . 16.7 mmt -76.94 -14.33 59.87 Favored 'General case' 0 C--N 1.321 -0.656 0 CA-C-N 115.469 -0.787 . . . . 0.0 111.014 -174.349 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 59.7 tp -65.69 -32.69 74.38 Favored 'General case' 0 C--N 1.322 -0.626 0 N-CA-C 109.106 -0.702 . . . . 0.0 109.106 170.889 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 29' ' ' ARG . . . . . 0.461 ' HG3' HE22 ' A' ' 21' ' ' GLN . 31.1 mmt180 -86.52 -41.83 14.03 Favored 'General case' 0 C--N 1.323 -0.571 0 CA-C-N 116.262 -0.427 . . . . 0.0 110.718 179.883 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 36.3 t80 -71.46 -56.46 5.9 Favored 'General case' 0 C--N 1.325 -0.479 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.576 179.735 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -71.36 -30.73 66.5 Favored 'General case' 0 C--N 1.323 -0.555 0 CA-C-N 116.13 -0.486 . . . . 0.0 112.281 -169.679 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 40.9 mm-40 -62.72 -26.92 68.92 Favored 'General case' 0 N--CA 1.464 0.261 0 C-N-CA 120.393 -0.523 . . . . 0.0 110.897 177.609 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 33' ' ' GLN . . . . . 0.407 ' OE1' ' HA ' ' A' ' 33' ' ' GLN . 16.3 mm-40 -85.59 -16.44 39.32 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-O 120.997 0.427 . . . . 0.0 110.497 177.369 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -95.71 -16.87 21.69 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-N 116.079 -0.51 . . . . 0.0 111.198 178.944 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 99.03 20.7 17.61 Favored Glycine 0 CA--C 1.52 0.384 0 C-N-CA 121.081 -0.58 . . . . 0.0 112.867 178.996 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 36' ' ' MET . . . . . 0.434 ' HG2' ' HA2' ' A' ' 80' ' ' GLY . 68.0 mtm -138.97 176.57 8.58 Favored 'General case' 0 C--N 1.325 -0.465 0 N-CA-C 110.308 -0.256 . . . . 0.0 110.308 -177.276 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 37' ' ' GLN . . . . . . . . . . . . . 32.7 tt0 -154.68 145.75 22.72 Favored 'General case' 0 C--N 1.328 -0.353 0 N-CA-C 109.976 -0.379 . . . . 0.0 109.976 173.594 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 5.9 m -79.75 138.93 19.05 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-O 121.006 0.432 . . . . 0.0 111.592 -179.231 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 39' ' ' PHE . . . . . . . . . . . . . 91.5 t80 -121.37 136.19 54.99 Favored 'General case' 0 C--N 1.324 -0.521 0 CA-C-N 115.814 -0.63 . . . . 0.0 110.787 -179.72 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 40' ' ' PHE . . . . . . . . . . . . . 70.3 m-85 -131.08 154.55 48.15 Favored 'General case' 0 C--N 1.321 -0.635 0 CA-C-N 115.57 -0.741 . . . . 0.0 109.07 176.347 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 17.1 m-20 -78.92 -174.37 3.98 Favored 'General case' 0 C--N 1.325 -0.464 0 CA-C-N 116.659 -0.246 . . . . 0.0 110.542 177.807 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 39.5 mt-10 -76.3 89.42 3.15 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-O 121.05 0.452 . . . . 0.0 110.216 179.184 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 43' ' ' VAL . . . . . . . . . . . . . 7.2 p -159.14 134.84 1.75 Allowed 'Isoleucine or valine' 0 C--N 1.32 -0.701 0 CA-C-N 115.712 -0.676 . . . . 0.0 109.898 178.72 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 40.7 ttmt -98.84 123.17 42.92 Favored 'General case' 0 C--N 1.319 -0.752 0 CA-C-N 116.286 -0.416 . . . . 0.0 110.082 178.079 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 1.3 pt? -133.81 112.92 11.73 Favored 'General case' 0 C--N 1.32 -0.694 0 CA-C-N 116.024 -0.535 . . . . 0.0 110.106 178.609 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 6.2 p-10 -83.55 151.31 25.44 Favored 'General case' 0 C--N 1.323 -0.552 0 CA-C-N 115.942 -0.572 . . . . 0.0 110.228 178.853 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 102.75 6.64 46.21 Favored Glycine 0 N--CA 1.448 -0.529 0 C-N-CA 120.674 -0.774 . . . . 0.0 112.266 -179.588 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 48' ' ' MET . . . . . 0.415 ' HB3' ' CB ' ' A' ' 23' ' ' LEU . 71.1 mtm -67.3 119.44 12.17 Favored 'General case' 0 C--N 1.329 -0.319 0 N-CA-C 109.91 -0.404 . . . . 0.0 109.91 178.029 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 7.5 pt20 -146.63 136.11 22.93 Favored 'General case' 0 C--N 1.323 -0.554 0 CA-C-O 121.109 0.481 . . . . 0.0 111.227 -175.381 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -91.18 145.49 24.63 Favored 'General case' 0 C--N 1.321 -0.636 0 CA-C-N 115.756 -0.657 . . . . 0.0 109.895 176.555 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -84.3 162.78 19.97 Favored 'General case' 0 C--N 1.321 -0.672 0 CA-C-N 116.449 -0.342 . . . . 0.0 110.908 179.908 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -64.8 97.1 0.2 Allowed 'General case' 0 C--O 1.235 0.307 0 CA-C-N 115.785 -0.643 . . . . 0.0 111.339 -179.179 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 53' ' ' LEU . . . . . 0.423 HD13 ' C ' ' A' ' 53' ' ' LEU . 3.4 tm? -103.77 120.18 40.44 Favored 'General case' 0 C--N 1.322 -0.614 0 CA-C-N 115.709 -0.678 . . . . 0.0 109.657 -179.414 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 54' ' ' ASN . . . . . . . . . . . . . 7.3 t30 -159.51 98.85 1.42 Allowed 'General case' 0 C--N 1.326 -0.446 0 CA-C-N 116.357 -0.383 . . . . 0.0 110.136 177.821 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . 178.46 166.66 35.05 Favored Glycine 0 N--CA 1.448 -0.561 0 C-N-CA 120.703 -0.761 . . . . 0.0 112.155 -179.964 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 56' ' ' SER . . . . . 0.5 ' HA ' ' HA ' ' A' ' 15' ' ' ASN . 22.8 t -94.81 107.04 19.05 Favored 'General case' 0 C--N 1.324 -0.513 0 N-CA-C 109.713 -0.477 . . . . 0.0 109.713 176.957 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 57' ' ' MET . . . . . . . . . . . . . 21.3 ptp -157.63 176.75 12.22 Favored 'General case' 0 C--N 1.326 -0.452 0 CA-C-N 115.919 -0.582 . . . . 0.0 110.637 -175.676 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 9.5 m -84.55 176.24 8.75 Favored 'General case' 0 C--N 1.324 -0.523 0 CA-C-N 116.411 -0.359 . . . . 0.0 110.907 -179.792 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 59' ' ' VAL . . . . . . . . . . . . . 47.7 t -58.72 -38.67 73.29 Favored 'Isoleucine or valine' 0 CA--C 1.516 -0.357 0 N-CA-C 110.156 -0.312 . . . . 0.0 110.156 178.607 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 60' ' ' GLU . . . . . 0.621 ' O ' ' HG3' ' A' ' 64' ' ' ARG . 43.2 mt-10 -52.35 -70.64 0.08 Allowed 'General case' 0 C--O 1.223 -0.3 0 O-C-N 123.489 0.493 . . . . 0.0 111.069 -179.959 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 61' ' ' GLN . . . . . . . . . . . . . 84.4 mm-40 -59.66 -40.88 89.2 Favored 'General case' 0 C--N 1.327 -0.398 0 N-CA-C 111.84 0.311 . . . . 0.0 111.84 -175.325 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . -60.86 -50.57 66.11 Favored Glycine 0 N--CA 1.45 -0.4 0 C-N-CA 120.652 -0.785 . . . . 0.0 112.183 -179.847 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 63' ' ' LEU . . . . . 0.418 HD12 HD12 ' A' ' 67' ' ' ILE . 1.8 tm? -67.35 -39.37 85.73 Favored 'General case' 0 C--N 1.324 -0.524 0 CA-C-O 120.931 0.396 . . . . 0.0 110.172 -178.349 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 64' ' ' ARG . . . . . 0.621 ' HG3' ' O ' ' A' ' 60' ' ' GLU . 67.7 mtt180 -60.05 -43.7 95.21 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.004 -0.544 . . . . 0.0 111.194 -178.667 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 65' ' ' ARG . . . . . . . . . . . . . 22.5 mtp180 -75.32 -28.26 59.58 Favored 'General case' 0 C--N 1.324 -0.536 0 CA-C-O 121.185 0.517 . . . . 0.0 110.616 178.076 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 66' ' ' LEU . . . . . 0.497 ' HB3' ' HE1' ' A' ' 27' ' ' MET . 3.5 mt -70.84 -50.86 30.81 Favored 'General case' 0 C--N 1.321 -0.659 0 CA-C-N 115.373 -0.831 . . . . 0.0 112.917 -175.066 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 67' ' ' ILE . . . . . 0.418 HD12 HD12 ' A' ' 63' ' ' LEU . 13.8 mt -83.2 -61.53 1.73 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 N-CA-C 113.523 0.934 . . . . 0.0 113.523 -169.5 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 68' ' ' GLY . . . . . 0.487 ' C ' ' H ' ' A' ' 70' ' ' ASN . . . -111.65 -61.53 0.47 Allowed Glycine 0 N--CA 1.447 -0.574 0 C-N-CA 119.067 -1.54 . . . . 0.0 114.904 -166.752 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . 79.66 -22.36 4.08 Favored Glycine 0 CA--C 1.52 0.385 0 N-CA-C 110.572 -1.011 . . . . 0.0 110.572 -167.182 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 70' ' ' ASN . . . . . 0.487 ' H ' ' C ' ' A' ' 68' ' ' GLY . 17.3 m120 -103.63 151.23 38.71 Favored Pre-proline 0 C--N 1.325 -0.489 0 N-CA-C 108.712 -0.847 . . . . 0.0 108.712 168.736 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 71' ' ' PRO . . . . . . . . . . . . . 18.0 Cg_endo -59.08 103.24 0.17 Allowed 'Trans proline' 0 CA--C 1.535 0.539 0 C-N-CA 123.178 2.586 . . . . 0.0 113.813 -176.211 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 72' ' ' VAL . . . . . . . . . . . . . 12.6 p -150.26 138.88 14.87 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.399 0 CA-C-N 115.211 -0.904 . . . . 0.0 108.936 175.557 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -90.68 143.12 27.06 Favored 'General case' 0 C--N 1.32 -0.693 0 CA-C-O 121.017 0.436 . . . . 0.0 111.874 -167.524 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 74' ' ' PHE . . . . . . . . . . . . . 4.9 p90 -123.85 125.61 44.97 Favored 'General case' 0 C--N 1.322 -0.62 0 CA-C-N 116.103 -0.499 . . . . 0.0 110.173 176.497 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 75' ' ' ARG . . . . . . . . . . . . . 17.2 tpp180 -99.12 113.89 26.34 Favored 'General case' 0 C--N 1.321 -0.647 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.584 -177.868 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 76' ' ' LEU . . . . . . . . . . . . . 72.2 mt -90.79 99.36 12.41 Favored 'General case' 0 C--N 1.325 -0.495 0 CA-C-N 115.966 -0.561 . . . . 0.0 109.5 177.704 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 77' ' ' GLN . . . . . . . . . . . . . 43.7 mt-30 -86.36 130.73 48.46 Favored Pre-proline 0 C--N 1.321 -0.641 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.877 -176.668 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 78' ' ' PRO . . . . . . . . . . . . . 51.5 Cg_exo -56.25 -15.58 15.02 Favored 'Trans proline' 0 N--CA 1.477 0.525 0 C-N-CA 123.792 2.995 . . . . 0.0 113.969 -178.892 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 79' ' ' GLN . . . . . . . . . . . . . 28.4 mt-30 -81.01 -0.98 42.03 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 120.802 0.334 . . . . 0.0 111.021 176.853 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 80' ' ' GLY . . . . . 0.434 ' HA2' ' HG2' ' A' ' 36' ' ' MET . . . 95.46 36.12 5.48 Favored Glycine 0 N--CA 1.447 -0.628 0 C-N-CA 120.739 -0.743 . . . . 0.0 112.765 176.964 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 81' ' ' GLN . . . . . . . . . . . . . 84.8 mm-40 -127.38 137.29 52.73 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-N 116.9 0.35 . . . . 0.0 111.203 -177.598 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 82' ' ' ILE . . . . . . . . . . . . . 56.9 mt -114.39 102.84 14.43 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 N-CA-C 109.282 -0.636 . . . . 0.0 109.282 174.852 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 83' ' ' VAL . . . . . . . . . . . . . 57.4 t -106.72 128.19 61.62 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.685 0 CA-C-N 116.294 -0.412 . . . . 0.0 110.265 -179.138 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 84' ' ' LEU . . . . . . . . . . . . . 17.2 tp -83.99 141.2 31.38 Favored 'General case' 0 C--N 1.325 -0.492 0 N-CA-C 109.734 -0.469 . . . . 0.0 109.734 179.645 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 85' ' ' SER . . . . . . . . . . . . . 24.0 m -136.12 143.3 44.47 Favored 'General case' 0 C--N 1.321 -0.672 0 N-CA-C 109.812 -0.44 . . . . 0.0 109.812 179.955 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 86' ' ' ARG . . . . . . . . . . . . . 33.7 mmt180 -85.4 64.65 8.77 Favored 'General case' 0 C--N 1.322 -0.629 0 CA-C-O 121.029 0.443 . . . . 0.0 111.782 -172.649 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 87' ' ' LEU . . . . . . . . . . . . . 2.8 mm? . . . . . 0 C--N 1.327 -0.408 0 CA-C-N 115.863 -0.608 . . . . 0.0 109.639 174.659 . . . . . . . . 0 0 . 1 . 017 nuclear orig core ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 35.0 tt0 . . . . . 0 N--CA 1.453 -0.301 0 N-CA-C 109.747 -0.464 . . . . 0.0 109.747 . . . . . . . . . 0 0 . 1 . 017 nuclear orig core ' A' A ' 13' ' ' GLN . . . . . 0.503 ' NE2' ' H ' ' A' ' 13' ' ' GLN . 0.0 OUTLIER -64.76 135.77 56.19 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-O 121.106 0.479 . . . . 0.0 110.24 -179.312 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 14' ' ' LYS . . . . . 0.538 ' O ' ' HA ' ' A' ' 56' ' ' SER . 73.9 mmtt -108.36 142.81 38.13 Favored 'General case' 0 C--N 1.319 -0.725 0 CA-C-N 115.769 -0.65 . . . . 0.0 109.884 -175.008 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 15' ' ' ASN . . . . . . . . . . . . . 18.4 m120 -80.65 104.13 10.97 Favored 'General case' 0 C--N 1.322 -0.618 0 CA-C-O 120.963 0.411 . . . . 0.0 110.41 178.975 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 16' ' ' PHE . . . . . 0.412 ' O ' ' HA ' ' A' ' 54' ' ' ASN . 86.1 m-85 -99.3 109.83 22.42 Favored 'General case' 0 C--N 1.319 -0.745 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.38 -179.389 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 82.4 m-20 -118.32 88.62 2.96 Favored 'General case' 0 C--N 1.322 -0.608 0 N-CA-C 109.217 -0.66 . . . . 0.0 109.217 176.006 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 18' ' ' ILE . . . . . . . . . . . . . 14.4 mt -127.0 119.26 52.58 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.578 0 CA-C-O 120.747 0.308 . . . . 0.0 110.782 -175.471 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -77.91 160.28 28.34 Favored 'General case' 0 C--N 1.325 -0.499 0 N-CA-C 109.109 -0.7 . . . . 0.0 109.109 173.799 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -70.21 102.74 2.17 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 121.39 0.614 . . . . 0.0 111.34 -174.186 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 21' ' ' GLN . . . . . . . . . . . . . 78.7 mt-30 -106.09 169.81 6.52 Favored Pre-proline 0 C--N 1.322 -0.619 0 CA-C-N 115.145 -0.934 . . . . 0.0 110.211 175.198 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 22' ' ' PRO . . . . . 0.436 ' HA ' ' O ' ' A' ' 48' ' ' MET . 52.8 Cg_exo -53.47 133.31 52.81 Favored 'Trans proline' 0 C--N 1.348 0.503 0 C-N-CA 121.952 1.768 . . . . 0.0 109.991 166.738 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 56.5 tp -51.3 -45.94 62.35 Favored 'General case' 0 N--CA 1.467 0.413 0 N-CA-C 112.981 0.734 . . . . 0.0 112.981 -167.238 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 11.1 mm100 -64.86 -32.9 74.82 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-O 120.856 0.36 . . . . 0.0 110.995 -176.709 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 18.7 m -86.9 -25.77 24.27 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.712 179.817 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -62.38 -45.72 91.9 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-O 121.405 0.621 . . . . 0.0 110.173 175.762 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 27' ' ' MET . . . . . 0.524 ' HG3' ' CG1' ' A' ' 38' ' ' VAL . 25.6 mmt -74.14 -19.12 60.67 Favored 'General case' 0 C--N 1.322 -0.594 0 CA-C-N 115.458 -0.792 . . . . 0.0 110.464 178.102 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 28' ' ' LEU . . . . . 0.584 ' O ' ' HB3' ' A' ' 32' ' ' GLU . 5.7 tt -65.63 -26.34 67.78 Favored 'General case' 0 C--N 1.321 -0.672 0 N-CA-C 108.718 -0.845 . . . . 0.0 108.718 174.1 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 29' ' ' ARG . . . . . 0.59 ' HA ' ' NH1' ' A' ' 29' ' ' ARG . 9.6 mmm180 -73.53 -55.37 6.41 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.36 -0.382 . . . . 0.0 111.09 179.722 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 7.9 t80 -79.94 -55.86 4.67 Favored 'General case' 0 C--N 1.325 -0.485 0 CA-C-O 121.243 0.544 . . . . 0.0 111.558 -178.231 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -69.21 -16.98 63.73 Favored 'General case' 0 C--N 1.319 -0.739 0 CA-C-N 116.007 -0.542 . . . . 0.0 112.334 -169.963 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 32' ' ' GLU . . . . . 0.584 ' HB3' ' O ' ' A' ' 28' ' ' LEU . 8.5 pt-20 -60.75 -33.13 72.47 Favored 'General case' 0 N--CA 1.471 0.588 0 C-N-CA 120.016 -0.673 . . . . 0.0 110.302 175.842 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 33' ' ' GLN . . . . . . . . . . . . . 85.7 mm-40 -77.84 -27.64 49.95 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-O 121.233 0.539 . . . . 0.0 109.929 -179.778 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -88.72 -7.19 56.74 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-N 115.612 -0.722 . . . . 0.0 111.337 179.346 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 77.39 29.77 55.31 Favored Glycine 0 C--N 1.33 0.23 0 C-N-CA 121.135 -0.555 . . . . 0.0 112.207 -179.663 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 36' ' ' MET . . . . . . . . . . . . . 64.8 mtp -134.61 173.31 11.81 Favored 'General case' 0 C--N 1.323 -0.577 0 CA-C-O 120.649 0.262 . . . . 0.0 110.903 -174.361 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 37' ' ' GLN . . . . . 0.468 ' O ' ' HA ' ' A' ' 81' ' ' GLN . 55.6 tt0 -161.8 160.27 28.05 Favored 'General case' 0 C--N 1.327 -0.401 0 N-CA-C 108.635 -0.876 . . . . 0.0 108.635 171.165 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 38' ' ' VAL . . . . . 0.524 ' CG1' ' HG3' ' A' ' 27' ' ' MET . 0.7 OUTLIER -76.63 134.64 28.42 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.398 0 CA-C-O 121.031 0.443 . . . . 0.0 110.532 -179.851 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 39' ' ' PHE . . . . . . . . . . . . . 77.7 t80 -115.74 119.54 36.39 Favored 'General case' 0 C--N 1.321 -0.65 0 CA-C-N 115.739 -0.664 . . . . 0.0 110.939 -175.88 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 40' ' ' PHE . . . . . . . . . . . . . 80.4 m-85 -129.13 170.37 13.61 Favored 'General case' 0 C--N 1.316 -0.853 0 N-CA-C 108.543 -0.91 . . . . 0.0 108.543 174.508 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 26.3 t70 -76.18 143.66 40.99 Favored 'General case' 0 C--N 1.321 -0.645 0 N-CA-C 109.341 -0.614 . . . . 0.0 109.341 177.923 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 46.5 mt-10 -62.53 95.79 0.07 Allowed 'General case' 0 C--N 1.328 -0.341 0 CA-C-O 121.295 0.569 . . . . 0.0 111.375 -177.201 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 43' ' ' VAL . . . . . . . . . . . . . 9.1 p -130.01 140.76 48.14 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.742 0 CA-C-N 115.194 -0.912 . . . . 0.0 109.589 177.633 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 24.0 ttmm -87.39 88.15 7.6 Favored 'General case' 0 C--N 1.322 -0.623 0 N-CA-C 109.213 -0.662 . . . . 0.0 109.213 177.243 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 69.1 tp -123.41 116.07 22.66 Favored 'General case' 0 C--N 1.319 -0.757 0 CA-C-N 115.384 -0.825 . . . . 0.0 110.033 -177.984 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 16.0 t70 -85.12 144.26 28.32 Favored 'General case' 0 C--N 1.319 -0.748 0 N-CA-C 109.331 -0.618 . . . . 0.0 109.331 177.264 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 114.19 8.1 17.82 Favored Glycine 0 N--CA 1.444 -0.769 0 C-N-CA 120.462 -0.875 . . . . 0.0 112.03 -179.25 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 48' ' ' MET . . . . . 0.436 ' O ' ' HA ' ' A' ' 22' ' ' PRO . 66.7 mtt -70.64 117.74 12.55 Favored 'General case' 0 N--CA 1.451 -0.384 0 N-CA-C 108.804 -0.813 . . . . 0.0 108.804 175.559 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 27.0 pt20 -153.19 140.01 19.06 Favored 'General case' 0 C--N 1.318 -0.774 0 CA-C-O 121.037 0.446 . . . . 0.0 110.993 -174.625 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -91.72 165.22 13.41 Favored 'General case' 0 C--N 1.317 -0.83 0 CA-C-N 115.385 -0.825 . . . . 0.0 109.451 174.77 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -93.49 154.42 17.91 Favored 'General case' 0 C--N 1.318 -0.778 0 CA-C-N 116.383 -0.372 . . . . 0.0 110.072 179.272 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -64.67 97.13 0.2 Allowed 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.55 179.097 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 57.4 tp -97.41 119.02 35.19 Favored 'General case' 0 C--N 1.322 -0.629 0 CA-C-N 115.6 -0.727 . . . . 0.0 110.701 -176.562 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 54' ' ' ASN . . . . . 0.412 ' HA ' ' O ' ' A' ' 16' ' ' PHE . 25.3 t-20 -146.89 98.25 3.02 Favored 'General case' 0 C--N 1.322 -0.621 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.106 177.564 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . 178.18 160.13 24.01 Favored Glycine 0 N--CA 1.448 -0.53 0 C-N-CA 120.714 -0.755 . . . . 0.0 112.255 179.416 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 56' ' ' SER . . . . . 0.538 ' HA ' ' O ' ' A' ' 14' ' ' LYS . 22.6 p -98.47 108.24 20.89 Favored 'General case' 0 C--N 1.323 -0.549 0 N-CA-C 109.934 -0.395 . . . . 0.0 109.934 174.946 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 57' ' ' MET . . . . . . . . . . . . . 20.9 ptp -148.55 -175.71 5.03 Favored 'General case' 0 C--N 1.323 -0.549 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.218 -175.405 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 12.9 m -88.67 177.35 6.78 Favored 'General case' 0 C--N 1.324 -0.538 0 N-CA-C 110.429 -0.212 . . . . 0.0 110.429 179.744 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 59' ' ' VAL . . . . . . . . . . . . . 40.6 t -62.16 -43.26 97.62 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 CA-C-O 120.711 0.291 . . . . 0.0 111.126 -176.755 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 60' ' ' GLU . . . . . 0.577 ' HA ' ' CZ ' ' A' ' 74' ' ' PHE . 26.2 mt-10 -56.88 -60.52 3.45 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 116.074 -0.512 . . . . 0.0 112.008 -179.049 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 61' ' ' GLN . . . . . 0.42 ' HA ' ' OE1' ' A' ' 61' ' ' GLN . 16.6 mm-40 -63.66 -32.52 74.02 Favored 'General case' 0 C--N 1.324 -0.523 0 CA-C-N 116.364 -0.38 . . . . 0.0 110.353 179.222 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 62' ' ' GLY . . . . . 0.546 ' O ' ' HB2' ' A' ' 66' ' ' LEU . . . -59.77 -58.41 14.36 Favored Glycine 0 N--CA 1.445 -0.704 0 CA-C-N 115.83 -0.623 . . . . 0.0 111.882 177.058 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 63' ' ' LEU . . . . . 0.496 ' O ' HG13 ' A' ' 67' ' ' ILE . 4.2 mm? -58.21 -43.96 87.9 Favored 'General case' 0 C--N 1.331 -0.204 0 CA-C-N 116.681 0.24 . . . . 0.0 111.049 179.659 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 64' ' ' ARG . . . . . . . . . . . . . 51.3 mtp180 -52.29 -54.42 31.72 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.354 -0.384 . . . . 0.0 110.968 178.048 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 65' ' ' ARG . . . . . 0.519 ' HA ' ' HA2' ' A' ' 69' ' ' GLY . 97.0 mtt180 -80.03 -17.81 51.8 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.403 -0.362 . . . . 0.0 111.724 -175.966 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 66' ' ' LEU . . . . . 0.546 ' HB2' ' O ' ' A' ' 62' ' ' GLY . 3.1 tt -73.99 -47.43 37.32 Favored 'General case' 0 C--N 1.323 -0.575 0 CA-C-O 121.124 0.488 . . . . 0.0 109.817 178.903 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 67' ' ' ILE . . . . . 0.496 HG13 ' O ' ' A' ' 63' ' ' LEU . 11.1 mt -83.81 -62.36 1.49 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 CA-C-N 116.08 -0.509 . . . . 0.0 111.317 -174.528 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . -113.8 -44.21 0.77 Allowed Glycine 0 CA--C 1.519 0.341 0 C-N-CA 120.621 -0.799 . . . . 0.0 114.13 -174.28 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 69' ' ' GLY . . . . . 0.519 ' HA2' ' HA ' ' A' ' 65' ' ' ARG . . . 103.79 -12.75 53.42 Favored Glycine 0 CA--C 1.513 -0.082 0 N-CA-C 110.452 -1.059 . . . . 0.0 110.452 -168.642 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 70' ' ' ASN . . . . . . . . . . . . . 21.0 p-10 -100.34 167.08 11.49 Favored Pre-proline 0 C--N 1.32 -0.708 0 CA-C-N 114.386 -0.907 . . . . 0.0 110.614 -177.404 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 71' ' ' PRO . . . . . . . . . . . . . 16.3 Cg_exo -69.01 124.89 11.86 Favored 'Trans proline' 0 C--N 1.346 0.408 0 C-N-CA 122.589 2.192 . . . . 0.0 110.802 170.814 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 72' ' ' VAL . . . . . . . . . . . . . 8.8 p -148.3 158.8 7.47 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.602 0 N-CA-C 109.623 -0.51 . . . . 0.0 109.623 -174.816 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 73' ' ' ALA . . . . . 0.502 ' HB1' ' O ' ' A' ' 85' ' ' SER . . . -104.99 119.0 37.94 Favored 'General case' 0 N--CA 1.442 -0.839 0 CA-C-N 116.405 -0.361 . . . . 0.0 110.957 -178.671 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 74' ' ' PHE . . . . . 0.577 ' CZ ' ' HA ' ' A' ' 60' ' ' GLU . 6.1 p90 -125.48 133.69 52.32 Favored 'General case' 0 C--N 1.32 -0.691 0 CA-C-O 120.966 0.412 . . . . 0.0 110.017 -179.343 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 75' ' ' ARG . . . . . . . . . . . . . 24.2 mmt180 -103.24 119.67 39.3 Favored 'General case' 0 C--N 1.317 -0.811 0 CA-C-N 116.075 -0.511 . . . . 0.0 110.434 177.005 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 76' ' ' LEU . . . . . . . . . . . . . 71.5 mt -86.77 98.5 11.2 Favored 'General case' 0 C--N 1.321 -0.657 0 N-CA-C 108.911 -0.774 . . . . 0.0 108.911 176.337 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 77' ' ' GLN . . . . . . . . . . . . . 18.7 mt-30 -87.65 130.16 48.13 Favored Pre-proline 0 C--N 1.32 -0.704 0 CA-C-N 115.948 -0.569 . . . . 0.0 110.903 -175.359 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 78' ' ' PRO . . . . . . . . . . . . . 50.5 Cg_exo -57.31 -17.21 25.46 Favored 'Trans proline' 0 C--N 1.347 0.494 0 C-N-CA 123.365 2.71 . . . . 0.0 112.523 176.161 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 79' ' ' GLN . . . . . . . . . . . . . 43.7 mt-30 -73.17 -3.32 25.85 Favored 'General case' 0 C--O 1.233 0.188 0 CA-C-N 116.097 -0.502 . . . . 0.0 111.178 175.404 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . 90.02 34.89 7.94 Favored Glycine 0 N--CA 1.445 -0.732 0 C-N-CA 120.968 -0.634 . . . . 0.0 112.376 179.224 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 81' ' ' GLN . . . . . 0.468 ' HA ' ' O ' ' A' ' 37' ' ' GLN . 18.0 mt-30 -129.16 133.5 47.63 Favored 'General case' 0 C--N 1.325 -0.463 0 CA-C-O 120.859 0.361 . . . . 0.0 111.529 -177.316 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 82' ' ' ILE . . . . . . . . . . . . . 56.0 mt -107.31 104.25 16.77 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.587 0 N-CA-C 108.563 -0.903 . . . . 0.0 108.563 170.621 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 83' ' ' VAL . . . . . . . . . . . . . 59.7 t -118.61 130.69 73.1 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.556 0 CA-C-O 120.752 0.311 . . . . 0.0 110.825 -176.671 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 84' ' ' LEU . . . . . 0.403 ' CD1' ' HB3' ' A' ' 74' ' ' PHE . 2.6 mm? -85.52 166.71 16.06 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-O 121.646 0.736 . . . . 0.0 111.575 179.716 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 85' ' ' SER . . . . . 0.502 ' O ' ' HB1' ' A' ' 73' ' ' ALA . 20.2 t -161.2 167.78 25.42 Favored 'General case' 0 N--CA 1.445 -0.716 0 CA-C-N 114.521 -1.218 . . . . 0.0 108.447 171.516 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 86' ' ' ARG . . . . . . . . . . . . . 8.0 ptp180 -102.78 78.02 1.64 Allowed 'General case' 0 C--N 1.319 -0.739 0 CA-C-O 121.748 0.785 . . . . 0.0 110.76 -178.927 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 87' ' ' LEU . . . . . 0.434 HD12 ' CB ' ' A' ' 73' ' ' ALA . 10.7 mp . . . . . 0 C--N 1.325 -0.472 0 CA-C-N 115.176 -0.92 . . . . 0.0 110.155 178.504 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 11.7 pt20 . . . . . 0 N--CA 1.448 -0.55 0 N-CA-C 110.114 -0.328 . . . . 0.0 110.114 . . . . . . . . . 0 0 . 1 . 018 nuclear orig core ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 10.7 pt20 -135.0 157.29 47.32 Favored 'General case' 0 C--N 1.319 -0.726 0 CA-C-N 116.126 -0.488 . . . . 0.0 109.856 175.903 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 14' ' ' LYS . . . . . 0.507 ' HB2' ' CE2' ' A' ' 16' ' ' PHE . 28.3 mmmt -122.84 146.07 47.88 Favored 'General case' 0 C--N 1.321 -0.659 0 N-CA-C 109.849 -0.426 . . . . 0.0 109.849 -178.929 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 15' ' ' ASN . . . . . . . . . . . . . 10.3 t30 -93.0 101.92 14.26 Favored 'General case' 0 C--N 1.322 -0.62 0 CA-C-O 120.954 0.407 . . . . 0.0 110.095 179.04 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 16' ' ' PHE . . . . . 0.507 ' CE2' ' HB2' ' A' ' 14' ' ' LYS . 91.4 m-85 -100.49 134.92 42.73 Favored 'General case' 0 C--N 1.322 -0.623 0 CA-C-N 115.838 -0.619 . . . . 0.0 110.556 -178.604 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 3.4 p30 -132.62 89.35 2.63 Favored 'General case' 0 C--N 1.32 -0.714 0 CA-C-O 121.599 0.714 . . . . 0.0 109.19 173.127 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 18' ' ' ILE . . . . . . . . . . . . . 21.4 mm -115.21 115.75 50.39 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.522 0 CA-C-N 115.551 -0.749 . . . . 0.0 110.705 -173.181 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -72.68 153.98 40.94 Favored 'General case' 0 C--N 1.324 -0.513 0 N-CA-C 108.789 -0.819 . . . . 0.0 108.789 171.577 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -68.7 101.63 1.35 Allowed 'General case' 0 N--CA 1.454 -0.274 0 CA-C-O 121.637 0.732 . . . . 0.0 110.679 -175.341 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 21' ' ' GLN . . . . . . . . . . . . . 35.9 mt-30 -107.14 170.72 5.34 Favored Pre-proline 0 C--N 1.319 -0.73 0 CA-C-N 114.647 -1.16 . . . . 0.0 109.599 174.996 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 22' ' ' PRO . . . . . . . . . . . . . 54.5 Cg_exo -54.04 130.35 39.0 Favored 'Trans proline' 0 N--CA 1.461 -0.432 0 C-N-CA 121.657 1.571 . . . . 0.0 109.861 165.012 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -51.26 -44.57 61.81 Favored 'General case' 0 C--N 1.327 -0.375 0 N-CA-C 112.541 0.571 . . . . 0.0 112.541 -166.561 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 67.7 mt-30 -52.38 -55.73 19.7 Favored 'General case' 0 N--CA 1.465 0.321 0 O-C-N 123.235 0.334 . . . . 0.0 111.9 176.895 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 25' ' ' SER . . . . . 0.658 ' O ' ' HG2' ' A' ' 29' ' ' ARG . 19.1 p -69.74 -25.3 63.77 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.717 -0.22 . . . . 0.0 111.525 -178.616 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -56.73 -56.48 20.96 Favored 'General case' 0 C--O 1.234 0.243 0 CA-C-O 121.296 0.569 . . . . 0.0 111.173 -178.688 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 27' ' ' MET . . . . . 0.416 ' HA ' ' CD2' ' A' ' 30' ' ' PHE . 43.6 mtt -74.39 -29.17 61.42 Favored 'General case' 0 C--N 1.321 -0.648 0 CA-C-N 115.868 -0.606 . . . . 0.0 109.947 179.982 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 28' ' ' LEU . . . . . 0.404 ' O ' ' HB3' ' A' ' 32' ' ' GLU . 50.9 tp -58.31 -25.45 61.9 Favored 'General case' 0 C--O 1.213 -0.843 0 CA-C-N 116.387 -0.37 . . . . 0.0 110.277 176.843 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 29' ' ' ARG . . . . . 0.658 ' HG2' ' O ' ' A' ' 25' ' ' SER . 1.5 mmp_? -74.21 -60.76 2.12 Favored 'General case' 0 C--N 1.327 -0.394 0 O-C-N 122.259 -0.276 . . . . 0.0 111.575 178.667 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 30' ' ' PHE . . . . . 0.416 ' CD2' ' HA ' ' A' ' 27' ' ' MET . 5.2 p90 -80.85 -40.11 25.37 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-O 121.168 0.509 . . . . 0.0 111.469 -173.453 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 31' ' ' ALA . . . . . 0.406 ' HB1' ' HB2' ' A' ' 36' ' ' MET . . . -74.53 -33.5 62.77 Favored 'General case' 0 C--N 1.323 -0.561 0 CA-C-N 115.852 -0.613 . . . . 0.0 111.761 -172.636 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 32' ' ' GLU . . . . . 0.404 ' HB3' ' O ' ' A' ' 28' ' ' LEU . 8.0 pt-20 -61.79 -33.05 73.42 Favored 'General case' 0 N--CA 1.466 0.373 0 C-N-CA 120.085 -0.646 . . . . 0.0 110.351 -178.948 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 33' ' ' GLN . . . . . . . . . . . . . 76.7 mt-30 -76.67 -19.66 57.51 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 115.867 -0.606 . . . . 0.0 110.579 -179.47 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -95.14 -8.02 37.59 Favored 'General case' 0 C--N 1.326 -0.449 0 CA-C-N 116.053 -0.521 . . . . 0.0 111.15 177.574 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 88.96 34.95 8.5 Favored Glycine 0 N--CA 1.451 -0.302 0 C-N-CA 120.959 -0.639 . . . . 0.0 112.294 -179.642 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 36' ' ' MET . . . . . 0.406 ' HB2' ' HB1' ' A' ' 31' ' ' ALA . 89.6 mtp -135.27 157.39 47.04 Favored 'General case' 0 C--N 1.327 -0.37 0 N-CA-C 110.173 -0.306 . . . . 0.0 110.173 -179.246 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 37' ' ' GLN . . . . . 0.42 ' O ' ' HA ' ' A' ' 81' ' ' GLN . 10.2 tt0 -151.66 159.05 44.17 Favored 'General case' 0 C--N 1.325 -0.47 0 N-CA-C 109.994 -0.373 . . . . 0.0 109.994 -179.637 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 21.4 t -77.67 133.27 30.92 Favored 'Isoleucine or valine' 0 C--O 1.235 0.307 0 CA-C-N 116.577 -0.283 . . . . 0.0 110.412 -177.773 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 39' ' ' PHE . . . . . 0.454 ' HB2' ' HB2' ' A' ' 81' ' ' GLN . 86.4 t80 -101.49 123.19 45.13 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.293 -0.412 . . . . 0.0 110.78 -178.154 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 40' ' ' PHE . . . . . . . . . . . . . 20.6 p90 -167.69 140.92 3.35 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-N 115.929 -0.578 . . . . 0.0 110.098 178.86 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 9.1 p-10 -79.45 -177.68 5.9 Favored 'General case' 0 C--N 1.326 -0.456 0 N-CA-C 109.542 -0.54 . . . . 0.0 109.542 176.274 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 42.2 mt-10 -67.35 89.48 0.21 Allowed 'General case' 0 C--O 1.235 0.34 0 CA-C-O 121.406 0.622 . . . . 0.0 111.395 -176.005 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 43' ' ' VAL . . . . . . . . . . . . . 28.0 m -131.73 -177.99 2.41 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.586 0 CA-C-N 115.478 -0.783 . . . . 0.0 110.421 -179.275 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 38.6 ttpt -139.0 121.06 15.67 Favored 'General case' 0 C--N 1.32 -0.688 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.032 177.041 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 59.3 tp -106.6 98.98 8.58 Favored 'General case' 0 C--N 1.32 -0.704 0 N-CA-C 109.519 -0.549 . . . . 0.0 109.519 175.587 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 28.5 t70 -68.23 127.07 31.6 Favored 'General case' 0 C--N 1.324 -0.528 0 CA-C-N 116.319 -0.4 . . . . 0.0 110.174 179.669 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 89.36 17.23 55.82 Favored Glycine 0 N--CA 1.444 -0.811 0 C-N-CA 120.718 -0.753 . . . . 0.0 111.797 -177.745 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 48' ' ' MET . . . . . . . . . . . . . 23.1 ptt? -57.66 118.37 5.19 Favored 'General case' 0 C--O 1.234 0.243 0 CA-C-O 121.169 0.509 . . . . 0.0 110.475 178.613 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 10.1 tt0 -164.38 143.45 7.35 Favored 'General case' 0 C--N 1.322 -0.59 0 CA-C-N 116.048 -0.524 . . . . 0.0 110.174 -177.596 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -83.41 148.0 27.54 Favored 'General case' 0 C--N 1.32 -0.712 0 CA-C-N 115.929 -0.578 . . . . 0.0 110.154 178.034 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -76.34 170.93 15.42 Favored 'General case' 0 C--N 1.322 -0.593 0 CA-C-N 116.1 -0.5 . . . . 0.0 109.916 176.967 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -69.27 89.33 0.47 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 121.174 0.511 . . . . 0.0 110.227 179.546 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -99.31 99.48 10.43 Favored 'General case' 0 N--CA 1.446 -0.668 0 CA-C-N 115.759 -0.655 . . . . 0.0 109.86 -174.718 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 54' ' ' ASN . . . . . . . . . . . . . 4.2 p30 -144.58 99.76 3.41 Favored 'General case' 0 C--N 1.321 -0.65 0 CA-C-N 116.024 -0.535 . . . . 0.0 110.337 179.107 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . 177.92 169.63 39.11 Favored Glycine 0 N--CA 1.449 -0.482 0 C-N-CA 120.553 -0.832 . . . . 0.0 112.548 179.604 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 23.1 t -105.38 106.28 16.7 Favored 'General case' 0 C--N 1.322 -0.591 0 N-CA-C 109.142 -0.688 . . . . 0.0 109.142 175.381 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 57' ' ' MET . . . . . . . . . . . . . 10.5 ptt? -156.24 168.5 27.12 Favored 'General case' 0 C--N 1.324 -0.537 0 CA-C-N 116.085 -0.507 . . . . 0.0 110.516 -173.44 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 32.2 m -75.63 163.73 27.03 Favored 'General case' 0 C--N 1.324 -0.533 0 CA-C-N 116.467 -0.333 . . . . 0.0 111.109 -176.577 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 59' ' ' VAL . . . . . . . . . . . . . 29.4 t -53.5 -42.19 48.45 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.396 0 CA-C-O 120.553 0.216 . . . . 0.0 111.394 -176.615 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 60' ' ' GLU . . . . . 0.53 ' HA ' ' CZ ' ' A' ' 74' ' ' PHE . 44.1 mt-10 -55.07 -51.25 66.95 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-N 116.277 -0.42 . . . . 0.0 111.563 178.026 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 61' ' ' GLN . . . . . . . . . . . . . 30.4 mm-40 -68.97 -38.85 79.61 Favored 'General case' 0 C--N 1.325 -0.487 0 CA-C-O 120.788 0.328 . . . . 0.0 110.797 -179.852 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 62' ' ' GLY . . . . . 0.457 ' O ' ' HB2' ' A' ' 66' ' ' LEU . . . -62.74 -56.8 19.11 Favored Glycine 0 N--CA 1.446 -0.687 0 C-N-CA 121.045 -0.598 . . . . 0.0 112.509 -178.957 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 63' ' ' LEU . . . . . 0.447 ' O ' HG13 ' A' ' 67' ' ' ILE . 3.8 mm? -64.97 -46.25 82.28 Favored 'General case' 0 C--N 1.327 -0.401 0 N-CA-C 112.022 0.378 . . . . 0.0 112.022 -175.456 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 64' ' ' ARG . . . . . . . . . . . . . 74.3 mtt180 -59.3 -37.76 78.51 Favored 'General case' 0 N--CA 1.466 0.33 0 CA-C-O 120.755 0.312 . . . . 0.0 111.365 -177.705 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 65' ' ' ARG . . . . . . . . . . . . . 67.8 ttt180 -78.53 -39.4 38.01 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-O 120.79 0.328 . . . . 0.0 110.57 177.742 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 66' ' ' LEU . . . . . 0.457 ' HB2' ' O ' ' A' ' 62' ' ' GLY . 4.5 tt -59.85 -42.54 93.85 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 115.818 -0.628 . . . . 0.0 110.365 -179.95 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 67' ' ' ILE . . . . . 0.447 HG13 ' O ' ' A' ' 63' ' ' LEU . 71.8 mt -73.81 -62.11 1.44 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.417 0 CA-C-N 115.573 -0.74 . . . . 0.0 111.059 -179.131 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . -113.43 -59.64 0.41 Allowed Glycine 0 N--CA 1.446 -0.686 0 C-N-CA 120.605 -0.807 . . . . 0.0 113.653 -175.556 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . 101.89 -19.86 47.99 Favored Glycine 0 N--CA 1.451 -0.343 0 N-CA-C 110.076 -1.21 . . . . 0.0 110.076 -168.833 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 70' ' ' ASN . . . . . . . . . . . . . 16.0 m120 -98.62 161.98 23.28 Favored Pre-proline 0 C--N 1.323 -0.559 0 CA-C-N 114.525 -0.838 . . . . 0.0 108.814 175.689 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 71' ' ' PRO . . . . . . . . . . . . . 18.7 Cg_endo -60.18 98.81 0.13 Allowed 'Trans proline' 0 C--N 1.347 0.456 0 C-N-CA 122.125 1.883 . . . . 0.0 112.124 177.144 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 72' ' ' VAL . . . . . . . . . . . . . 9.6 p -143.01 159.57 17.93 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.683 0 N-CA-C 108.55 -0.907 . . . . 0.0 108.55 -179.706 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -115.64 133.6 55.87 Favored 'General case' 0 N--CA 1.445 -0.713 0 C-N-CA 120.567 -0.453 . . . . 0.0 111.56 -170.841 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 74' ' ' PHE . . . . . 0.649 ' CE1' ' HG ' ' A' ' 76' ' ' LEU . 3.2 p90 -105.99 159.61 15.92 Favored 'General case' 0 C--N 1.315 -0.895 0 N-CA-C 108.65 -0.87 . . . . 0.0 108.65 171.895 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 75' ' ' ARG . . . . . . . . . . . . . 58.7 mtm180 -123.56 104.61 9.15 Favored 'General case' 0 C--N 1.317 -0.827 0 CA-C-O 121.131 0.491 . . . . 0.0 110.366 175.131 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 76' ' ' LEU . . . . . 0.649 ' HG ' ' CE1' ' A' ' 74' ' ' PHE . 50.0 mt -92.27 122.8 35.09 Favored 'General case' 0 C--N 1.324 -0.514 0 CA-C-N 115.661 -0.7 . . . . 0.0 110.015 177.639 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 77' ' ' GLN . . . . . . . . . . . . . 23.3 mt-30 -114.12 142.6 28.22 Favored Pre-proline 0 C--N 1.316 -0.868 0 CA-C-N 116.039 -0.528 . . . . 0.0 109.8 179.715 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 78' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_exo -54.59 -10.42 2.38 Favored 'Trans proline' 0 C--N 1.352 0.712 0 C-N-CA 123.958 3.106 . . . . 0.0 114.107 -176.571 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 79' ' ' GLN . . . . . . . . . . . . . 76.3 mt-30 -67.11 -19.83 65.69 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 121.038 0.447 . . . . 0.0 110.36 174.981 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . 95.75 42.0 3.71 Favored Glycine 0 N--CA 1.449 -0.441 0 C-N-CA 120.931 -0.652 . . . . 0.0 112.301 178.375 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 81' ' ' GLN . . . . . 0.454 ' HB2' ' HB2' ' A' ' 39' ' ' PHE . 13.3 pt20 -131.43 150.79 52.01 Favored 'General case' 0 C--N 1.326 -0.454 0 CA-C-O 120.894 0.378 . . . . 0.0 110.995 -177.97 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 82' ' ' ILE . . . . . . . . . . . . . 25.6 mt -119.21 123.54 71.52 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.42 0 CA-C-N 115.643 -0.708 . . . . 0.0 110.145 -179.537 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 83' ' ' VAL . . . . . . . . . . . . . 7.1 p -139.08 139.03 40.85 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.537 0 CA-C-O 120.801 0.334 . . . . 0.0 110.714 178.129 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 84' ' ' LEU . . . . . 0.432 HD11 HG21 ' A' ' 67' ' ' ILE . 50.3 tp -88.62 151.39 22.5 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-N 116.176 -0.466 . . . . 0.0 111.108 -178.923 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 85' ' ' SER . . . . . . . . . . . . . 40.2 m -137.49 137.62 38.87 Favored 'General case' 0 N--CA 1.445 -0.707 0 N-CA-C 109.699 -0.482 . . . . 0.0 109.699 177.283 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 86' ' ' ARG . . . . . . . . . . . . . 23.5 tpp180 -76.61 81.0 3.27 Favored 'General case' 0 C--N 1.326 -0.45 0 CA-C-O 121.457 0.646 . . . . 0.0 110.091 -179.718 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 87' ' ' LEU . . . . . . . . . . . . . 15.9 mt . . . . . 0 C--N 1.322 -0.611 0 CA-C-N 115.243 -0.89 . . . . 0.0 109.425 -178.937 . . . . . . . . 0 0 . 1 . 019 nuclear orig core ' A' A ' 12' ' ' GLN . . . . . 0.568 ' O ' ' HA ' ' A' ' 58' ' ' SER . 11.4 pt20 . . . . . 0 CA--C 1.528 0.104 0 CA-C-O 121.148 0.499 . . . . 0.0 111.627 . . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 9.7 tt0 -84.8 114.18 21.89 Favored 'General case' 0 C--N 1.324 -0.509 0 CA-C-N 115.976 -0.557 . . . . 0.0 110.592 -179.777 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 14' ' ' LYS . . . . . 0.508 ' HB2' ' CE2' ' A' ' 16' ' ' PHE . 14.7 mmmm -123.28 161.43 24.62 Favored 'General case' 0 C--N 1.324 -0.521 0 N-CA-C 109.778 -0.452 . . . . 0.0 109.778 179.285 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 15' ' ' ASN . . . . . . . . . . . . . 3.9 t-20 -96.25 123.94 40.07 Favored 'General case' 0 C--N 1.321 -0.648 0 N-CA-C 109.897 -0.408 . . . . 0.0 109.897 178.343 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 16' ' ' PHE . . . . . 0.508 ' CE2' ' HB2' ' A' ' 14' ' ' LYS . 85.4 m-85 -128.45 143.81 51.04 Favored 'General case' 0 C--N 1.324 -0.501 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.638 -179.309 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 17' ' ' ASN . . . . . 0.459 ' HA ' ' O ' ' A' ' 53' ' ' LEU . 2.8 t-20 -144.12 92.18 2.29 Favored 'General case' 0 C--N 1.323 -0.546 0 CA-C-O 121.329 0.585 . . . . 0.0 109.804 176.034 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 18' ' ' ILE . . . . . . . . . . . . . 12.3 mm -112.04 129.68 67.08 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.713 0 CA-C-N 115.517 -0.765 . . . . 0.0 109.717 -176.843 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -76.11 159.9 30.28 Favored 'General case' 0 C--N 1.324 -0.528 0 N-CA-C 109.221 -0.659 . . . . 0.0 109.221 174.686 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -69.76 101.95 1.81 Allowed 'General case' 0 N--CA 1.453 -0.304 0 CA-C-O 121.483 0.659 . . . . 0.0 110.258 -178.092 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 21' ' ' GLN . . . . . . . . . . . . . 65.8 mt-30 -106.92 172.18 4.07 Favored Pre-proline 0 C--N 1.32 -0.683 0 CA-C-N 114.903 -1.044 . . . . 0.0 110.048 178.05 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 22' ' ' PRO . . . . . . . . . . . . . 50.5 Cg_exo -56.28 128.78 31.55 Favored 'Trans proline' 0 C--N 1.345 0.382 0 C-N-CA 121.599 1.532 . . . . 0.0 109.385 163.572 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 42.2 tp -49.82 -44.27 49.24 Favored 'General case' 0 N--CA 1.468 0.435 0 N-CA-C 113.251 0.834 . . . . 0.0 113.251 -166.911 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 27.5 mt-30 -65.55 -33.77 76.68 Favored 'General case' 0 C--N 1.325 -0.462 0 C-N-CA 121.076 -0.25 . . . . 0.0 111.669 -177.242 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 48.8 m -85.88 -25.68 26.05 Favored 'General case' 0 C--N 1.324 -0.539 0 CA-C-O 120.99 0.424 . . . . 0.0 110.338 177.776 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -59.12 -54.9 41.74 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 115.698 -0.683 . . . . 0.0 110.788 177.946 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 27' ' ' MET . . . . . 0.664 ' HB2' ' CG1' ' A' ' 38' ' ' VAL . 52.0 mtt -69.68 -24.74 63.64 Favored 'General case' 0 C--O 1.213 -0.861 0 CA-C-N 116.017 -0.538 . . . . 0.0 110.292 178.937 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 28' ' ' LEU . . . . . 0.671 ' O ' ' HG3' ' A' ' 32' ' ' GLU . 8.9 tt -60.96 -47.67 85.39 Favored 'General case' 0 C--N 1.321 -0.633 0 N-CA-C 108.656 -0.868 . . . . 0.0 108.656 175.803 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 29' ' ' ARG . . . . . 0.518 ' HD3' ' OE1' ' A' ' 32' ' ' GLU . 28.2 mmt180 -71.25 -43.6 66.94 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.213 -0.448 . . . . 0.0 111.395 179.792 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 6.0 t80 -63.28 -53.68 49.04 Favored 'General case' 0 C--N 1.325 -0.489 0 CA-C-O 121.276 0.56 . . . . 0.0 111.038 178.161 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -72.41 -15.6 61.84 Favored 'General case' 0 C--N 1.321 -0.637 0 CA-C-N 115.712 -0.676 . . . . 0.0 111.057 -175.358 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 32' ' ' GLU . . . . . 0.671 ' HG3' ' O ' ' A' ' 28' ' ' LEU . 18.3 mt-10 -52.04 -37.45 53.61 Favored 'General case' 0 N--CA 1.468 0.452 0 C-N-CA 120.502 -0.479 . . . . 0.0 109.869 168.944 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 33' ' ' GLN . . . . . . . . . . . . . 16.3 mm100 -90.81 -13.48 33.76 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 115.876 -0.602 . . . . 0.0 111.432 -179.345 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -100.46 -13.78 18.55 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-O 120.884 0.373 . . . . 0.0 111.768 -178.843 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 89.06 35.07 8.35 Favored Glycine 0 CA--C 1.519 0.316 0 C-N-CA 121.314 -0.47 . . . . 0.0 112.849 178.213 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 36' ' ' MET . . . . . . . . . . . . . 65.0 mtm -145.93 175.91 10.09 Favored 'General case' 0 N--CA 1.465 0.286 0 CA-C-N 116.805 0.303 . . . . 0.0 111.242 -176.841 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 37' ' ' GLN . . . . . . . . . . . . . 25.1 mt-30 -149.71 162.77 39.58 Favored 'General case' 0 C--N 1.332 -0.193 0 C-N-CA 123.517 0.727 . . . . 0.0 109.592 175.822 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 38' ' ' VAL . . . . . 0.664 ' CG1' ' HB2' ' A' ' 27' ' ' MET . 33.7 m -76.38 143.61 12.84 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-O 121.06 0.457 . . . . 0.0 111.354 -175.747 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 39' ' ' PHE . . . . . . . . . . . . . 45.9 t80 -144.97 119.74 9.87 Favored 'General case' 0 C--N 1.322 -0.602 0 CA-C-N 115.828 -0.623 . . . . 0.0 109.94 176.889 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 40' ' ' PHE . . . . . . . . . . . . . 92.4 m-85 -134.79 170.02 16.48 Favored 'General case' 0 C--N 1.317 -0.84 0 N-CA-C 109.07 -0.715 . . . . 0.0 109.07 176.234 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 7.7 p-10 -65.99 151.42 46.83 Favored 'General case' 0 C--N 1.322 -0.619 0 N-CA-C 109.482 -0.562 . . . . 0.0 109.482 177.296 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 53.5 mt-10 -69.99 92.15 0.71 Allowed 'General case' 0 C--N 1.324 -0.501 0 CA-C-O 121.125 0.488 . . . . 0.0 111.228 -174.922 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 43' ' ' VAL . . . . . . . . . . . . . 11.7 p -149.52 136.42 13.0 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.61 0 CA-C-N 115.588 -0.733 . . . . 0.0 109.41 176.026 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 37.0 ttpt -83.96 90.84 7.48 Favored 'General case' 0 C--N 1.323 -0.586 0 CA-C-O 120.795 0.331 . . . . 0.0 110.35 -179.465 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 45.7 tp -123.17 111.36 16.41 Favored 'General case' 0 C--N 1.321 -0.658 0 CA-C-O 120.913 0.387 . . . . 0.0 110.076 177.612 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 25.6 t70 -106.74 161.56 14.56 Favored 'General case' 0 C--N 1.322 -0.627 0 CA-C-N 116.017 -0.538 . . . . 0.0 110.151 -178.655 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 111.41 21.6 6.47 Favored Glycine 0 N--CA 1.449 -0.433 0 C-N-CA 120.732 -0.746 . . . . 0.0 111.819 -178.575 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 48' ' ' MET . . . . . . . . . . . . . 64.3 mtt -99.44 119.29 37.76 Favored 'General case' 0 C--N 1.322 -0.591 0 CA-C-O 120.844 0.354 . . . . 0.0 110.218 -179.304 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 49' ' ' GLN . . . . . 0.496 ' HA ' HE21 ' A' ' 49' ' ' GLN . 0.0 OUTLIER -124.35 136.77 54.34 Favored 'General case' 0 C--N 1.32 -0.678 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.384 -178.871 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -83.55 163.26 20.53 Favored 'General case' 0 C--N 1.324 -0.532 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.212 177.604 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -97.98 167.95 10.59 Favored 'General case' 0 C--N 1.322 -0.622 0 CA-C-N 116.425 -0.352 . . . . 0.0 110.587 178.808 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -61.16 108.81 0.96 Allowed 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.051 -0.522 . . . . 0.0 110.753 178.429 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 53' ' ' LEU . . . . . 0.459 ' O ' ' HA ' ' A' ' 17' ' ' ASN . 1.4 tm? -104.61 110.8 23.25 Favored 'General case' 0 C--N 1.321 -0.643 0 CA-C-N 115.606 -0.725 . . . . 0.0 110.061 -175.368 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 54' ' ' ASN . . . . . . . . . . . . . 10.8 p30 -155.83 106.9 2.5 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-O 121.258 0.551 . . . . 0.0 111.126 174.888 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . 177.82 174.21 43.95 Favored Glycine 0 N--CA 1.449 -0.467 0 C-N-CA 120.161 -1.019 . . . . 0.0 112.936 177.504 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 38.2 p -105.36 109.37 21.32 Favored 'General case' 0 C--N 1.323 -0.563 0 N-CA-C 109.16 -0.682 . . . . 0.0 109.16 172.453 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 57' ' ' MET . . . . . . . . . . . . . 14.8 ptt? -159.52 174.13 15.11 Favored 'General case' 0 C--N 1.32 -0.693 0 CA-C-N 116.445 -0.343 . . . . 0.0 110.732 -173.139 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 58' ' ' SER . . . . . 0.568 ' HA ' ' O ' ' A' ' 12' ' ' GLN . 5.1 m -86.07 169.48 13.11 Favored 'General case' 0 C--N 1.318 -0.769 0 CA-C-N 116.082 -0.508 . . . . 0.0 110.566 -178.189 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 59' ' ' VAL . . . . . 0.528 ' O ' HD23 ' A' ' 63' ' ' LEU . 38.5 t -58.64 -44.01 88.7 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.346 0 CA-C-O 120.948 0.404 . . . . 0.0 110.356 -179.288 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 60' ' ' GLU . . . . . 0.531 ' O ' ' HG3' ' A' ' 64' ' ' ARG . 42.6 mp0 -55.79 -53.83 51.89 Favored 'General case' 0 C--N 1.325 -0.487 0 CA-C-N 115.664 -0.698 . . . . 0.0 110.521 178.997 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 61' ' ' GLN . . . . . . . . . . . . . 95.4 mt-30 -66.17 -36.9 84.3 Favored 'General case' 0 C--N 1.323 -0.57 0 CA-C-N 115.588 -0.733 . . . . 0.0 110.843 -178.365 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . -62.21 -52.35 50.26 Favored Glycine 0 N--CA 1.445 -0.765 0 CA-C-N 115.693 -0.685 . . . . 0.0 112.342 179.962 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 63' ' ' LEU . . . . . 0.528 HD23 ' O ' ' A' ' 59' ' ' VAL . 4.3 mm? -58.09 -45.26 87.5 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-O 120.52 0.2 . . . . 0.0 111.501 -178.537 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 64' ' ' ARG . . . . . 0.531 ' HG3' ' O ' ' A' ' 60' ' ' GLU . 92.4 mtt180 -53.03 -53.77 45.24 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.408 -0.36 . . . . 0.0 110.688 -179.743 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 65' ' ' ARG . . . . . . . . . . . . . 63.2 ttt180 -71.33 -36.13 71.44 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 115.886 -0.597 . . . . 0.0 111.361 -178.571 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 6.9 tt -62.96 -46.27 88.5 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 115.952 -0.567 . . . . 0.0 111.169 -175.737 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 67' ' ' ILE . . . . . 0.41 HG13 ' O ' ' A' ' 63' ' ' LEU . 19.8 mt -82.62 -65.96 0.79 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 C-N-CA 120.559 -0.456 . . . . 0.0 111.67 -173.37 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . -117.0 -49.44 0.42 Allowed Glycine 0 N--CA 1.45 -0.382 0 C-N-CA 120.768 -0.729 . . . . 0.0 113.474 -176.93 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . 104.79 -8.61 46.76 Favored Glycine 0 N--CA 1.449 -0.453 0 N-CA-C 110.368 -1.093 . . . . 0.0 110.368 -166.096 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 70' ' ' ASN . . . . . 0.474 ' OD1' ' HD2' ' A' ' 71' ' ' PRO . 55.9 t30 -100.5 136.36 19.97 Favored Pre-proline 0 C--N 1.328 -0.356 0 CA-C-N 114.866 -0.667 . . . . 0.0 109.764 -179.653 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 71' ' ' PRO . . . . . 0.474 ' HD2' ' OD1' ' A' ' 70' ' ' ASN . 52.1 Cg_exo -54.72 117.46 4.01 Favored 'Trans proline' 0 C--N 1.346 0.407 0 C-N-CA 122.514 2.143 . . . . 0.0 112.27 174.912 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 72' ' ' VAL . . . . . . . . . . . . . 2.9 p -150.17 162.16 3.98 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 N-CA-C 108.418 -0.956 . . . . 0.0 108.418 -176.061 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -103.27 123.3 46.5 Favored 'General case' 0 C--N 1.321 -0.632 0 CA-C-O 121.187 0.517 . . . . 0.0 111.072 -169.463 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 74' ' ' PHE . . . . . . . . . . . . . 23.8 p90 -133.69 119.34 19.22 Favored 'General case' 0 C--N 1.312 -1.028 0 CA-C-N 115.512 -0.767 . . . . 0.0 109.134 -179.49 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 75' ' ' ARG . . . . . . . . . . . . . 12.7 ptt180 -90.36 108.79 19.99 Favored 'General case' 0 C--N 1.322 -0.605 0 CA-C-O 121.365 0.602 . . . . 0.0 110.781 -177.074 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 76' ' ' LEU . . . . . . . . . . . . . 25.7 mt -80.27 98.42 7.39 Favored 'General case' 0 C--N 1.322 -0.588 0 CA-C-N 115.099 -0.955 . . . . 0.0 109.012 177.002 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 77' ' ' GLN . . . . . 0.419 ' HA ' ' HD3' ' A' ' 78' ' ' PRO . 46.3 mt-30 -84.69 129.45 56.98 Favored Pre-proline 0 C--N 1.318 -0.789 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.497 -175.992 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 78' ' ' PRO . . . . . 0.419 ' HD3' ' HA ' ' A' ' 77' ' ' GLN . 31.9 Cg_exo -59.58 -9.86 10.08 Favored 'Trans proline' 0 C--N 1.347 0.453 0 C-N-CA 123.235 2.623 . . . . 0.0 112.62 179.662 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 79' ' ' GLN . . . . . . . . . . . . . 14.4 mm100 -80.01 -7.28 58.74 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.47 177.459 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . 97.42 25.71 10.72 Favored Glycine 0 N--CA 1.447 -0.568 0 C-N-CA 120.828 -0.701 . . . . 0.0 112.95 176.715 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 81' ' ' GLN . . . . . . . . . . . . . 2.1 mp0 -125.55 130.93 52.69 Favored 'General case' 0 C--N 1.325 -0.468 0 CA-C-N 117.162 0.481 . . . . 0.0 111.118 -179.826 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 82' ' ' ILE . . . . . . . . . . . . . 62.5 mt -106.65 118.44 54.37 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.39 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.169 176.931 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 83' ' ' VAL . . . . . . . . . . . . . 25.2 t -120.4 133.89 65.65 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.417 -0.356 . . . . 0.0 110.352 179.347 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 84' ' ' LEU . . . . . 0.468 HD21 ' N ' ' A' ' 85' ' ' SER . 2.3 tt -107.92 139.11 43.02 Favored 'General case' 0 C--N 1.327 -0.405 0 N-CA-C 109.621 -0.511 . . . . 0.0 109.621 -177.439 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 85' ' ' SER . . . . . 0.468 ' N ' HD21 ' A' ' 84' ' ' LEU . 39.7 m -142.47 155.06 45.03 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.881 0.372 . . . . 0.0 110.007 176.913 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 86' ' ' ARG . . . . . . . . . . . . . 30.6 ttt180 -87.22 96.38 10.31 Favored 'General case' 0 C--N 1.323 -0.562 0 CA-C-O 120.972 0.415 . . . . 0.0 110.867 -177.234 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 87' ' ' LEU . . . . . . . . . . . . . 3.8 mm? . . . . . 0 C--N 1.324 -0.516 0 CA-C-N 115.865 -0.607 . . . . 0.0 109.939 176.311 . . . . . . . . 0 0 . 1 . 020 nuclear orig core ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 22.8 tp60 . . . . . 0 N--CA 1.454 -0.266 0 N-CA-C 109.742 -0.466 . . . . 0.0 109.742 . . . . . . . . . 0 0 . 1 . 020 nuclear orig core ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 13.4 pt20 -139.4 152.26 46.94 Favored 'General case' 0 C--N 1.322 -0.61 0 CA-C-N 115.871 -0.604 . . . . 0.0 110.362 -178.438 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 31.7 mmmt -109.49 146.39 34.66 Favored 'General case' 0 C--N 1.322 -0.593 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.039 178.404 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 15' ' ' ASN . . . . . . . . . . . . . 58.0 t30 -89.44 105.07 17.55 Favored 'General case' 0 C--N 1.322 -0.609 0 CA-C-N 116.031 -0.531 . . . . 0.0 110.082 -179.655 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 16' ' ' PHE . . . . . . . . . . . . . 87.0 m-85 -99.47 109.5 22.05 Favored 'General case' 0 C--N 1.321 -0.663 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.829 -179.235 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 17' ' ' ASN . . . . . 0.539 ' HA ' ' O ' ' A' ' 53' ' ' LEU . 2.8 t-20 -139.34 91.04 2.46 Favored 'General case' 0 C--N 1.319 -0.753 0 N-CA-C 108.962 -0.755 . . . . 0.0 108.962 172.796 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 18' ' ' ILE . . . . . . . . . . . . . 12.5 mt -124.98 114.19 39.26 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.744 0 CA-C-N 115.535 -0.757 . . . . 0.0 110.375 -173.027 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -61.9 148.53 43.21 Favored 'General case' 0 C--N 1.328 -0.354 0 N-CA-C 109.004 -0.739 . . . . 0.0 109.004 172.696 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -63.17 102.67 0.4 Allowed 'General case' 0 C--N 1.33 -0.255 0 CA-C-O 121.306 0.574 . . . . 0.0 111.411 -172.531 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 21' ' ' GLN . . . . . . . . . . . . . 76.0 mt-30 -107.37 167.93 8.71 Favored Pre-proline 0 C--N 1.32 -0.69 0 CA-C-N 115.218 -0.901 . . . . 0.0 109.942 173.663 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 22' ' ' PRO . . . . . . . . . . . . . 52.1 Cg_exo -57.15 141.6 94.37 Favored 'Trans proline' 0 N--CA 1.461 -0.395 0 C-N-CA 121.92 1.746 . . . . 0.0 109.978 166.373 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 23' ' ' LEU . . . . . 0.457 HD21 ' HA ' ' A' ' 67' ' ' ILE . 8.6 mt -58.33 -26.18 62.79 Favored 'General case' 0 C--N 1.326 -0.439 0 N-CA-C 113.605 0.965 . . . . 0.0 113.605 -168.923 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 22.2 mp0 -65.66 -54.33 29.05 Favored 'General case' 0 C--N 1.326 -0.452 0 CA-C-O 120.923 0.392 . . . . 0.0 110.017 175.462 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 25' ' ' SER . . . . . 0.661 ' O ' ' HG2' ' A' ' 29' ' ' ARG . 43.6 t -65.77 -35.8 81.74 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 115.946 -0.57 . . . . 0.0 110.62 179.117 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -53.57 -52.38 59.92 Favored 'General case' 0 C--O 1.232 0.179 0 CA-C-O 120.978 0.418 . . . . 0.0 111.642 -178.235 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 27' ' ' MET . . . . . 0.576 ' SD ' HG12 ' A' ' 38' ' ' VAL . 40.7 mtt -76.86 -31.66 56.97 Favored 'General case' 0 C--O 1.215 -0.734 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.241 -179.48 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 28' ' ' LEU . . . . . 0.421 ' C ' HD21 ' A' ' 28' ' ' LEU . 8.3 tt -56.71 -32.29 65.35 Favored 'General case' 0 C--N 1.322 -0.622 0 N-CA-C 109.667 -0.494 . . . . 0.0 109.667 175.455 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 29' ' ' ARG . . . . . 0.661 ' HG2' ' O ' ' A' ' 25' ' ' SER . 20.9 mmt180 -67.91 -60.24 2.66 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 116.432 -0.349 . . . . 0.0 110.886 176.405 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 20.6 t80 -74.27 -56.01 5.37 Favored 'General case' 0 C--N 1.325 -0.476 0 N-CA-C 112.115 0.413 . . . . 0.0 112.115 -176.674 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -59.24 -37.29 77.18 Favored 'General case' 0 C--N 1.322 -0.611 0 CA-C-N 115.815 -0.629 . . . . 0.0 112.458 -169.546 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 32' ' ' GLU . . . . . 0.406 ' HG3' ' O ' ' A' ' 28' ' ' LEU . 21.1 mt-10 -60.47 -33.81 73.12 Favored 'General case' 0 N--CA 1.466 0.355 0 C-N-CA 120.037 -0.665 . . . . 0.0 111.707 -178.528 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 33' ' ' GLN . . . . . . . . . . . . . 1.3 mp0 -81.49 -8.94 59.79 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 120.938 0.399 . . . . 0.0 110.918 177.666 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -108.15 8.0 27.83 Favored 'General case' 0 C--N 1.324 -0.528 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.878 179.052 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 76.47 30.15 57.02 Favored Glycine 0 N--CA 1.452 -0.237 0 C-N-CA 121.103 -0.57 . . . . 0.0 112.751 178.573 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 36' ' ' MET . . . . . 0.52 ' HA ' ' O ' ' A' ' 80' ' ' GLY . 74.4 mtm -134.26 174.16 10.82 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-O 120.799 0.333 . . . . 0.0 110.91 -179.162 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 37' ' ' GLN . . . . . . . . . . . . . 55.3 tt0 -160.26 163.07 33.74 Favored 'General case' 0 C--N 1.325 -0.49 0 N-CA-C 108.773 -0.825 . . . . 0.0 108.773 -179.572 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 38' ' ' VAL . . . . . 0.576 HG12 ' SD ' ' A' ' 27' ' ' MET . 34.4 m -75.14 147.54 8.28 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.436 0 CA-C-O 120.836 0.351 . . . . 0.0 111.091 -175.516 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 39' ' ' PHE . . . . . . . . . . . . . 65.1 t80 -142.24 121.54 13.1 Favored 'General case' 0 C--N 1.324 -0.52 0 CA-C-O 121.223 0.535 . . . . 0.0 110.929 175.336 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 40' ' ' PHE . . . . . . . . . . . . . 44.0 p90 -161.63 143.87 11.75 Favored 'General case' 0 C--N 1.321 -0.632 0 CA-C-N 115.307 -0.86 . . . . 0.0 109.165 175.212 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 26.0 t70 -123.36 -56.28 1.72 Allowed 'General case' 0 C--N 1.321 -0.66 0 CA-C-O 120.986 0.422 . . . . 0.0 109.985 179.563 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 43.9 mt-10 -128.38 89.15 2.86 Favored 'General case' 0 C--N 1.322 -0.603 0 CA-C-N 115.88 -0.6 . . . . 0.0 110.239 176.035 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 43' ' ' VAL . . . . . . . . . . . . . 27.0 m -130.7 -162.12 0.32 Allowed 'Isoleucine or valine' 0 C--N 1.321 -0.637 0 CA-C-N 115.598 -0.728 . . . . 0.0 109.67 -179.54 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 37.9 ttpt -50.56 142.2 11.19 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-O 120.868 0.366 . . . . 0.0 110.812 176.254 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 53.1 tp -48.29 131.83 16.46 Favored 'General case' 0 C--O 1.234 0.28 0 CA-C-N 115.403 -0.817 . . . . 0.0 111.369 179.907 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 17.0 t70 -56.29 149.63 16.06 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 115.647 -0.706 . . . . 0.0 110.809 179.058 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 120.24 13.64 5.78 Favored Glycine 0 N--CA 1.444 -0.811 0 N-CA-C 110.274 -1.13 . . . . 0.0 110.274 -169.162 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 48' ' ' MET . . . . . 0.433 ' HG3' ' HB2' ' A' ' 23' ' ' LEU . 16.9 ptt? -86.85 137.07 32.71 Favored 'General case' 0 N--CA 1.449 -0.496 0 CA-C-N 115.026 -0.587 . . . . 0.0 110.287 -177.902 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 26.7 pt20 -138.05 151.31 47.74 Favored 'General case' 0 C--N 1.32 -0.683 0 CA-C-N 116.112 -0.495 . . . . 0.0 110.507 -174.582 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -87.49 -176.5 5.62 Favored 'General case' 0 C--N 1.321 -0.649 0 CA-C-N 115.578 -0.737 . . . . 0.0 110.442 -178.757 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -111.44 168.36 9.6 Favored 'General case' 0 C--N 1.322 -0.616 0 N-CA-C 109.777 -0.453 . . . . 0.0 109.777 176.786 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -65.05 95.74 0.18 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 121.104 0.478 . . . . 0.0 110.099 176.954 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 53' ' ' LEU . . . . . 0.539 ' O ' ' HA ' ' A' ' 17' ' ' ASN . 57.2 tp -88.24 126.56 35.22 Favored 'General case' 0 C--N 1.32 -0.675 0 CA-C-N 115.573 -0.739 . . . . 0.0 111.194 -174.113 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 54' ' ' ASN . . . . . . . . . . . . . 22.5 t-20 -145.76 101.21 3.52 Favored 'General case' 0 C--N 1.323 -0.565 0 CA-C-N 116.217 -0.447 . . . . 0.0 109.825 176.44 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . -172.03 152.3 16.88 Favored Glycine 0 N--CA 1.447 -0.591 0 C-N-CA 120.405 -0.902 . . . . 0.0 112.757 -179.039 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 15.4 m -106.49 109.8 21.83 Favored 'General case' 0 C--N 1.322 -0.619 0 N-CA-C 109.369 -0.604 . . . . 0.0 109.369 177.362 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 57' ' ' MET . . . . . 0.431 ' HE3' ' HA2' ' A' ' 62' ' ' GLY . 11.1 ptt? -163.13 -178.58 6.1 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-N 116.63 -0.259 . . . . 0.0 111.271 -170.358 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 42.7 m -86.27 172.31 10.57 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-N 116.368 -0.378 . . . . 0.0 111.125 -179.452 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 59' ' ' VAL . . . . . . . . . . . . . 23.9 t -58.0 -47.17 87.36 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.282 0 CA-C-O 120.543 0.211 . . . . 0.0 110.908 -179.446 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 60' ' ' GLU . . . . . 0.56 ' O ' ' HG3' ' A' ' 64' ' ' ARG . 24.8 mt-10 -51.83 -55.74 18.16 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 115.966 -0.561 . . . . 0.0 111.179 178.843 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 61' ' ' GLN . . . . . . . . . . . . . 39.9 mt-30 -64.59 -43.2 94.58 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-N 115.879 -0.6 . . . . 0.0 110.923 -179.104 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 62' ' ' GLY . . . . . 0.431 ' HA2' ' HE3' ' A' ' 57' ' ' MET . . . -57.33 -53.57 43.79 Favored Glycine 0 N--CA 1.446 -0.646 0 CA-C-N 115.649 -0.705 . . . . 0.0 113.119 -176.408 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 63' ' ' LEU . . . . . 0.443 HD12 HD13 ' A' ' 67' ' ' ILE . 4.6 mm? -62.25 -27.26 68.88 Favored 'General case' 0 C--N 1.325 -0.467 0 N-CA-C 111.879 0.325 . . . . 0.0 111.879 -176.627 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 64' ' ' ARG . . . . . 0.56 ' HG3' ' O ' ' A' ' 60' ' ' GLU . 20.7 mtp180 -61.15 -60.03 4.4 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-O 120.686 0.279 . . . . 0.0 110.979 -178.942 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 65' ' ' ARG . . . . . . . . . . . . . 11.4 ttp180 -74.6 -23.51 58.74 Favored 'General case' 0 C--N 1.324 -0.524 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.777 -179.485 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 66' ' ' LEU . . . . . 0.421 ' HB2' ' O ' ' A' ' 62' ' ' GLY . 6.2 tt -66.76 -54.67 20.38 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 115.978 -0.555 . . . . 0.0 110.725 179.526 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 67' ' ' ILE . . . . . 0.457 ' HA ' HD21 ' A' ' 23' ' ' LEU . 67.2 mt -81.36 -65.28 0.84 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 N-CA-C 112.845 0.683 . . . . 0.0 112.845 -168.981 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 68' ' ' GLY . . . . . 0.4 ' C ' ' H ' ' A' ' 70' ' ' ASN . . . -114.98 -62.01 0.38 Allowed Glycine 0 N--CA 1.443 -0.856 0 C-N-CA 119.408 -1.377 . . . . 0.0 114.411 -171.131 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . 86.94 -22.3 15.16 Favored Glycine 0 N--CA 1.447 -0.574 0 N-CA-C 110.038 -1.225 . . . . 0.0 110.038 -165.286 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 70' ' ' ASN . . . . . 0.4 ' H ' ' C ' ' A' ' 68' ' ' GLY . 8.9 p30 -102.63 164.35 15.81 Favored Pre-proline 0 C--N 1.328 -0.351 0 N-CA-C 109.082 -0.711 . . . . 0.0 109.082 173.1 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 71' ' ' PRO . . . . . . . . . . . . . 50.4 Cg_exo -55.92 99.6 0.07 OUTLIER 'Trans proline' 0 C--N 1.348 0.53 0 C-N-CA 122.723 2.282 . . . . 0.0 113.487 -179.65 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 72' ' ' VAL . . . . . . . . . . . . . 21.4 t -135.91 159.59 39.28 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 N-CA-C 107.343 -1.355 . . . . 0.0 107.343 174.214 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -115.56 121.13 41.69 Favored 'General case' 0 C--N 1.319 -0.741 0 CA-C-N 118.221 0.464 . . . . 0.0 111.576 -179.479 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 74' ' ' PHE . . . . . . . . . . . . . 10.7 p90 -109.45 126.88 53.95 Favored 'General case' 0 C--N 1.328 -0.359 0 N-CA-C 109.422 -0.585 . . . . 0.0 109.422 172.984 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 75' ' ' ARG . . . . . . . . . . . . . 14.5 mmm180 -117.52 116.83 27.89 Favored 'General case' 0 C--N 1.318 -0.786 0 CA-C-N 116.068 -0.515 . . . . 0.0 110.14 -179.418 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 76' ' ' LEU . . . . . . . . . . . . . 35.1 mt -88.86 98.42 11.72 Favored 'General case' 0 C--N 1.319 -0.759 0 CA-C-N 115.613 -0.721 . . . . 0.0 109.235 -179.708 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 77' ' ' GLN . . . . . 0.406 ' CD ' ' HB2' ' A' ' 81' ' ' GLN . 2.3 pt20 -80.61 139.54 51.07 Favored Pre-proline 0 C--N 1.32 -0.691 0 C-N-CA 120.88 -0.328 . . . . 0.0 110.195 -175.422 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 78' ' ' PRO . . . . . . . . . . . . . 52.4 Cg_exo -54.58 -20.6 21.69 Favored 'Trans proline' 0 C--N 1.348 0.522 0 C-N-CA 123.501 2.801 . . . . 0.0 113.547 -179.097 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 79' ' ' GLN . . . . . . . . . . . . . 27.6 mm-40 -80.23 0.92 30.5 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 120.881 0.372 . . . . 0.0 111.332 177.935 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 80' ' ' GLY . . . . . 0.52 ' O ' ' HA ' ' A' ' 36' ' ' MET . . . 87.95 44.2 5.47 Favored Glycine 0 N--CA 1.446 -0.677 0 C-N-CA 121.015 -0.612 . . . . 0.0 113.726 172.407 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 81' ' ' GLN . . . . . 0.406 ' HB2' ' CD ' ' A' ' 77' ' ' GLN . 79.9 mt-30 -138.08 145.31 41.56 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-N 117.47 0.635 . . . . 0.0 110.573 176.215 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 82' ' ' ILE . . . . . . . . . . . . . 48.0 mt -99.15 104.89 16.6 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.568 0 CA-C-N 115.916 -0.584 . . . . 0.0 109.443 177.453 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 83' ' ' VAL . . . . . . . . . . . . . 21.6 t -93.35 131.42 40.39 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.513 0 CA-C-N 115.978 -0.556 . . . . 0.0 110.213 -177.891 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 84' ' ' LEU . . . . . . . . . . . . . 8.8 mp -111.91 146.44 37.77 Favored 'General case' 0 C--N 1.325 -0.493 0 CA-C-O 121.178 0.513 . . . . 0.0 111.573 -179.153 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 85' ' ' SER . . . . . . . . . . . . . 23.1 m -149.53 146.91 27.62 Favored 'General case' 0 C--N 1.323 -0.566 0 CA-C-N 115.372 -0.831 . . . . 0.0 109.439 175.813 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 86' ' ' ARG . . . . . . . . . . . . . 4.0 tmt_? -85.78 93.16 8.81 Favored 'General case' 0 C--N 1.324 -0.518 0 N-CA-C 109.222 -0.659 . . . . 0.0 109.222 -179.486 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 87' ' ' LEU . . . . . . . . . . . . . 62.4 mt . . . . . 0 C--N 1.321 -0.638 0 CA-C-N 115.76 -0.655 . . . . 0.0 109.665 -177.304 . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 7.6 p . . . . . 0 N--CA 1.477 0.89 0 CA-C-O 121.24 0.543 . . . . 0.0 111.043 . . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' A' A ' 7' ' ' MET . . . . . . . . . . . . . 91.4 mtp -135.2 85.17 2.15 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.105 -0.498 . . . . 0.0 109.913 -178.934 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -64.4 -25.73 68.15 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.185 -0.461 . . . . 0.0 112.155 -174.44 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 9' ' ' GLN . . . . . . . . . . . . . 49.3 mt-30 -87.77 -7.51 57.22 Favored 'General case' 0 C--N 1.325 -0.466 0 CA-C-O 120.874 0.369 . . . . 0.0 110.777 -178.009 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -116.74 0.64 12.63 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-O 121.292 0.568 . . . . 0.0 110.843 178.867 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -101.88 137.7 39.83 Favored 'General case' 0 C--N 1.322 -0.59 0 CA-C-N 115.715 -0.675 . . . . 0.0 110.666 -178.732 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 8.8 tt0 -81.29 126.91 32.14 Favored 'General case' 0 C--N 1.324 -0.517 0 CA-C-N 116.352 -0.386 . . . . 0.0 110.548 -179.359 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 77.2 mt-30 -81.43 118.0 22.33 Favored 'General case' 0 C--N 1.324 -0.527 0 CA-C-N 116.395 -0.366 . . . . 0.0 110.077 178.016 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 14' ' ' LYS . . . . . 0.445 ' O ' ' HA ' ' A' ' 56' ' ' SER . 14.1 mmmm -109.63 132.73 53.87 Favored 'General case' 0 C--N 1.321 -0.632 0 N-CA-C 109.498 -0.556 . . . . 0.0 109.498 177.166 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 15' ' ' ASN . . . . . 0.421 ' HA ' ' HA ' ' A' ' 56' ' ' SER . 26.4 t-20 -80.35 108.51 14.03 Favored 'General case' 0 C--N 1.319 -0.731 0 CA-C-O 121.061 0.458 . . . . 0.0 110.111 -179.615 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 16' ' ' PHE . . . . . . . . . . . . . 76.9 m-85 -99.7 146.5 26.45 Favored 'General case' 0 C--N 1.322 -0.591 0 CA-C-N 115.785 -0.643 . . . . 0.0 111.064 -177.939 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 8.1 t30 -135.28 89.07 2.47 Favored 'General case' 0 C--N 1.32 -0.716 0 N-CA-C 108.511 -0.922 . . . . 0.0 108.511 178.137 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 18' ' ' ILE . . . . . 0.517 ' HB ' ' HB3' ' A' ' 53' ' ' LEU . 31.2 mm -112.06 106.44 20.77 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.753 0 CA-C-N 115.938 -0.574 . . . . 0.0 109.96 -176.147 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -63.07 143.63 57.61 Favored 'General case' 0 C--N 1.325 -0.481 0 N-CA-C 108.791 -0.818 . . . . 0.0 108.791 173.12 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -66.38 100.08 0.61 Allowed 'General case' 0 N--CA 1.455 -0.22 0 CA-C-O 121.696 0.76 . . . . 0.0 110.443 -174.624 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 21' ' ' GLN . . . . . . . . . . . . . 44.2 mt-30 -107.7 170.11 5.94 Favored Pre-proline 0 C--N 1.318 -0.771 0 CA-C-N 114.579 -1.191 . . . . 0.0 109.981 176.349 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 22' ' ' PRO . . . . . . . . . . . . . 52.7 Cg_exo -56.98 135.71 72.42 Favored 'Trans proline' 0 N--CA 1.461 -0.388 0 C-N-CA 121.839 1.693 . . . . 0.0 109.44 166.006 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -55.59 -25.71 39.91 Favored 'General case' 0 N--CA 1.466 0.329 0 O-C-N 123.429 0.456 . . . . 0.0 112.039 -170.108 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 66.7 mt-30 -66.12 -52.54 47.6 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-O 121.02 0.438 . . . . 0.0 110.269 177.052 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 15.1 m -76.43 -27.29 56.17 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 115.989 -0.55 . . . . 0.0 110.742 -179.004 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -56.54 -55.06 38.58 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.01 -0.541 . . . . 0.0 110.941 178.461 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 27' ' ' MET . . . . . 0.44 ' CB ' ' HB ' ' A' ' 38' ' ' VAL . 23.5 mmt -75.6 -18.94 59.56 Favored 'General case' 0 C--N 1.325 -0.499 0 CA-C-N 115.986 -0.552 . . . . 0.0 110.796 -178.719 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 9.4 tt -65.16 -36.77 85.28 Favored 'General case' 0 C--N 1.318 -0.787 0 N-CA-C 109.276 -0.639 . . . . 0.0 109.276 173.674 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 12.4 mmm180 -85.42 -31.23 22.99 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.566 -179.569 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 12.2 t80 -80.64 -56.83 3.89 Favored 'General case' 0 C--N 1.322 -0.589 0 CA-C-O 121.378 0.608 . . . . 0.0 111.365 178.079 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -72.09 -17.22 62.01 Favored 'General case' 0 C--N 1.321 -0.639 0 CA-C-N 115.902 -0.59 . . . . 0.0 111.872 -170.158 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 10.0 pt-20 -59.95 -28.32 67.54 Favored 'General case' 0 N--CA 1.464 0.256 0 CA-C-O 121.052 0.453 . . . . 0.0 110.499 174.163 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 33' ' ' GLN . . . . . . . . . . . . . 94.9 mt-30 -90.19 -17.94 26.65 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 121.084 0.468 . . . . 0.0 110.514 178.288 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -97.93 -6.81 31.43 Favored 'General case' 0 C--N 1.326 -0.45 0 CA-C-N 115.797 -0.638 . . . . 0.0 111.775 -178.528 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 79.61 31.59 40.28 Favored Glycine 0 C--N 1.329 0.155 0 C-N-CA 121.07 -0.586 . . . . 0.0 112.674 178.215 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 36' ' ' MET . . . . . . . . . . . . . 70.9 mtm -141.82 175.68 9.52 Favored 'General case' 0 C--N 1.324 -0.508 0 CA-C-O 120.738 0.304 . . . . 0.0 110.332 -177.266 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 37' ' ' GLN . . . . . . . . . . . . . 26.2 tt0 -141.73 154.76 45.5 Favored 'General case' 0 C--N 1.323 -0.567 0 N-CA-C 108.893 -0.78 . . . . 0.0 108.893 171.305 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 38' ' ' VAL . . . . . 0.44 ' HB ' ' CB ' ' A' ' 27' ' ' MET . 7.7 p -78.46 132.18 32.9 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.434 0 CA-C-O 120.978 0.418 . . . . 0.0 110.777 179.973 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 39' ' ' PHE . . . . . . . . . . . . . 59.2 t80 -110.16 120.24 41.81 Favored 'General case' 0 C--N 1.325 -0.487 0 CA-C-N 115.934 -0.575 . . . . 0.0 109.74 179.264 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 40' ' ' PHE . . . . . . . . . . . . . 19.1 p90 -134.27 117.81 16.86 Favored 'General case' 0 C--N 1.32 -0.681 0 CA-C-N 115.81 -0.632 . . . . 0.0 110.202 -178.551 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 32.9 t70 -121.42 -61.23 1.55 Allowed 'General case' 0 C--N 1.323 -0.57 0 C-N-CA 120.839 -0.345 . . . . 0.0 110.666 179.767 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 50.9 mt-10 -116.22 86.78 2.55 Favored 'General case' 0 C--N 1.322 -0.609 0 CA-C-O 121.212 0.53 . . . . 0.0 110.127 177.421 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 43' ' ' VAL . . . . . . . . . . . . . 15.5 m -147.33 -166.8 0.16 Allowed 'Isoleucine or valine' 0 C--N 1.322 -0.63 0 CA-C-N 115.053 -0.976 . . . . 0.0 108.722 179.235 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 37.7 ttpt -67.24 133.33 49.52 Favored 'General case' 0 C--N 1.322 -0.616 0 CA-C-O 121.501 0.667 . . . . 0.0 110.097 174.705 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 3.3 mm? -71.37 167.47 19.47 Favored 'General case' 0 N--CA 1.442 -0.854 0 CA-C-N 114.796 -1.093 . . . . 0.0 111.065 -175.495 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 26.6 t70 -36.16 136.63 0.29 Allowed 'General case' 0 C--N 1.32 -0.709 0 CA-C-N 114.214 -1.357 . . . . 0.0 112.425 -177.663 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 123.33 -4.51 9.51 Favored Glycine 0 N--CA 1.444 -0.818 0 N-CA-C 110.753 -0.939 . . . . 0.0 110.753 -173.281 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 48' ' ' MET . . . . . . . . . . . . . 14.2 tpt -87.63 121.33 29.93 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-O 120.861 0.362 . . . . 0.0 110.366 178.395 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 76.9 mt-30 -112.58 155.36 24.5 Favored 'General case' 0 C--N 1.321 -0.664 0 CA-C-N 116.077 -0.51 . . . . 0.0 110.275 179.257 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -88.11 168.73 12.54 Favored 'General case' 0 C--N 1.321 -0.641 0 CA-C-N 116.034 -0.53 . . . . 0.0 109.975 178.438 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -79.49 156.83 27.64 Favored 'General case' 0 C--N 1.323 -0.568 0 CA-C-N 116.457 -0.338 . . . . 0.0 110.705 -179.854 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -69.52 89.42 0.52 Allowed 'General case' 0 C--N 1.328 -0.334 0 CA-C-O 121.282 0.563 . . . . 0.0 109.7 175.814 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 53' ' ' LEU . . . . . 0.517 ' HB3' ' HB ' ' A' ' 18' ' ' ILE . 1.0 OUTLIER -76.42 123.69 26.38 Favored 'General case' 0 C--N 1.32 -0.707 0 CA-C-N 115.181 -0.918 . . . . 0.0 110.993 -172.075 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 54' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER -150.71 98.42 2.62 Favored 'General case' 0 C--N 1.324 -0.527 0 CA-C-N 115.858 -0.61 . . . . 0.0 109.881 172.668 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . 178.56 161.21 26.02 Favored Glycine 0 N--CA 1.448 -0.534 0 C-N-CA 120.434 -0.889 . . . . 0.0 112.618 -179.069 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 56' ' ' SER . . . . . 0.445 ' HA ' ' O ' ' A' ' 14' ' ' LYS . 38.8 m -94.07 100.81 12.86 Favored 'General case' 0 C--N 1.325 -0.489 0 CA-C-O 121.103 0.478 . . . . 0.0 110.194 176.762 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 57' ' ' MET . . . . . . . . . . . . . 54.6 mtm -134.07 170.9 14.96 Favored 'General case' 0 C--N 1.325 -0.476 0 CA-C-N 115.691 -0.686 . . . . 0.0 111.247 -177.042 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 15.0 m -102.0 -179.55 4.03 Favored 'General case' 0 C--N 1.322 -0.617 0 CA-C-N 115.644 -0.707 . . . . 0.0 109.127 173.291 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 59' ' ' VAL . . . . . 0.602 ' O ' HD23 ' A' ' 63' ' ' LEU . 12.1 p -54.99 -48.16 75.97 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.258 0 CA-C-O 120.777 0.322 . . . . 0.0 111.554 -177.043 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 60' ' ' GLU . . . . . 0.454 ' O ' ' HG3' ' A' ' 64' ' ' ARG . 44.5 mt-10 -62.97 -53.47 53.51 Favored 'General case' 0 C--N 1.316 -0.857 0 CA-C-O 120.835 0.35 . . . . 0.0 111.342 -179.551 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 61' ' ' GLN . . . . . . . . . . . . . 58.8 mt-30 -63.56 -50.2 70.42 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-N 116.051 -0.522 . . . . 0.0 111.576 -176.877 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . -57.23 -51.25 58.65 Favored Glycine 0 N--CA 1.449 -0.446 0 CA-C-N 115.975 -0.557 . . . . 0.0 112.856 -178.365 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 63' ' ' LEU . . . . . 0.602 HD23 ' O ' ' A' ' 59' ' ' VAL . 4.0 mm? -54.67 -43.55 72.53 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-O 120.564 0.221 . . . . 0.0 111.475 -178.725 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 64' ' ' ARG . . . . . 0.454 ' HG3' ' O ' ' A' ' 60' ' ' GLU . 19.9 mtp180 -55.77 -46.85 77.82 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 115.979 -0.555 . . . . 0.0 111.731 -176.971 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 65' ' ' ARG . . . . . . . . . . . . . 76.5 ttt180 -80.8 -28.38 36.29 Favored 'General case' 0 C--N 1.324 -0.525 0 CA-C-O 121.129 0.49 . . . . 0.0 110.596 179.878 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 66' ' ' LEU . . . . . 0.45 HD11 ' HB2' ' A' ' 53' ' ' LEU . 18.1 tp -74.68 -45.64 43.17 Favored 'General case' 0 C--N 1.325 -0.457 0 CA-C-N 115.817 -0.628 . . . . 0.0 111.789 -174.434 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 67' ' ' ILE . . . . . . . . . . . . . 40.1 mt -78.83 -64.94 0.82 Allowed 'Isoleucine or valine' 0 C--N 1.333 -0.152 0 N-CA-C 112.313 0.486 . . . . 0.0 112.313 -175.128 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 68' ' ' GLY . . . . . 0.472 ' C ' ' H ' ' A' ' 70' ' ' ASN . . . -115.4 -62.29 0.37 Allowed Glycine 0 N--CA 1.444 -0.795 0 C-N-CA 119.421 -1.371 . . . . 0.0 114.548 -171.638 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . 82.91 -23.02 6.15 Favored Glycine 0 N--CA 1.45 -0.37 0 N-CA-C 109.836 -1.305 . . . . 0.0 109.836 -163.226 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 70' ' ' ASN . . . . . 0.472 ' H ' ' C ' ' A' ' 68' ' ' GLY . 2.6 p-10 -102.43 157.73 33.15 Favored Pre-proline 0 C--N 1.328 -0.369 0 C-N-CA 123.732 0.813 . . . . 0.0 109.2 171.57 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 71' ' ' PRO . . . . . . . . . . . . . 23.4 Cg_exo -64.35 98.15 0.27 Allowed 'Trans proline' 0 C--N 1.346 0.424 0 C-N-CA 122.814 2.343 . . . . 0.0 113.724 -174.038 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 72' ' ' VAL . . . . . . . . . . . . . 31.9 t -140.4 149.65 21.5 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 N-CA-C 106.928 -1.508 . . . . 0.0 106.928 171.251 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -104.86 130.69 52.94 Favored 'General case' 0 C--N 1.321 -0.637 0 CA-C-N 118.698 0.681 . . . . 0.0 111.98 -170.497 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 74' ' ' PHE . . . . . . . . . . . . . 11.7 p90 -113.92 126.17 54.86 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.159 -0.473 . . . . 0.0 109.993 176.528 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 75' ' ' ARG . . . . . . . . . . . . . 79.8 ttt180 -100.45 119.26 38.2 Favored 'General case' 0 C--N 1.322 -0.594 0 CA-C-N 116.311 -0.404 . . . . 0.0 110.239 178.615 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 76' ' ' LEU . . . . . . . . . . . . . 84.3 mt -87.78 118.78 27.53 Favored 'General case' 0 C--N 1.322 -0.601 0 CA-C-N 116.012 -0.54 . . . . 0.0 111.161 -177.885 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 77' ' ' GLN . . . . . . . . . . . . . 38.9 mt-30 -116.43 98.67 51.91 Favored Pre-proline 0 C--N 1.318 -0.777 0 N-CA-C 108.451 -0.944 . . . . 0.0 108.451 172.041 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 78' ' ' PRO . . . . . . . . . . . . . 54.5 Cg_exo -52.29 -33.26 54.69 Favored 'Trans proline' 0 C--N 1.345 0.367 0 C-N-CA 123.327 2.685 . . . . 0.0 113.376 -174.07 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 79' ' ' GLN . . . . . . . . . . . . . 45.2 mt-30 -106.2 12.9 29.6 Favored 'General case' 0 C--N 1.324 -0.526 0 CA-C-N 116.541 -0.3 . . . . 0.0 110.846 -177.713 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . -140.08 -110.57 0.88 Allowed Glycine 0 N--CA 1.442 -0.915 0 C-N-CA 120.288 -0.958 . . . . 0.0 113.076 -178.126 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 81' ' ' GLN . . . . . . . . . . . . . 48.7 mt-30 -138.9 158.63 43.85 Favored 'General case' 0 C--N 1.322 -0.627 0 CA-C-O 121.226 0.536 . . . . 0.0 111.463 -172.493 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 82' ' ' ILE . . . . . . . . . . . . . 54.8 mt -90.12 99.91 10.18 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.562 0 CA-C-N 115.432 -0.803 . . . . 0.0 109.174 175.992 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 83' ' ' VAL . . . . . . . . . . . . . 93.4 t -85.06 116.63 28.86 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.605 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.738 -176.855 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 84' ' ' LEU . . . . . . . . . . . . . 21.4 tp -89.6 130.02 35.97 Favored 'General case' 0 C--N 1.323 -0.55 0 N-CA-C 109.621 -0.511 . . . . 0.0 109.621 176.315 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 85' ' ' SER . . . . . . . . . . . . . 6.7 p -141.06 154.12 45.81 Favored 'General case' 0 C--N 1.321 -0.671 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.558 -177.879 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 86' ' ' ARG . . . . . . . . . . . . . 1.4 tmm_? -95.05 101.05 12.79 Favored 'General case' 0 C--N 1.324 -0.534 0 N-CA-C 109.287 -0.634 . . . . 0.0 109.287 179.872 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 87' ' ' LEU . . . . . . . . . . . . . 11.0 mp -106.98 162.89 18.24 Favored Pre-proline 0 C--N 1.318 -0.782 0 CA-C-N 115.891 -0.595 . . . . 0.0 109.474 175.532 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 88' ' ' PRO . . . . . . . . . . . . . 52.6 Cg_exo -56.16 139.7 86.08 Favored 'Trans proline' 0 C--O 1.235 0.341 0 C-N-CA 122.636 2.224 . . . . 0.0 112.684 -179.884 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 89' ' ' THR . . . . . . . . . . . . . 36.4 m -57.6 131.69 50.98 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 115.595 -0.729 . . . . 0.0 110.577 178.275 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 90' ' ' ALA . . . . . . . . . . . . . . . -64.11 109.52 1.86 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 115.995 -0.548 . . . . 0.0 111.251 -178.648 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 91' ' ' ASN . . . . . . . . . . . . . 71.5 m-20 -106.87 2.94 25.79 Favored 'General case' 0 C--N 1.325 -0.47 0 CA-C-N 115.763 -0.653 . . . . 0.0 109.868 177.657 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 92' ' ' GLY . . . . . 0.479 ' HA3' ' HA ' ' A' ' 100' ' ' ASP . . . -80.03 31.47 2.29 Favored Glycine 0 N--CA 1.452 -0.267 0 CA-C-N 115.716 -0.675 . . . . 0.0 113.644 -171.856 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 69.8 m-20 -93.48 20.27 7.45 Favored 'General case' 0 C--N 1.322 -0.605 0 CA-C-O 121.153 0.502 . . . . 0.0 110.297 176.825 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 94' ' ' GLY . . . . . . . . . . . . . . . 96.96 -12.91 65.52 Favored Glycine 0 N--CA 1.449 -0.497 0 CA-C-N 115.683 -0.689 . . . . 0.0 111.986 -177.511 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 95' ' ' GLY . . . . . . . . . . . . . . . -74.0 -33.68 56.91 Favored Glycine 0 N--CA 1.45 -0.422 0 C-N-CA 120.767 -0.73 . . . . 0.0 111.317 175.101 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 96' ' ' ALA . . . . . . . . . . . . . . . -148.98 162.9 38.98 Favored 'General case' 0 C--N 1.327 -0.408 0 N-CA-C 109.962 -0.384 . . . . 0.0 109.962 176.904 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 97' ' ' LEU . . . . . . . . . . . . . 91.0 mt -109.25 -169.9 1.56 Allowed 'General case' 0 C--N 1.323 -0.569 0 CA-C-N 116.256 -0.429 . . . . 0.0 109.982 178.939 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 98' ' ' ALA . . . . . . . . . . . . . . . 73.63 -53.91 0.69 Allowed 'General case' 0 N--CA 1.467 0.384 0 C-N-CA 123.629 0.772 . . . . 0.0 111.158 179.866 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 99' ' ' LEU . . . . . . . . . . . . . 4.1 mm? -78.31 0.84 23.84 Favored 'General case' 0 C--N 1.325 -0.498 0 CA-C-N 116.541 -0.299 . . . . 0.0 111.185 178.684 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 100' ' ' ASP . . . . . 0.479 ' HA ' ' HA3' ' A' ' 92' ' ' GLY . 5.6 p-10 -64.93 -30.62 71.62 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.831 -0.168 . . . . 0.0 110.926 178.808 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 12.1 p -67.6 -29.91 69.37 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-O 121.062 0.458 . . . . 0.0 110.886 177.993 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 102' ' ' LEU . . . . . . . . . . . . . 64.6 tp -86.45 -28.02 23.75 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 121.277 0.561 . . . . 0.0 110.093 177.515 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 103' ' ' THR . . . . . . . . . . . . . 44.6 m -65.82 -50.9 62.98 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-N 115.647 -0.706 . . . . 0.0 109.945 177.882 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 104' ' ' VAL . . . . . . . . . . . . . 4.9 p -111.99 88.62 1.15 Allowed 'Isoleucine or valine' 0 C--N 1.322 -0.62 0 CA-C-O 122.029 0.918 . . . . 0.0 109.258 172.759 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 105' ' ' LEU . . . . . . . . . . . . . 63.1 tp -109.87 -26.25 9.89 Favored 'General case' 0 C--N 1.323 -0.584 0 CA-C-N 115.21 -0.905 . . . . 0.0 110.44 -176.282 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 106' ' ' GLY . . . . . . . . . . . . . . . 120.19 -129.43 7.93 Favored Glycine 0 N--CA 1.442 -0.905 0 CA-C-N 115.637 -0.71 . . . . 0.0 111.473 -176.046 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 107' ' ' ALA . . . . . . . . . . . . . . . -86.36 117.97 25.49 Favored 'General case' 0 C--N 1.322 -0.6 0 CA-C-O 120.555 0.217 . . . . 0.0 110.686 179.405 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 108' ' ' GLY . . . . . . . . . . . . . . . 100.59 76.36 1.21 Allowed Glycine 0 N--CA 1.449 -0.473 0 C-N-CA 120.654 -0.784 . . . . 0.0 112.295 178.614 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 109' ' ' GLY . . . . . . . . . . . . . . . -124.83 -149.64 7.64 Favored Glycine 0 N--CA 1.447 -0.567 0 N-CA-C 111.522 -0.631 . . . . 0.0 111.522 179.067 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 110' ' ' ASN . . . . . . . . . . . . . 30.8 m-80 -70.96 137.94 49.57 Favored 'General case' 0 C--N 1.325 -0.491 0 CA-C-O 120.713 0.292 . . . . 0.0 110.686 176.736 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 111' ' ' ASN . . . . . 0.447 ' HA ' ' HA ' ' A' ' 64' ' ' ARG . 63.9 m-80 -75.24 63.03 1.31 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.913 178.305 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 112' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.249 1.03 0 CA-C-O 118.506 -0.759 . . . . 0.0 109.736 177.848 . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 12.0 m . . . . . 0 N--CA 1.478 0.936 0 CA-C-O 120.741 0.305 . . . . 0.0 110.768 . . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' A' A ' 7' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -62.07 -33.68 74.87 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.318 -0.401 . . . . 0.0 111.714 -175.183 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -78.13 -37.27 46.54 Favored 'General case' 0 C--N 1.326 -0.438 0 CA-C-O 121.028 0.442 . . . . 0.0 110.727 -178.296 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 9' ' ' GLN . . . . . . . . . . . . . 95.0 mt-30 -79.0 -18.95 52.75 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.984 -179.275 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -81.17 -14.97 57.07 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-O 120.975 0.417 . . . . 0.0 110.869 177.222 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -90.21 2.94 54.86 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-O 121.255 0.55 . . . . 0.0 110.77 -179.444 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 13.9 pt20 -130.4 138.93 50.6 Favored 'General case' 0 C--N 1.323 -0.578 0 CA-C-N 115.871 -0.604 . . . . 0.0 109.985 178.686 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 48.5 mt-30 -125.65 141.08 52.21 Favored 'General case' 0 C--N 1.319 -0.75 0 CA-C-N 116.353 -0.385 . . . . 0.0 110.646 -177.577 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 14' ' ' LYS . . . . . 0.447 ' HB2' ' CZ ' ' A' ' 16' ' ' PHE . 35.4 mmtp -123.3 159.21 29.28 Favored 'General case' 0 C--N 1.322 -0.622 0 CA-C-N 115.823 -0.626 . . . . 0.0 110.011 179.23 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 15' ' ' ASN . . . . . . . . . . . . . 48.6 t-20 -89.82 101.87 14.57 Favored 'General case' 0 C--N 1.321 -0.642 0 CA-C-N 115.975 -0.557 . . . . 0.0 109.729 -179.73 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 16' ' ' PHE . . . . . 0.447 ' CZ ' ' HB2' ' A' ' 14' ' ' LYS . 47.4 m-85 -99.54 131.27 45.65 Favored 'General case' 0 C--N 1.324 -0.527 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.471 -177.452 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 61.1 t30 -139.37 89.89 2.37 Favored 'General case' 0 C--N 1.32 -0.717 0 CA-C-N 115.988 -0.551 . . . . 0.0 109.598 178.348 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 18' ' ' ILE . . . . . 0.451 ' HB ' ' HB3' ' A' ' 53' ' ' LEU . 8.9 mm -112.71 122.4 66.81 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.657 0 CA-C-N 116.076 -0.511 . . . . 0.0 110.606 -174.321 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -79.39 146.44 32.83 Favored 'General case' 0 C--N 1.323 -0.553 0 N-CA-C 108.016 -1.105 . . . . 0.0 108.016 169.138 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -64.76 102.03 0.54 Allowed 'General case' 0 C--N 1.33 -0.242 0 CA-C-O 121.543 0.687 . . . . 0.0 110.91 -173.643 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 21' ' ' GLN . . . . . . . . . . . . . 35.2 mt-30 -106.84 169.87 6.33 Favored Pre-proline 0 C--N 1.319 -0.747 0 CA-C-N 114.635 -1.166 . . . . 0.0 109.729 176.412 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 22' ' ' PRO . . . . . . . . . . . . . 41.5 Cg_exo -57.26 136.52 76.83 Favored 'Trans proline' 0 N--CA 1.462 -0.366 0 C-N-CA 121.696 1.598 . . . . 0.0 110.001 168.202 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -51.89 -42.86 63.02 Favored 'General case' 0 C--N 1.328 -0.352 0 N-CA-C 112.598 0.592 . . . . 0.0 112.598 -167.248 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 24' ' ' GLN . . . . . 0.426 ' HA ' HG22 ' A' ' 38' ' ' VAL . 97.8 mt-30 -60.13 -42.16 94.19 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.934 0.397 . . . . 0.0 111.124 179.448 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 25' ' ' SER . . . . . 0.475 ' O ' ' HG2' ' A' ' 29' ' ' ARG . 38.0 t -79.47 -29.24 41.64 Favored 'General case' 0 C--N 1.325 -0.475 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.712 -178.704 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -60.29 -54.57 44.13 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.003 -179.412 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 27' ' ' MET . . . . . 0.571 ' HB2' ' CG2' ' A' ' 38' ' ' VAL . 63.3 mtt -67.31 -30.71 70.63 Favored 'General case' 0 C--O 1.215 -0.722 0 CA-C-N 116.071 -0.513 . . . . 0.0 110.475 179.335 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 53.7 tp -58.2 -30.45 66.47 Favored 'General case' 0 C--N 1.321 -0.641 0 CA-C-O 120.953 0.406 . . . . 0.0 110.486 178.053 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 29' ' ' ARG . . . . . 0.475 ' HG2' ' O ' ' A' ' 25' ' ' SER . 26.4 mmt180 -76.6 -51.56 11.38 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-O 120.914 0.388 . . . . 0.0 111.117 179.286 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 0.4 OUTLIER -80.08 -50.24 10.61 Favored 'General case' 0 C--N 1.326 -0.449 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.813 -176.275 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 31' ' ' ALA . . . . . 0.4 ' HB1' ' HB2' ' A' ' 36' ' ' MET . . . -67.56 -29.9 69.4 Favored 'General case' 0 C--N 1.322 -0.622 0 CA-C-N 116.2 -0.454 . . . . 0.0 111.778 -171.503 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 16.2 mm-40 -60.82 -29.42 69.47 Favored 'General case' 0 N--CA 1.466 0.344 0 C-N-CA 120.426 -0.51 . . . . 0.0 111.314 176.773 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 33' ' ' GLN . . . . . . . . . . . . . 28.2 mt-30 -70.31 -30.33 67.3 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-O 121.049 0.452 . . . . 0.0 110.344 176.187 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -94.57 -5.63 45.45 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 115.977 -0.556 . . . . 0.0 111.27 180.0 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 84.67 38.17 9.85 Favored Glycine 0 N--CA 1.45 -0.379 0 C-N-CA 121.126 -0.559 . . . . 0.0 112.864 178.766 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 36' ' ' MET . . . . . 0.4 ' HB2' ' HB1' ' A' ' 31' ' ' ALA . 73.9 mtm -136.74 163.56 30.32 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-N 116.966 0.383 . . . . 0.0 110.894 -179.986 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 37' ' ' GLN . . . . . . . . . . . . . 41.9 mt-30 -146.43 161.8 39.62 Favored 'General case' 0 C--N 1.326 -0.428 0 CA-C-N 116.06 -0.518 . . . . 0.0 110.655 179.566 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 38' ' ' VAL . . . . . 0.571 ' CG2' ' HB2' ' A' ' 27' ' ' MET . 17.7 t -77.55 134.42 28.52 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.424 0 CA-C-N 115.688 -0.687 . . . . 0.0 110.224 -179.026 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 39' ' ' PHE . . . . . . . . . . . . . 70.1 t80 -136.09 118.16 15.4 Favored 'General case' 0 C--N 1.323 -0.548 0 CA-C-O 120.932 0.396 . . . . 0.0 111.148 -178.788 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 40' ' ' PHE . . . . . . . . . . . . . 59.7 m-85 -130.15 146.3 51.78 Favored 'General case' 0 C--N 1.321 -0.658 0 CA-C-N 115.763 -0.653 . . . . 0.0 109.768 173.305 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 6.8 p-10 -93.49 -162.01 0.9 Allowed 'General case' 0 C--N 1.323 -0.584 0 N-CA-C 109.076 -0.712 . . . . 0.0 109.076 174.597 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 31.5 mm-40 -68.2 89.19 0.31 Allowed 'General case' 0 C--N 1.324 -0.52 0 CA-C-O 121.33 0.586 . . . . 0.0 111.21 -179.634 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 43' ' ' VAL . . . . . . . . . . . . . 36.0 m -128.44 161.38 37.23 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.528 0 CA-C-N 115.552 -0.749 . . . . 0.0 110.178 179.491 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 29.3 ttpp -98.36 89.59 4.51 Favored 'General case' 0 C--N 1.324 -0.532 0 CA-C-O 121.073 0.463 . . . . 0.0 110.208 -179.8 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 58.0 tp -144.56 114.28 7.23 Favored 'General case' 0 C--N 1.325 -0.493 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.297 -178.337 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 36.1 m-20 -130.44 151.9 50.42 Favored 'General case' 0 C--N 1.325 -0.466 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.314 -178.485 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 70.51 22.84 77.9 Favored Glycine 0 N--CA 1.452 -0.29 0 C-N-CA 120.972 -0.632 . . . . 0.0 113.319 174.085 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 48' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -85.25 123.05 30.3 Favored 'General case' 0 C--N 1.324 -0.543 0 CA-C-O 121.144 0.497 . . . . 0.0 110.546 179.756 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 20.6 pt20 -127.63 168.6 14.8 Favored 'General case' 0 C--N 1.325 -0.477 0 CA-C-N 116.011 -0.54 . . . . 0.0 110.219 -179.867 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -88.39 156.42 19.15 Favored 'General case' 0 C--N 1.321 -0.635 0 CA-C-N 116.015 -0.539 . . . . 0.0 110.807 -179.325 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -88.68 173.49 8.57 Favored 'General case' 0 C--N 1.323 -0.574 0 CA-C-N 115.829 -0.623 . . . . 0.0 110.604 179.637 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -65.92 120.67 13.51 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.945 179.621 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 53' ' ' LEU . . . . . 0.451 ' HB3' ' HB ' ' A' ' 18' ' ' ILE . 1.2 tm? -130.06 111.6 12.64 Favored 'General case' 0 C--N 1.326 -0.444 0 CA-C-N 116.317 -0.402 . . . . 0.0 110.626 -174.572 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 54' ' ' ASN . . . . . . . . . . . . . 27.6 t-20 -151.53 102.07 2.85 Favored 'General case' 0 C--N 1.324 -0.504 0 CA-C-N 116.11 -0.496 . . . . 0.0 109.895 174.204 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . 179.02 165.81 33.95 Favored Glycine 0 N--CA 1.449 -0.493 0 C-N-CA 120.626 -0.797 . . . . 0.0 112.45 -179.111 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 56' ' ' SER . . . . . 0.434 ' HA ' ' O ' ' A' ' 14' ' ' LYS . 10.1 p -107.13 116.91 32.75 Favored 'General case' 0 C--N 1.324 -0.523 0 CA-C-O 120.962 0.411 . . . . 0.0 110.043 176.729 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 57' ' ' MET . . . . . 0.421 ' HE3' ' HA2' ' A' ' 62' ' ' GLY . 11.0 ptt? -164.96 -173.12 2.81 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-N 116.058 -0.519 . . . . 0.0 110.866 -173.344 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 18.9 m -90.46 172.17 8.91 Favored 'General case' 0 C--N 1.325 -0.473 0 CA-C-N 116.636 -0.256 . . . . 0.0 111.25 -177.022 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 59' ' ' VAL . . . . . 0.495 ' O ' HD21 ' A' ' 63' ' ' LEU . 24.5 t -54.48 -50.47 57.98 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.265 0 CA-C-O 120.675 0.274 . . . . 0.0 110.602 178.96 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 60' ' ' GLU . . . . . 0.454 ' O ' ' HG3' ' A' ' 64' ' ' ARG . 53.0 mt-10 -52.99 -52.67 57.56 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-N 115.931 -0.577 . . . . 0.0 110.964 -179.725 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 61' ' ' GLN . . . . . . . . . . . . . 17.7 mt-30 -65.3 -37.05 85.96 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.32 -0.4 . . . . 0.0 111.276 -178.465 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 62' ' ' GLY . . . . . 0.421 ' HA2' ' HE3' ' A' ' 57' ' ' MET . . . -62.33 -54.67 32.65 Favored Glycine 0 N--CA 1.446 -0.646 0 C-N-CA 121.199 -0.524 . . . . 0.0 112.43 -177.822 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 63' ' ' LEU . . . . . 0.495 HD21 ' O ' ' A' ' 59' ' ' VAL . 3.9 mm? -64.14 -25.8 68.25 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-O 120.837 0.351 . . . . 0.0 110.825 -178.523 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 64' ' ' ARG . . . . . 0.804 ' HA ' ' OD1' ' A' ' 111' ' ' ASN . 78.2 mtt180 -62.62 -51.21 68.18 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 116.222 -0.445 . . . . 0.0 111.424 178.966 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 65' ' ' ARG . . . . . . . . . . . . . 71.2 mtp180 -80.29 -16.06 55.52 Favored 'General case' 0 C--N 1.323 -0.56 0 CA-C-N 116.229 -0.442 . . . . 0.0 111.436 -179.792 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 48.4 tp -89.95 -39.46 12.98 Favored 'General case' 0 C--N 1.323 -0.565 0 N-CA-C 112.659 0.614 . . . . 0.0 112.659 -172.111 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 67' ' ' ILE . . . . . 0.452 HD11 HD12 ' A' ' 63' ' ' LEU . 65.5 mt -88.69 -65.44 0.96 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 N-CA-C 113.17 0.804 . . . . 0.0 113.17 -170.524 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . -114.86 -62.15 0.39 Allowed Glycine 0 N--CA 1.447 -0.601 0 C-N-CA 119.519 -1.324 . . . . 0.0 114.691 -169.789 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . 85.6 -21.95 12.55 Favored Glycine 0 N--CA 1.451 -0.348 0 N-CA-C 110.388 -1.085 . . . . 0.0 110.388 -166.405 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 70' ' ' ASN . . . . . 0.406 ' HB2' ' HD2' ' A' ' 71' ' ' PRO . 7.2 p30 -102.66 158.23 32.17 Favored Pre-proline 0 C--N 1.327 -0.398 0 N-CA-C 108.769 -0.826 . . . . 0.0 108.769 170.612 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 71' ' ' PRO . . . . . 0.406 ' HD2' ' HB2' ' A' ' 70' ' ' ASN . 19.7 Cg_endo -58.44 99.29 0.1 Allowed 'Trans proline' 0 C--N 1.349 0.559 0 C-N-CA 122.843 2.362 . . . . 0.0 113.461 -177.607 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 72' ' ' VAL . . . . . 0.417 ' CG1' ' HB2' ' A' ' 111' ' ' ASN . 9.5 p -150.91 135.81 10.01 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 CA-C-N 115.46 -0.791 . . . . 0.0 109.274 174.775 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -97.76 136.11 38.57 Favored 'General case' 0 C--N 1.322 -0.602 0 CA-C-O 120.808 0.337 . . . . 0.0 111.782 -168.573 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 74' ' ' PHE . . . . . . . . . . . . . 10.0 p90 -107.72 119.55 39.75 Favored 'General case' 0 C--N 1.324 -0.508 0 CA-C-N 115.944 -0.571 . . . . 0.0 109.913 177.382 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 75' ' ' ARG . . . . . . . . . . . . . 79.9 mtm180 -101.7 110.38 22.36 Favored 'General case' 0 C--N 1.32 -0.705 0 CA-C-N 116.017 -0.538 . . . . 0.0 110.651 -178.185 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 76' ' ' LEU . . . . . . . . . . . . . 81.6 mt -85.34 100.37 11.77 Favored 'General case' 0 C--N 1.326 -0.449 0 CA-C-N 115.65 -0.705 . . . . 0.0 110.146 -179.503 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 77' ' ' GLN . . . . . . . . . . . . . 84.8 mm-40 -89.64 140.88 28.18 Favored Pre-proline 0 C--N 1.322 -0.607 0 CA-C-N 115.934 -0.575 . . . . 0.0 110.808 -177.518 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 78' ' ' PRO . . . . . . . . . . . . . 49.4 Cg_endo -68.65 -0.51 6.12 Favored 'Trans proline' 0 C--N 1.347 0.456 0 C-N-CA 123.162 2.575 . . . . 0.0 112.557 -178.389 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 79' ' ' GLN . . . . . . . . . . . . . 14.1 mm100 -81.62 -2.61 50.82 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.061 -0.518 . . . . 0.0 110.128 176.383 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . 85.08 36.88 10.51 Favored Glycine 0 N--CA 1.445 -0.705 0 N-CA-C 110.994 -0.842 . . . . 0.0 110.994 -175.175 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 81' ' ' GLN . . . . . . . . . . . . . 78.2 mt-30 -128.72 129.51 45.85 Favored 'General case' 0 C--N 1.325 -0.457 0 CA-C-O 120.677 0.275 . . . . 0.0 111.2 -175.364 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 82' ' ' ILE . . . . . . . . . . . . . 45.8 mt -102.23 99.55 8.62 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.579 0 N-CA-C 108.746 -0.835 . . . . 0.0 108.746 170.963 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 83' ' ' VAL . . . . . . . . . . . . . 41.0 t -99.24 120.61 48.83 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.592 0 CA-C-N 116.024 -0.535 . . . . 0.0 110.387 -176.435 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 84' ' ' LEU . . . . . . . . . . . . . 19.8 tp -89.82 146.35 24.51 Favored 'General case' 0 C--N 1.322 -0.61 0 CA-C-N 116.321 -0.4 . . . . 0.0 110.226 179.915 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 85' ' ' SER . . . . . . . . . . . . . 3.6 p -156.27 128.7 7.64 Favored 'General case' 0 C--N 1.322 -0.592 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.63 -179.571 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 86' ' ' ARG . . . . . . . . . . . . . 80.0 mtt-85 -82.53 77.44 9.3 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-O 121.159 0.504 . . . . 0.0 111.436 -178.153 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 87' ' ' LEU . . . . . . . . . . . . . 11.2 mp -73.85 136.49 76.91 Favored Pre-proline 0 C--N 1.323 -0.548 0 CA-C-N 115.636 -0.711 . . . . 0.0 109.783 174.168 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 88' ' ' PRO . . . . . . . . . . . . . 33.2 Cg_endo -64.79 148.41 90.04 Favored 'Trans proline' 0 C--O 1.234 0.276 0 C-N-CA 122.893 2.395 . . . . 0.0 112.237 179.567 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 89' ' ' THR . . . . . . . . . . . . . 24.6 m -58.57 106.78 0.43 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 115.968 -0.56 . . . . 0.0 110.695 178.299 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 90' ' ' ALA . . . . . . . . . . . . . . . -72.67 136.89 45.71 Favored 'General case' 0 C--N 1.325 -0.494 0 CA-C-N 116.119 -0.492 . . . . 0.0 110.857 -179.619 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 91' ' ' ASN . . . . . . . . . . . . . 43.1 t30 -130.2 -49.37 1.1 Allowed 'General case' 0 C--N 1.324 -0.52 0 CA-C-O 121.173 0.511 . . . . 0.0 110.27 178.145 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 92' ' ' GLY . . . . . . . . . . . . . . . -97.5 31.72 7.5 Favored Glycine 0 N--CA 1.449 -0.457 0 CA-C-N 115.794 -0.639 . . . . 0.0 112.585 -177.252 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 6.7 p-10 -69.43 -31.61 70.06 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-O 120.811 0.339 . . . . 0.0 110.759 -179.769 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 94' ' ' GLY . . . . . . . . . . . . . . . 94.88 -7.89 70.38 Favored Glycine 0 N--CA 1.451 -0.345 0 C-N-CA 120.908 -0.663 . . . . 0.0 113.311 174.823 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 95' ' ' GLY . . . . . . . . . . . . . . . 125.87 48.15 0.2 Allowed Glycine 0 N--CA 1.448 -0.543 0 C-N-CA 120.596 -0.812 . . . . 0.0 112.28 -179.292 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 96' ' ' ALA . . . . . . . . . . . . . . . -98.45 135.35 40.14 Favored 'General case' 0 C--N 1.322 -0.63 0 CA-C-O 120.673 0.273 . . . . 0.0 110.653 179.671 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 97' ' ' LEU . . . . . 0.401 HD22 ' H ' ' A' ' 97' ' ' LEU . 2.6 pt? -66.5 153.62 42.44 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 115.978 -0.555 . . . . 0.0 110.238 177.294 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 98' ' ' ALA . . . . . . . . . . . . . . . 74.8 -49.62 0.66 Allowed 'General case' 0 N--CA 1.468 0.466 0 C-N-CA 123.729 0.811 . . . . 0.0 110.547 -176.559 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 99' ' ' LEU . . . . . . . . . . . . . 3.5 mm? -64.72 -27.37 68.86 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 116.241 -0.436 . . . . 0.0 109.93 175.598 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 100' ' ' ASP . . . . . . . . . . . . . 3.2 p30 -59.47 -32.09 69.93 Favored 'General case' 0 C--O 1.233 0.216 0 CA-C-N 115.572 -0.74 . . . . 0.0 111.533 179.65 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 20.0 m -81.49 -21.29 38.79 Favored 'General case' 0 C--N 1.325 -0.461 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.865 -175.214 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 102' ' ' LEU . . . . . . . . . . . . . 94.3 mt -73.92 -25.28 59.9 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-O 121.088 0.47 . . . . 0.0 110.08 177.803 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 103' ' ' THR . . . . . . . . . . . . . 6.8 m -77.17 -31.51 55.54 Favored 'General case' 0 C--N 1.325 -0.476 0 CA-C-N 115.794 -0.639 . . . . 0.0 110.388 177.236 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 104' ' ' VAL . . . . . . . . . . . . . 40.7 t -91.96 89.47 2.92 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 CA-C-N 115.944 -0.571 . . . . 0.0 110.393 -177.922 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 105' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -102.85 -70.06 0.77 Allowed 'General case' 0 C--N 1.322 -0.59 0 N-CA-C 108.87 -0.789 . . . . 0.0 108.87 178.064 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 106' ' ' GLY . . . . . . . . . . . . . . . 65.73 -172.95 23.08 Favored Glycine 0 N--CA 1.451 -0.316 0 C-N-CA 121.053 -0.594 . . . . 0.0 112.971 177.206 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 107' ' ' ALA . . . . . . . . . . . . . . . -99.25 130.28 45.54 Favored 'General case' 0 C--N 1.321 -0.652 0 N-CA-C 110.123 -0.325 . . . . 0.0 110.123 178.148 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 108' ' ' GLY . . . . . . . . . . . . . . . 154.22 -94.18 0.14 Allowed Glycine 0 N--CA 1.445 -0.738 0 C-N-CA 120.804 -0.713 . . . . 0.0 111.852 -178.492 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 109' ' ' GLY . . . . . . . . . . . . . . . 178.75 101.69 0.15 Allowed Glycine 0 N--CA 1.447 -0.619 0 C-N-CA 120.751 -0.738 . . . . 0.0 112.425 178.989 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 110' ' ' ASN . . . . . 0.446 ' HA ' ' HB3' ' A' ' 64' ' ' ARG . 21.3 p-10 -161.2 147.5 14.56 Favored 'General case' 0 C--N 1.323 -0.566 0 CA-C-O 120.977 0.417 . . . . 0.0 110.532 175.024 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 111' ' ' ASN . . . . . 0.804 ' OD1' ' HA ' ' A' ' 64' ' ' ARG . 31.3 p-10 -95.2 -31.85 13.31 Favored 'General case' 0 C--N 1.323 -0.564 0 CA-C-N 115.748 -0.66 . . . . 0.0 109.505 175.872 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 112' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.25 1.109 0 CA-C-N 115.768 -0.651 . . . . 0.0 109.747 177.211 . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 19.5 m . . . . . 0 N--CA 1.477 0.884 0 CA-C-O 120.972 0.415 . . . . 0.0 110.717 . . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' A' A ' 7' ' ' MET . . . . . . . . . . . . . 21.9 ptp -123.88 8.81 8.75 Favored 'General case' 0 C--N 1.326 -0.443 0 CA-C-N 116.351 -0.386 . . . . 0.0 111.0 -178.896 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -71.46 -41.65 69.15 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-O 120.924 0.392 . . . . 0.0 110.666 -178.237 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 9' ' ' GLN . . . . . . . . . . . . . 12.5 pm0 -82.0 -15.5 53.49 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-N 116.076 -0.511 . . . . 0.0 110.193 179.968 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -77.6 -15.37 59.27 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 115.806 -0.634 . . . . 0.0 110.955 -177.982 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -69.03 131.35 44.9 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-N 116.112 -0.495 . . . . 0.0 110.054 177.349 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 52.1 tt0 -87.05 98.95 11.56 Favored 'General case' 0 C--N 1.32 -0.685 0 CA-C-N 116.346 -0.388 . . . . 0.0 110.065 -178.878 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 15.7 mm100 -113.82 99.17 7.49 Favored 'General case' 0 C--N 1.323 -0.544 0 CA-C-O 120.864 0.364 . . . . 0.0 110.2 179.393 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 14' ' ' LYS . . . . . 0.566 ' O ' ' HA ' ' A' ' 56' ' ' SER . 33.8 mmtp -110.47 147.15 34.67 Favored 'General case' 0 C--N 1.322 -0.619 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.612 -178.997 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 15' ' ' ASN . . . . . . . . . . . . . 52.6 t30 -84.33 109.64 17.98 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-N 115.819 -0.628 . . . . 0.0 110.052 -178.377 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 16' ' ' PHE . . . . . 0.546 ' O ' ' HA ' ' A' ' 54' ' ' ASN . 23.9 m-85 -99.73 130.14 45.92 Favored 'General case' 0 C--N 1.32 -0.699 0 CA-C-N 116.405 -0.361 . . . . 0.0 110.248 -178.249 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 13.5 m120 -124.26 89.93 3.17 Favored 'General case' 0 C--N 1.324 -0.537 0 N-CA-C 109.228 -0.656 . . . . 0.0 109.228 -179.928 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 18' ' ' ILE . . . . . 0.406 HG22 HD12 ' A' ' 66' ' ' LEU . 12.2 mm -118.58 113.36 41.56 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.6 0 CA-C-N 116.321 -0.399 . . . . 0.0 111.188 -174.634 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -78.31 161.77 26.98 Favored 'General case' 0 C--N 1.324 -0.528 0 N-CA-C 108.765 -0.828 . . . . 0.0 108.765 170.407 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -68.12 101.66 1.19 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 121.48 0.657 . . . . 0.0 110.465 -177.253 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 21' ' ' GLN . . . . . . . . . . . . . 71.2 mt-30 -106.92 172.51 3.79 Favored Pre-proline 0 C--N 1.32 -0.708 0 CA-C-N 114.851 -1.068 . . . . 0.0 110.092 176.237 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 22' ' ' PRO . . . . . . . . . . . . . 22.6 Cg_exo -66.17 143.71 72.36 Favored 'Trans proline' 0 N--CA 1.459 -0.516 0 C-N-CA 121.83 1.686 . . . . 0.0 109.808 164.459 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -49.19 -45.32 44.05 Favored 'General case' 0 C--N 1.327 -0.406 0 N-CA-C 112.657 0.614 . . . . 0.0 112.657 -169.708 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -60.36 -48.45 81.7 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-O 120.737 0.303 . . . . 0.0 110.53 -178.38 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 37.7 t -66.78 -33.58 75.93 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.761 178.953 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -54.96 -58.81 6.13 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 121.065 0.46 . . . . 0.0 111.386 -177.539 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 27' ' ' MET . . . . . 0.557 ' HB2' ' CG2' ' A' ' 38' ' ' VAL . 52.1 mtt -72.8 -25.14 61.04 Favored 'General case' 0 C--N 1.324 -0.504 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.214 179.835 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 28' ' ' LEU . . . . . 0.62 ' O ' ' HB3' ' A' ' 32' ' ' GLU . 41.5 tp -64.37 -29.03 70.11 Favored 'General case' 0 C--N 1.321 -0.64 0 N-CA-C 110.072 -0.344 . . . . 0.0 110.072 177.585 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 29' ' ' ARG . . . . . 0.47 ' HD3' ' OE2' ' A' ' 32' ' ' GLU . 14.6 mmt180 -90.68 -39.37 12.49 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.284 -0.416 . . . . 0.0 111.499 178.744 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 30' ' ' PHE . . . . . 0.451 ' HE1' ' CE1' ' A' ' 16' ' ' PHE . 7.2 t80 -69.28 -51.54 36.34 Favored 'General case' 0 C--N 1.322 -0.613 0 CA-C-O 121.452 0.644 . . . . 0.0 110.958 177.475 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -82.98 -16.98 45.1 Favored 'General case' 0 C--N 1.318 -0.792 0 CA-C-N 115.593 -0.731 . . . . 0.0 112.056 -170.623 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 32' ' ' GLU . . . . . 0.62 ' HB3' ' O ' ' A' ' 28' ' ' LEU . 11.0 pt-20 -58.91 -33.41 70.53 Favored 'General case' 0 N--CA 1.467 0.4 0 C-N-CA 120.447 -0.501 . . . . 0.0 110.51 176.971 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 33' ' ' GLN . . . . . . . . . . . . . 90.1 mt-30 -90.29 -24.87 20.78 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.832 -179.707 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -82.21 -27.65 32.42 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.301 -0.409 . . . . 0.0 111.474 179.384 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 101.49 36.85 3.67 Favored Glycine 0 N--CA 1.45 -0.395 0 C-N-CA 121.155 -0.545 . . . . 0.0 112.587 179.716 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 36' ' ' MET . . . . . . . . . . . . . 70.2 mtm -142.4 174.91 10.2 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-O 120.594 0.235 . . . . 0.0 110.666 -178.93 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 37' ' ' GLN . . . . . . . . . . . . . 9.0 tt0 -155.88 162.21 40.46 Favored 'General case' 0 C--N 1.329 -0.309 0 N-CA-C 109.325 -0.62 . . . . 0.0 109.325 178.312 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 38' ' ' VAL . . . . . 0.557 ' CG2' ' HB2' ' A' ' 27' ' ' MET . 11.0 t -76.26 116.34 19.19 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-O 120.714 0.292 . . . . 0.0 110.985 -174.658 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 39' ' ' PHE . . . . . . . . . . . . . 81.0 t80 -104.03 98.66 8.45 Favored 'General case' 0 C--N 1.324 -0.53 0 N-CA-C 108.624 -0.88 . . . . 0.0 108.624 173.577 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 40' ' ' PHE . . . . . . . . . . . . . 13.9 p90 -125.79 140.84 52.34 Favored 'General case' 0 C--N 1.32 -0.683 0 CA-C-N 116.007 -0.542 . . . . 0.0 111.18 -171.726 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 21.2 m-20 -114.98 -85.72 0.61 Allowed 'General case' 0 C--N 1.323 -0.586 0 CA-C-N 115.589 -0.732 . . . . 0.0 110.163 178.194 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 77.5 mm-40 -101.8 89.95 3.84 Favored 'General case' 0 C--N 1.323 -0.57 0 CA-C-O 121.084 0.469 . . . . 0.0 110.632 178.004 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 43' ' ' VAL . . . . . . . . . . . . . 30.2 m -132.84 -176.35 1.7 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.513 0 CA-C-N 115.736 -0.665 . . . . 0.0 110.103 179.218 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 34.4 ttmt -73.11 148.1 44.28 Favored 'General case' 0 C--N 1.321 -0.633 0 CA-C-O 121.099 0.476 . . . . 0.0 110.03 177.203 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 45' ' ' LEU . . . . . 0.451 HD22 ' H ' ' A' ' 45' ' ' LEU . 2.7 mm? -60.46 138.13 58.05 Favored 'General case' 0 C--N 1.325 -0.458 0 CA-C-N 115.3 -0.864 . . . . 0.0 110.558 -178.181 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 24.3 t70 -55.88 145.94 23.35 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-N 115.615 -0.721 . . . . 0.0 110.587 179.195 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 123.64 -17.04 7.84 Favored Glycine 0 N--CA 1.444 -0.827 0 N-CA-C 109.736 -1.346 . . . . 0.0 109.736 -168.138 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 48' ' ' MET . . . . . . . . . . . . . 12.9 tpt -56.71 122.03 11.16 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 114.622 -0.789 . . . . 0.0 109.724 170.857 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 28.5 mt-30 -67.7 131.46 45.62 Favored 'General case' 0 C--N 1.323 -0.56 0 CA-C-N 116.283 -0.417 . . . . 0.0 111.294 -178.197 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -82.96 143.89 30.36 Favored 'General case' 0 C--N 1.317 -0.814 0 N-CA-C 109.119 -0.697 . . . . 0.0 109.119 171.855 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -69.43 144.15 53.4 Favored 'General case' 0 C--N 1.322 -0.628 0 CA-C-N 116.402 -0.363 . . . . 0.0 110.499 -179.081 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -66.8 89.96 0.17 Allowed 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.613 178.755 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 50.0 tp -95.12 118.4 31.86 Favored 'General case' 0 C--N 1.323 -0.555 0 CA-C-N 115.573 -0.74 . . . . 0.0 110.817 -176.844 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 54' ' ' ASN . . . . . 0.546 ' HA ' ' O ' ' A' ' 16' ' ' PHE . 6.6 t30 -143.56 98.9 3.33 Favored 'General case' 0 C--N 1.322 -0.622 0 CA-C-N 115.964 -0.562 . . . . 0.0 109.617 176.452 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . 177.98 168.32 37.31 Favored Glycine 0 N--CA 1.447 -0.599 0 C-N-CA 120.846 -0.693 . . . . 0.0 112.054 -179.754 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 56' ' ' SER . . . . . 0.566 ' HA ' ' O ' ' A' ' 14' ' ' LYS . 44.2 m -101.12 112.89 25.48 Favored 'General case' 0 C--N 1.324 -0.543 0 CA-C-O 120.78 0.324 . . . . 0.0 110.559 177.928 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 57' ' ' MET . . . . . . . . . . . . . 21.8 ptp -154.82 -174.51 5.01 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.076 -0.511 . . . . 0.0 110.445 -178.926 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 58' ' ' SER . . . . . 0.506 ' HB2' ' OE1' ' A' ' 61' ' ' GLN . 16.4 m -87.79 176.67 7.28 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 116.703 -0.226 . . . . 0.0 111.493 -179.06 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 59' ' ' VAL . . . . . . . . . . . . . 46.8 t -64.37 -44.93 97.22 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 N-CA-C 110.195 -0.298 . . . . 0.0 110.195 -179.927 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 60' ' ' GLU . . . . . 0.465 ' O ' ' HG3' ' A' ' 64' ' ' ARG . 59.2 mm-40 -52.12 -62.75 1.44 Allowed 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 115.942 -0.572 . . . . 0.0 110.934 178.299 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 61' ' ' GLN . . . . . 0.506 ' OE1' ' HB2' ' A' ' 58' ' ' SER . 22.7 mp0 -55.76 -43.17 76.44 Favored 'General case' 0 C--O 1.234 0.286 0 CA-C-N 115.799 -0.637 . . . . 0.0 111.152 -178.623 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . -58.12 -58.31 15.24 Favored Glycine 0 N--CA 1.445 -0.745 0 C-N-CA 121.053 -0.594 . . . . 0.0 112.143 -179.197 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 63' ' ' LEU . . . . . 0.518 ' O ' HG13 ' A' ' 67' ' ' ILE . 4.5 mm? -57.85 -45.7 85.87 Favored 'General case' 0 C--N 1.327 -0.388 0 C-N-CA 122.329 0.252 . . . . 0.0 111.642 -176.509 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 64' ' ' ARG . . . . . 0.465 ' HG3' ' O ' ' A' ' 60' ' ' GLU . 94.8 mtt180 -52.28 -52.57 52.0 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-O 120.796 0.331 . . . . 0.0 111.346 -179.678 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 65' ' ' ARG . . . . . . . . . . . . . 89.4 mtt180 -79.67 -29.73 40.95 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 115.98 -0.555 . . . . 0.0 111.253 -175.518 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 66' ' ' LEU . . . . . 0.406 HD12 HG22 ' A' ' 18' ' ' ILE . 45.7 tp -69.61 -48.09 61.22 Favored 'General case' 0 C--N 1.323 -0.546 0 CA-C-N 115.633 -0.712 . . . . 0.0 112.067 -174.806 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 67' ' ' ILE . . . . . 0.518 HG13 ' O ' ' A' ' 63' ' ' LEU . 11.6 mt -75.7 -66.06 0.64 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.436 0 C-N-CA 120.429 -0.509 . . . . 0.0 110.884 -173.352 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . -116.83 -50.9 0.39 Allowed Glycine 0 N--CA 1.45 -0.403 0 C-N-CA 120.9 -0.667 . . . . 0.0 113.196 -178.634 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . 104.48 -0.7 43.01 Favored Glycine 0 N--CA 1.447 -0.627 0 N-CA-C 110.644 -0.982 . . . . 0.0 110.644 -167.02 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 70' ' ' ASN . . . . . . . . . . . . . 83.2 m-20 -100.88 159.34 29.8 Favored Pre-proline 0 C--N 1.328 -0.353 0 CA-C-N 115.361 -0.419 . . . . 0.0 109.895 177.601 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 71' ' ' PRO . . . . . . . . . . . . . 24.9 Cg_exo -64.97 124.2 12.73 Favored 'Trans proline' 0 C--N 1.345 0.366 0 C-N-CA 122.58 2.187 . . . . 0.0 111.13 171.884 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 72' ' ' VAL . . . . . 0.434 HG23 ' O ' ' A' ' 109' ' ' GLY . 1.0 OUTLIER -150.75 162.56 3.34 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.524 0 N-CA-C 109.425 -0.583 . . . . 0.0 109.425 -176.152 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -108.41 118.32 36.47 Favored 'General case' 0 N--CA 1.444 -0.761 0 C-N-CA 120.645 -0.422 . . . . 0.0 109.869 -177.897 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 74' ' ' PHE . . . . . . . . . . . . . 38.6 p90 -133.24 118.69 18.89 Favored 'General case' 0 C--N 1.317 -0.835 0 CA-C-O 121.494 0.664 . . . . 0.0 109.628 179.732 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 75' ' ' ARG . . . . . . . . . . . . . 75.0 ttt180 -97.09 115.55 27.7 Favored 'General case' 0 C--N 1.319 -0.748 0 CA-C-N 115.625 -0.716 . . . . 0.0 110.35 -175.622 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 76' ' ' LEU . . . . . . . . . . . . . 2.5 mm? -82.87 99.83 9.98 Favored 'General case' 0 C--N 1.324 -0.533 0 N-CA-C 109.048 -0.723 . . . . 0.0 109.048 177.945 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 77' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -88.18 132.36 39.84 Favored Pre-proline 0 N--CA 1.443 -0.809 0 CA-C-N 116.348 -0.387 . . . . 0.0 110.178 -177.623 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 78' ' ' PRO . . . . . . . . . . . . . 50.8 Cg_exo -56.51 -17.32 21.48 Favored 'Trans proline' 0 C--N 1.353 0.767 0 C-N-CA 123.754 2.969 . . . . 0.0 114.373 -173.71 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 79' ' ' GLN . . . . . . . . . . . . . 42.7 mt-30 -82.77 15.53 2.62 Favored 'General case' 0 C--N 1.325 -0.457 0 CA-C-O 120.978 0.418 . . . . 0.0 110.945 178.386 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . 78.02 39.69 23.09 Favored Glycine 0 N--CA 1.446 -0.654 0 C-N-CA 121.037 -0.601 . . . . 0.0 112.578 176.227 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 81' ' ' GLN . . . . . . . . . . . . . 27.6 mt-30 -131.74 119.12 20.88 Favored 'General case' 0 C--N 1.324 -0.522 0 CA-C-O 120.716 0.293 . . . . 0.0 110.994 -177.938 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 82' ' ' ILE . . . . . . . . . . . . . 56.9 mt -89.47 101.97 12.63 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 N-CA-C 109.503 -0.554 . . . . 0.0 109.503 175.501 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 83' ' ' VAL . . . . . . . . . . . . . 28.8 t -94.2 100.74 11.65 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.407 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.226 -177.988 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 84' ' ' LEU . . . . . 0.614 HD22 ' N ' ' A' ' 85' ' ' SER . 3.9 tt -94.72 136.83 34.57 Favored 'General case' 0 C--N 1.323 -0.56 0 N-CA-C 109.723 -0.473 . . . . 0.0 109.723 -178.567 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 85' ' ' SER . . . . . 0.614 ' N ' HD22 ' A' ' 84' ' ' LEU . 21.4 m -141.27 144.25 34.55 Favored 'General case' 0 N--CA 1.451 -0.381 0 CA-C-N 116.306 -0.407 . . . . 0.0 109.948 179.981 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 86' ' ' ARG . . . . . . . . . . . . . 64.6 ttt-85 -87.37 94.53 9.71 Favored 'General case' 0 C--N 1.323 -0.57 0 CA-C-O 120.949 0.404 . . . . 0.0 110.822 -178.898 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 87' ' ' LEU . . . . . . . . . . . . . 3.9 mm? -109.37 101.7 46.63 Favored Pre-proline 0 C--N 1.323 -0.573 0 CA-C-N 116.431 -0.349 . . . . 0.0 110.661 177.667 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 88' ' ' PRO . . . . . . . . . . . . . 57.1 Cg_endo -72.38 163.46 38.56 Favored 'Trans proline' 0 C--O 1.236 0.399 0 C-N-CA 122.63 2.22 . . . . 0.0 112.241 177.703 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 89' ' ' THR . . . . . . . . . . . . . 21.6 m -101.46 95.69 6.65 Favored 'General case' 0 C--N 1.325 -0.46 0 CA-C-N 116.242 -0.435 . . . . 0.0 111.396 -176.842 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 90' ' ' ALA . . . . . . . . . . . . . . . -79.94 108.91 13.89 Favored 'General case' 0 C--N 1.321 -0.665 0 N-CA-C 110.033 -0.358 . . . . 0.0 110.033 175.56 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 91' ' ' ASN . . . . . . . . . . . . . 2.9 p-10 -82.46 -17.59 44.71 Favored 'General case' 0 C--N 1.326 -0.438 0 CA-C-O 121.278 0.561 . . . . 0.0 110.012 178.86 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 92' ' ' GLY . . . . . . . . . . . . . . . -92.66 31.61 6.05 Favored Glycine 0 N--CA 1.447 -0.615 0 CA-C-N 115.584 -0.735 . . . . 0.0 111.633 175.714 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 93' ' ' ASP . . . . . 0.405 ' HB2' ' HB3' ' A' ' 96' ' ' ALA . 5.0 p-10 -58.51 -36.57 74.03 Favored 'General case' 0 C--N 1.333 -0.146 0 CA-C-O 120.85 0.357 . . . . 0.0 111.4 -177.096 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 94' ' ' GLY . . . . . . . . . . . . . . . 74.94 10.11 83.81 Favored Glycine 0 N--CA 1.45 -0.414 0 C-N-CA 121.242 -0.504 . . . . 0.0 113.643 173.202 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 95' ' ' GLY . . . . . . . . . . . . . . . 135.74 49.19 0.08 OUTLIER Glycine 0 N--CA 1.449 -0.462 0 C-N-CA 120.344 -0.931 . . . . 0.0 112.407 -179.1 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 96' ' ' ALA . . . . . 0.405 ' HB3' ' HB2' ' A' ' 93' ' ' ASP . . . -126.46 98.33 5.38 Favored 'General case' 0 C--N 1.32 -0.675 0 N-CA-C 109.689 -0.486 . . . . 0.0 109.689 176.295 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 97' ' ' LEU . . . . . . . . . . . . . 90.0 mt -74.42 -32.18 62.57 Favored 'General case' 0 C--N 1.325 -0.466 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.975 -173.098 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 98' ' ' ALA . . . . . . . . . . . . . . . -80.19 -23.84 40.7 Favored 'General case' 0 C--N 1.323 -0.546 0 CA-C-O 120.966 0.413 . . . . 0.0 110.493 178.312 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 99' ' ' LEU . . . . . . . . . . . . . 55.7 tp -82.54 -29.5 30.35 Favored 'General case' 0 C--N 1.325 -0.469 0 CA-C-N 116.024 -0.534 . . . . 0.0 110.096 176.709 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 100' ' ' ASP . . . . . . . . . . . . . 9.5 t70 -58.55 -29.05 66.06 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 115.515 -0.766 . . . . 0.0 110.904 177.344 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 4.4 m -62.94 -12.8 27.88 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-N 115.771 -0.65 . . . . 0.0 111.563 -179.223 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 102' ' ' LEU . . . . . . . . . . . . . 4.4 mm? -83.75 1.91 40.48 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.577 -0.283 . . . . 0.0 111.686 -177.682 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 103' ' ' THR . . . . . . . . . . . . . 13.6 t -79.84 -1.97 41.35 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 121.123 0.487 . . . . 0.0 110.282 177.295 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 104' ' ' VAL . . . . . . . . . . . . . 13.6 p -64.49 145.59 13.76 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.348 0 CA-C-N 115.57 -0.741 . . . . 0.0 109.762 174.689 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 105' ' ' LEU . . . . . 0.444 HD23 ' CZ ' ' A' ' 64' ' ' ARG . 83.5 mt 74.08 -40.74 0.46 Allowed 'General case' 0 N--CA 1.47 0.571 0 C-N-CA 123.278 0.631 . . . . 0.0 111.931 -179.842 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 106' ' ' GLY . . . . . . . . . . . . . . . 146.83 -130.45 3.63 Favored Glycine 0 N--CA 1.445 -0.719 0 N-CA-C 111.524 -0.63 . . . . 0.0 111.524 179.878 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 107' ' ' ALA . . . . . . . . . . . . . . . -89.86 109.71 20.69 Favored 'General case' 0 C--N 1.324 -0.539 0 CA-C-O 120.65 0.262 . . . . 0.0 110.455 177.823 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 108' ' ' GLY . . . . . . . . . . . . . . . -54.59 129.0 43.63 Favored Glycine 0 N--CA 1.45 -0.383 0 CA-C-N 115.775 -0.648 . . . . 0.0 113.167 -177.872 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 109' ' ' GLY . . . . . 0.434 ' O ' HG23 ' A' ' 72' ' ' VAL . . . -142.38 -149.13 5.11 Favored Glycine 0 N--CA 1.44 -1.071 0 N-CA-C 111.655 -0.578 . . . . 0.0 111.655 179.799 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 110' ' ' ASN . . . . . . . . . . . . . 48.3 t30 -129.28 142.93 50.7 Favored 'General case' 0 C--N 1.318 -0.775 0 N-CA-C 109.658 -0.497 . . . . 0.0 109.658 179.546 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 111' ' ' ASN . . . . . . . . . . . . . 73.0 m-20 -98.63 -3.3 36.43 Favored 'General case' 0 C--N 1.325 -0.499 0 CA-C-N 116.525 -0.307 . . . . 0.0 111.124 -179.536 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 112' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.249 1.053 0 CA-C-O 118.698 -0.668 . . . . 0.0 109.995 177.641 . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 37.6 t . . . . . 0 N--CA 1.477 0.885 0 CA-C-O 120.613 0.244 . . . . 0.0 110.495 . . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' A' A ' 7' ' ' MET . . . . . . . . . . . . . 1.8 pmm? -75.17 -19.85 59.64 Favored 'General case' 0 C--N 1.328 -0.327 0 N-CA-C 109.685 -0.487 . . . . 0.0 109.685 176.947 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -72.44 -46.6 54.29 Favored 'General case' 0 C--N 1.331 -0.215 0 CA-C-N 115.777 -0.647 . . . . 0.0 110.747 178.33 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 9' ' ' GLN . . . . . . . . . . . . . 75.3 mt-30 -76.69 -12.03 59.94 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 120.976 0.417 . . . . 0.0 110.831 179.41 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -103.9 12.44 34.36 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 115.991 -0.55 . . . . 0.0 110.622 178.219 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -83.34 86.82 6.99 Favored 'General case' 0 C--N 1.325 -0.495 0 CA-C-N 115.946 -0.57 . . . . 0.0 110.26 178.99 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 4.0 pt20 -72.07 154.36 41.16 Favored 'General case' 0 C--N 1.325 -0.492 0 CA-C-N 115.653 -0.703 . . . . 0.0 110.595 -178.756 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 13' ' ' GLN . . . . . 0.461 ' OE1' ' HA ' ' A' ' 57' ' ' MET . 44.6 mt-30 -121.86 138.75 54.27 Favored 'General case' 0 C--N 1.32 -0.705 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.418 -179.133 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 14' ' ' LYS . . . . . 0.479 ' HB2' ' CE2' ' A' ' 16' ' ' PHE . 34.8 mmtp -109.8 151.27 27.19 Favored 'General case' 0 C--N 1.323 -0.576 0 CA-C-N 116.237 -0.438 . . . . 0.0 109.949 -178.386 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 15' ' ' ASN . . . . . 0.413 ' HA ' ' HA ' ' A' ' 56' ' ' SER . 7.3 t30 -83.07 101.31 11.06 Favored 'General case' 0 C--N 1.324 -0.528 0 CA-C-O 120.844 0.354 . . . . 0.0 110.111 -179.947 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 16' ' ' PHE . . . . . 0.479 ' CE2' ' HB2' ' A' ' 14' ' ' LYS . 90.6 m-85 -100.27 129.7 46.3 Favored 'General case' 0 C--N 1.323 -0.57 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.924 -178.418 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 24.3 t-20 -131.32 95.51 3.79 Favored 'General case' 0 C--N 1.324 -0.514 0 CA-C-N 115.903 -0.59 . . . . 0.0 109.728 176.349 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 18' ' ' ILE . . . . . 0.45 ' CD1' ' HB2' ' A' ' 30' ' ' PHE . 11.9 mt -123.09 119.87 58.93 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.546 0 CA-C-N 116.091 -0.504 . . . . 0.0 110.577 -175.768 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -68.72 148.99 49.57 Favored 'General case' 0 C--N 1.325 -0.497 0 N-CA-C 108.931 -0.766 . . . . 0.0 108.931 173.005 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -64.05 104.21 0.69 Allowed 'General case' 0 C--N 1.326 -0.423 0 CA-C-O 121.273 0.559 . . . . 0.0 110.695 -176.45 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 21' ' ' GLN . . . . . . . . . . . . . 77.6 mt-30 -104.31 172.61 3.99 Favored Pre-proline 0 C--N 1.32 -0.682 0 CA-C-N 115.266 -0.879 . . . . 0.0 109.738 177.682 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 22' ' ' PRO . . . . . . . . . . . . . 52.7 Cg_exo -55.88 140.22 85.15 Favored 'Trans proline' 0 N--CA 1.462 -0.357 0 C-N-CA 121.629 1.553 . . . . 0.0 109.852 165.85 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -51.21 -50.37 59.21 Favored 'General case' 0 C--N 1.328 -0.357 0 N-CA-C 112.434 0.531 . . . . 0.0 112.434 -168.846 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 2.7 mp0 -63.32 -31.37 72.5 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-O 120.721 0.296 . . . . 0.0 111.506 -178.514 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 47.4 t -78.58 -35.44 45.81 Favored 'General case' 0 C--N 1.325 -0.462 0 CA-C-N 116.368 -0.378 . . . . 0.0 110.375 177.439 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -58.1 -53.99 52.01 Favored 'General case' 0 CA--C 1.514 -0.436 0 CA-C-O 121.49 0.662 . . . . 0.0 110.727 -179.582 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 27' ' ' MET . . . . . . . . . . . . . 19.9 mmt -74.79 -19.15 60.32 Favored 'General case' 0 C--N 1.317 -0.817 0 CA-C-N 115.207 -0.906 . . . . 0.0 110.97 -176.127 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 28' ' ' LEU . . . . . 0.463 ' O ' ' HB3' ' A' ' 32' ' ' GLU . 63.4 tp -64.06 -32.48 74.05 Favored 'General case' 0 C--N 1.322 -0.617 0 N-CA-C 109.059 -0.719 . . . . 0.0 109.059 172.55 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 29' ' ' ARG . . . . . 0.422 ' HA ' ' OE2' ' A' ' 32' ' ' GLU . 19.2 mmt180 -90.14 -38.03 13.79 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 115.667 -0.697 . . . . 0.0 111.4 -179.569 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 30' ' ' PHE . . . . . 0.45 ' HB2' ' CD1' ' A' ' 18' ' ' ILE . 17.9 t80 -71.69 -56.25 6.17 Favored 'General case' 0 C--N 1.323 -0.547 0 CA-C-O 121.293 0.568 . . . . 0.0 110.964 177.467 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -76.31 -17.42 59.44 Favored 'General case' 0 C--N 1.318 -0.79 0 CA-C-N 115.668 -0.696 . . . . 0.0 112.064 -170.422 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 32' ' ' GLU . . . . . 0.463 ' HB3' ' O ' ' A' ' 28' ' ' LEU . 14.5 pt-20 -64.0 -29.73 70.87 Favored 'General case' 0 N--CA 1.463 0.194 0 C-N-CA 119.995 -0.682 . . . . 0.0 109.843 174.84 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 33' ' ' GLN . . . . . . . . . . . . . 27.4 mt-30 -77.05 -30.8 55.77 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 115.93 -0.577 . . . . 0.0 110.165 176.359 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -88.31 -19.04 27.25 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-N 115.653 -0.703 . . . . 0.0 111.547 -176.636 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 95.46 31.65 7.39 Favored Glycine 0 CA--C 1.52 0.377 0 CA-C-N 116.298 -0.41 . . . . 0.0 112.806 178.688 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 36' ' ' MET . . . . . . . . . . . . . 71.3 mtm -144.64 175.73 9.94 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.631 0.253 . . . . 0.0 111.072 -176.666 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 37' ' ' GLN . . . . . . . . . . . . . 38.7 mt-30 -150.65 161.61 42.27 Favored 'General case' 0 C--N 1.329 -0.288 0 C-N-CA 123.328 0.651 . . . . 0.0 109.476 174.138 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 4.2 m -77.01 136.7 23.95 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.5 0 CA-C-O 121.073 0.463 . . . . 0.0 111.348 -177.244 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 39' ' ' PHE . . . . . . . . . . . . . 89.3 t80 -116.03 98.21 6.51 Favored 'General case' 0 C--N 1.323 -0.562 0 CA-C-N 115.797 -0.638 . . . . 0.0 109.85 178.071 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 40' ' ' PHE . . . . . . . . . . . . . 93.3 m-85 -145.67 135.81 23.8 Favored 'General case' 0 C--N 1.322 -0.588 0 CA-C-N 115.925 -0.58 . . . . 0.0 110.232 -178.864 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 8.8 m-20 -125.93 -69.11 0.79 Allowed 'General case' 0 C--N 1.322 -0.605 0 CA-C-N 116.08 -0.509 . . . . 0.0 110.444 177.933 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 38.2 mt-10 -98.52 87.39 3.82 Favored 'General case' 0 C--N 1.322 -0.603 0 CA-C-N 116.08 -0.509 . . . . 0.0 109.902 179.532 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 43' ' ' VAL . . . . . . . . . . . . . 19.3 m -146.13 -162.62 0.12 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.448 0 CA-C-N 115.394 -0.821 . . . . 0.0 109.916 -177.274 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 36.9 ttmt -54.51 137.83 42.0 Favored 'General case' 0 C--O 1.236 0.343 0 CA-C-O 121.228 0.537 . . . . 0.0 110.744 174.737 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 63.9 tp -56.61 136.68 54.59 Favored 'General case' 0 C--N 1.325 -0.467 0 CA-C-N 115.132 -0.94 . . . . 0.0 111.017 -178.522 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 2.2 m-20 -55.76 149.83 13.84 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 115.564 -0.744 . . . . 0.0 110.886 176.832 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 121.42 -20.75 8.29 Favored Glycine 0 N--CA 1.444 -0.793 0 N-CA-C 110.047 -1.221 . . . . 0.0 110.047 -169.672 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 48' ' ' MET . . . . . . . . . . . . . 16.9 tpt -58.38 127.54 32.64 Favored 'General case' 0 C--O 1.234 0.243 0 CA-C-N 114.695 -0.752 . . . . 0.0 110.456 176.739 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 30.2 mm-40 -93.21 148.55 21.93 Favored 'General case' 0 C--N 1.319 -0.747 0 CA-C-O 121.282 0.563 . . . . 0.0 110.845 -179.512 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -83.73 166.73 17.81 Favored 'General case' 0 C--N 1.317 -0.815 0 CA-C-N 115.312 -0.858 . . . . 0.0 109.422 174.884 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -83.63 157.42 22.26 Favored 'General case' 0 C--N 1.317 -0.815 0 CA-C-N 116.347 -0.388 . . . . 0.0 110.465 -179.443 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -65.43 110.12 2.55 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.029 -0.532 . . . . 0.0 109.79 178.022 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 2.8 tm? -108.5 117.28 33.77 Favored 'General case' 0 C--N 1.322 -0.599 0 CA-C-N 116.307 -0.406 . . . . 0.0 110.57 -173.895 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 54' ' ' ASN . . . . . . . . . . . . . 10.2 t30 -153.5 103.76 2.68 Favored 'General case' 0 C--N 1.324 -0.534 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.186 172.735 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . 178.52 158.28 20.82 Favored Glycine 0 N--CA 1.445 -0.753 0 C-N-CA 120.587 -0.816 . . . . 0.0 112.185 178.49 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 56' ' ' SER . . . . . 0.47 ' HA ' ' O ' ' A' ' 14' ' ' LYS . 29.0 t -91.25 108.41 19.86 Favored 'General case' 0 C--N 1.322 -0.622 0 N-CA-C 109.18 -0.674 . . . . 0.0 109.18 175.265 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 57' ' ' MET . . . . . 0.495 ' SD ' ' HA2' ' A' ' 62' ' ' GLY . 20.2 ptp -156.64 169.92 23.58 Favored 'General case' 0 C--N 1.324 -0.512 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.851 -173.977 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 4.8 m -88.01 177.51 6.92 Favored 'General case' 0 C--N 1.326 -0.452 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.059 177.612 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 59' ' ' VAL . . . . . . . . . . . . . 45.9 t -60.67 -39.98 83.3 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 N-CA-C 110.328 -0.249 . . . . 0.0 110.328 179.834 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 62.0 mm-40 -47.62 -61.41 1.95 Allowed 'General case' 0 N--CA 1.463 0.193 0 CA-C-N 115.98 -0.555 . . . . 0.0 111.575 177.1 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 61' ' ' GLN . . . . . 0.439 ' HB2' ' HB2' ' A' ' 57' ' ' MET . 68.5 mt-30 -72.23 -36.01 69.0 Favored 'General case' 0 C--N 1.325 -0.467 0 CA-C-N 115.851 -0.613 . . . . 0.0 110.971 -176.968 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 62' ' ' GLY . . . . . 0.505 ' O ' ' HB2' ' A' ' 66' ' ' LEU . . . -66.91 -54.04 23.8 Favored Glycine 0 C--O 1.222 -0.654 0 CA-C-N 115.86 -0.609 . . . . 0.0 112.958 -175.885 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 1.9 tm? -59.51 -44.74 93.04 Favored 'General case' 0 C--N 1.325 -0.476 0 CA-C-O 120.969 0.414 . . . . 0.0 110.817 -175.479 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 64' ' ' ARG . . . . . . . . . . . . . 54.0 mtp180 -58.29 -47.41 83.74 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 115.884 -0.598 . . . . 0.0 110.848 178.568 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 65' ' ' ARG . . . . . 0.485 ' HA ' ' HA2' ' A' ' 69' ' ' GLY . 73.7 ttt180 -73.36 -31.99 64.26 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 116.067 -0.515 . . . . 0.0 111.344 -178.512 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 66' ' ' LEU . . . . . 0.505 ' HB2' ' O ' ' A' ' 62' ' ' GLY . 1.2 tt -70.07 -44.86 68.27 Favored 'General case' 0 C--N 1.325 -0.498 0 CA-C-N 115.652 -0.704 . . . . 0.0 111.213 -174.694 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 67' ' ' ILE . . . . . 0.689 ' HB ' ' ND2' ' A' ' 111' ' ' ASN . 58.3 mt -75.18 -65.78 0.66 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.26 0 C-N-CA 120.048 -0.661 . . . . 0.0 111.044 -176.966 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . -116.84 -49.09 0.43 Allowed Glycine 0 N--CA 1.45 -0.409 0 C-N-CA 120.913 -0.66 . . . . 0.0 113.347 -179.098 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 69' ' ' GLY . . . . . 0.485 ' HA2' ' HA ' ' A' ' 65' ' ' ARG . . . 105.17 -6.12 42.54 Favored Glycine 0 N--CA 1.45 -0.384 0 N-CA-C 111.032 -0.827 . . . . 0.0 111.032 -168.869 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 70' ' ' ASN . . . . . . . . . . . . . 12.0 m120 -101.27 161.45 23.6 Favored Pre-proline 0 C--N 1.325 -0.472 0 CA-C-N 115.564 -0.318 . . . . 0.0 110.309 179.061 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 71' ' ' PRO . . . . . . . . . . . . . 37.8 Cg_exo -63.23 125.57 16.02 Favored 'Trans proline' 0 C--N 1.344 0.314 0 C-N-CA 122.755 2.304 . . . . 0.0 112.136 176.492 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 72' ' ' VAL . . . . . . . . . . . . . 4.3 p -152.17 161.14 3.09 Favored 'Isoleucine or valine' 0 N--CA 1.447 -0.594 0 N-CA-C 109.545 -0.539 . . . . 0.0 109.545 -176.629 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -102.83 138.85 39.16 Favored 'General case' 0 N--CA 1.439 -1.021 0 N-CA-C 109.102 -0.703 . . . . 0.0 109.102 175.956 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 74' ' ' PHE . . . . . . . . . . . . . 15.1 p90 -147.0 119.95 8.74 Favored 'General case' 0 C--N 1.309 -1.181 0 CA-C-O 121.503 0.668 . . . . 0.0 110.068 179.709 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 75' ' ' ARG . . . . . . . . . . . . . 55.8 mtm180 -91.5 112.81 24.87 Favored 'General case' 0 C--N 1.319 -0.753 0 CA-C-N 115.29 -0.868 . . . . 0.0 110.594 -175.549 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 76' ' ' LEU . . . . . . . . . . . . . 75.0 mt -91.58 99.74 12.6 Favored 'General case' 0 C--N 1.323 -0.562 0 CA-C-N 115.505 -0.77 . . . . 0.0 110.448 -177.739 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 77' ' ' GLN . . . . . . . . . . . . . 79.5 mt-30 -82.13 121.9 79.15 Favored Pre-proline 0 C--N 1.322 -0.624 0 CA-C-N 116.095 -0.502 . . . . 0.0 110.038 178.989 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 78' ' ' PRO . . . . . . . . . . . . . 31.5 Cg_exo -60.24 -12.07 18.51 Favored 'Trans proline' 0 C--N 1.347 0.475 0 C-N-CA 123.057 2.505 . . . . 0.0 112.092 178.496 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 79' ' ' GLN . . . . . . . . . . . . . 7.3 mm100 -69.22 -15.75 63.45 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.063 -0.517 . . . . 0.0 109.945 176.855 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . 109.66 31.35 3.22 Favored Glycine 0 N--CA 1.447 -0.628 0 C-N-CA 120.923 -0.656 . . . . 0.0 112.499 178.31 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 81' ' ' GLN . . . . . . . . . . . . . 26.4 mt-30 -134.64 126.44 29.15 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-O 121.038 0.447 . . . . 0.0 111.584 -176.95 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 82' ' ' ILE . . . . . . . . . . . . . 65.1 mt -100.69 116.29 43.87 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.517 0 CA-C-N 115.742 -0.663 . . . . 0.0 109.652 174.698 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 83' ' ' VAL . . . . . . . . . . . . . 41.4 t -115.91 119.76 62.82 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.535 0 CA-C-N 116.451 -0.341 . . . . 0.0 110.329 -179.389 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 84' ' ' LEU . . . . . . . . . . . . . 17.9 tp -78.63 153.61 30.93 Favored 'General case' 0 C--N 1.326 -0.455 0 N-CA-C 110.109 -0.33 . . . . 0.0 110.109 -179.231 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 85' ' ' SER . . . . . . . . . . . . . 32.7 m -154.02 172.71 17.04 Favored 'General case' 0 C--N 1.324 -0.515 0 N-CA-C 109.388 -0.597 . . . . 0.0 109.388 179.51 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 86' ' ' ARG . . . . . . . . . . . . . 38.3 ttt180 -122.84 123.32 40.74 Favored 'General case' 0 C--N 1.318 -0.798 0 N-CA-C 109.35 -0.611 . . . . 0.0 109.35 177.833 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 87' ' ' LEU . . . . . 0.401 ' HA ' ' HD3' ' A' ' 88' ' ' PRO . 1.7 tp -81.66 141.97 48.91 Favored Pre-proline 0 C--N 1.322 -0.599 0 CA-C-N 116.396 -0.366 . . . . 0.0 110.278 -176.709 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 88' ' ' PRO . . . . . 0.401 ' HD3' ' HA ' ' A' ' 87' ' ' LEU . 1.0 OUTLIER -85.13 140.61 7.77 Favored 'Trans proline' 0 N--CA 1.454 -0.849 0 C-N-CA 123.043 2.495 . . . . 0.0 111.579 -179.345 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 89' ' ' THR . . . . . . . . . . . . . 10.6 m -69.05 97.85 0.92 Allowed 'General case' 0 C--N 1.322 -0.598 0 CA-C-N 116.084 -0.507 . . . . 0.0 110.592 178.798 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 90' ' ' ALA . . . . . . . . . . . . . . . -62.8 127.25 30.38 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.175 178.036 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 91' ' ' ASN . . . . . 0.408 HD21 ' C ' ' A' ' 91' ' ' ASN . 0.2 OUTLIER -100.22 -41.74 6.97 Favored 'General case' 0 C--N 1.324 -0.504 0 CA-C-N 116.218 -0.447 . . . . 0.0 111.171 -171.764 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 92' ' ' GLY . . . . . . . . . . . . . . . -82.1 -61.27 2.03 Favored Glycine 0 N--CA 1.449 -0.479 0 C-N-CA 120.259 -0.972 . . . . 0.0 112.747 -175.71 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 7.5 p-10 -84.28 -30.18 25.83 Favored 'General case' 0 C--N 1.325 -0.458 0 CA-C-O 120.71 0.29 . . . . 0.0 110.711 -178.798 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 94' ' ' GLY . . . . . . . . . . . . . . . 95.01 -27.41 14.84 Favored Glycine 0 N--CA 1.452 -0.256 0 C-N-CA 120.773 -0.727 . . . . 0.0 112.715 177.97 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 95' ' ' GLY . . . . . . . . . . . . . . . 74.52 102.35 0.09 OUTLIER Glycine 0 N--CA 1.45 -0.432 0 C-N-CA 121.066 -0.587 . . . . 0.0 112.389 -179.634 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 96' ' ' ALA . . . . . 0.552 ' O ' ' HB3' ' A' ' 97' ' ' LEU . . . -72.63 76.53 1.09 Allowed 'General case' 0 C--N 1.331 -0.228 0 CA-C-O 121.136 0.493 . . . . 0.0 110.942 -178.881 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 97' ' ' LEU . . . . . 0.552 ' HB3' ' O ' ' A' ' 96' ' ' ALA . 2.4 pt? 157.02 -33.12 0.0 OUTLIER 'General case' 0 N--CA 1.468 0.442 0 C-N-CA 125.723 1.609 . . . . 0.0 107.426 178.088 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 98' ' ' ALA . . . . . . . . . . . . . . . -78.0 -35.76 49.64 Favored 'General case' 0 N--CA 1.444 -0.732 0 CA-C-N 114.637 -1.165 . . . . 0.0 109.294 175.752 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 99' ' ' LEU . . . . . . . . . . . . . 4.6 pp -65.89 -24.6 66.89 Favored 'General case' 0 C--N 1.325 -0.481 0 CA-C-N 115.827 -0.624 . . . . 0.0 111.996 -179.445 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 100' ' ' ASP . . . . . . . . . . . . . 1.2 p-10 -99.6 -13.04 19.58 Favored 'General case' 0 C--O 1.231 0.103 0 C-N-CA 119.991 -0.684 . . . . 0.0 110.947 -179.146 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 38.8 m -100.86 -50.85 3.71 Favored 'General case' 0 C--N 1.323 -0.544 0 CA-C-N 116.422 -0.353 . . . . 0.0 111.335 178.875 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 102' ' ' LEU . . . . . . . . . . . . . 74.6 mt -77.92 9.58 3.48 Favored 'General case' 0 C--N 1.325 -0.46 0 CA-C-N 116.516 -0.311 . . . . 0.0 111.727 -173.67 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 103' ' ' THR . . . . . . . . . . . . . 3.3 m -57.21 -36.19 70.56 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 121.211 0.529 . . . . 0.0 110.738 -179.952 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 104' ' ' VAL . . . . . . . . . . . . . 15.7 m -120.67 115.2 46.29 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 CA-C-N 115.821 -0.627 . . . . 0.0 110.682 176.63 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 105' ' ' LEU . . . . . . . . . . . . . 92.6 mt -128.24 179.02 5.84 Favored 'General case' 0 C--N 1.323 -0.561 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.673 -179.048 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 106' ' ' GLY . . . . . . . . . . . . . . . -149.86 176.17 28.66 Favored Glycine 0 N--CA 1.443 -0.835 0 N-CA-C 111.303 -0.719 . . . . 0.0 111.303 179.261 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 107' ' ' ALA . . . . . . . . . . . . . . . -84.56 127.73 34.21 Favored 'General case' 0 C--N 1.321 -0.671 0 CA-C-O 120.835 0.35 . . . . 0.0 110.966 -179.227 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 108' ' ' GLY . . . . . . . . . . . . . . . 85.85 -120.53 5.41 Favored Glycine 0 N--CA 1.446 -0.638 0 C-N-CA 120.889 -0.672 . . . . 0.0 112.63 177.367 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 109' ' ' GLY . . . . . . . . . . . . . . . -82.87 138.45 18.09 Favored Glycine 0 N--CA 1.449 -0.495 0 C-N-CA 120.881 -0.676 . . . . 0.0 112.989 -175.635 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 110' ' ' ASN . . . . . . . . . . . . . 12.1 m120 -97.09 -73.95 0.59 Allowed 'General case' 0 C--N 1.326 -0.45 0 CA-C-O 120.848 0.356 . . . . 0.0 110.273 176.081 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 111' ' ' ASN . . . . . 0.689 ' ND2' ' HB ' ' A' ' 67' ' ' ILE . 0.9 OUTLIER -91.81 -31.59 15.67 Favored 'General case' 0 C--N 1.324 -0.532 0 CA-C-N 116.343 -0.39 . . . . 0.0 110.347 179.038 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 112' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.246 0.87 0 CA-C-O 118.618 -0.706 . . . . 0.0 110.69 -178.276 . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 47.8 t . . . . . 0 N--CA 1.48 1.061 0 CA-C-O 120.346 0.117 . . . . 0.0 111.287 . . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' A' A ' 7' ' ' MET . . . . . . . . . . . . . 4.4 mpp? -56.25 -32.75 64.78 Favored 'General case' 0 N--CA 1.463 0.188 0 N-CA-C 112.156 0.428 . . . . 0.0 112.156 -173.351 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -73.24 -50.43 22.41 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-O 120.752 0.31 . . . . 0.0 111.509 -178.913 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 9' ' ' GLN . . . . . . . . . . . . . 75.7 mt-30 -76.2 -22.14 55.64 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.745 0.307 . . . . 0.0 111.734 -176.704 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -91.46 8.07 38.13 Favored 'General case' 0 C--N 1.324 -0.534 0 CA-C-N 116.66 -0.246 . . . . 0.0 110.674 178.625 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . 69.11 -79.23 0.04 OUTLIER 'General case' 0 N--CA 1.463 0.222 0 O-C-N 123.922 0.764 . . . . 0.0 111.551 179.883 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 26.2 pt20 -141.82 156.26 45.55 Favored 'General case' 0 C--N 1.323 -0.548 0 CA-C-O 121.036 0.446 . . . . 0.0 111.08 -179.08 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 27.5 mt-30 -109.46 135.26 50.77 Favored 'General case' 0 C--N 1.324 -0.542 0 CA-C-N 115.791 -0.641 . . . . 0.0 110.361 177.316 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 14' ' ' LYS . . . . . 0.422 ' HB2' ' CE2' ' A' ' 16' ' ' PHE . 35.4 mmtp -108.96 154.03 22.74 Favored 'General case' 0 C--N 1.32 -0.688 0 N-CA-C 109.551 -0.537 . . . . 0.0 109.551 178.598 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 15' ' ' ASN . . . . . . . . . . . . . 27.1 t-20 -86.56 113.76 22.73 Favored 'General case' 0 C--N 1.321 -0.657 0 CA-C-N 116.403 -0.362 . . . . 0.0 110.33 -179.163 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 16' ' ' PHE . . . . . 0.422 ' CE2' ' HB2' ' A' ' 14' ' ' LYS . 94.7 m-85 -113.23 152.49 29.71 Favored 'General case' 0 C--N 1.323 -0.544 0 CA-C-N 116.094 -0.503 . . . . 0.0 111.276 -177.468 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 43.7 t30 -149.96 90.58 1.7 Allowed 'General case' 0 C--N 1.324 -0.523 0 CA-C-N 115.38 -0.827 . . . . 0.0 109.073 176.646 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 18' ' ' ILE . . . . . 0.416 ' HB ' ' HB3' ' A' ' 53' ' ' LEU . 20.0 mm -112.49 123.36 68.12 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.513 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.449 -175.368 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -77.99 156.5 30.13 Favored 'General case' 0 C--N 1.323 -0.545 0 N-CA-C 108.688 -0.856 . . . . 0.0 108.688 172.175 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -69.77 102.09 1.84 Allowed 'General case' 0 C--N 1.328 -0.338 0 C-N-CA 120.003 -0.679 . . . . 0.0 110.332 -176.231 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 21' ' ' GLN . . . . . . . . . . . . . 76.7 mt-30 -104.93 165.17 13.71 Favored Pre-proline 0 C--N 1.322 -0.63 0 CA-C-N 114.936 -1.029 . . . . 0.0 109.641 176.565 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 22' ' ' PRO . . . . . . . . . . . . . 9.6 Cg_endo -55.59 137.73 78.79 Favored 'Trans proline' 0 N--CA 1.46 -0.465 0 C-N-CA 121.918 1.745 . . . . 0.0 109.597 165.952 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -49.76 -42.22 45.92 Favored 'General case' 0 C--N 1.327 -0.391 0 N-CA-C 112.591 0.589 . . . . 0.0 112.591 -167.508 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 24.5 mp0 -57.25 -53.1 61.9 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-O 121.017 0.436 . . . . 0.0 110.63 -179.245 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 25' ' ' SER . . . . . 0.417 ' O ' ' HG2' ' A' ' 29' ' ' ARG . 43.2 t -71.09 -32.33 68.93 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-N 115.867 -0.606 . . . . 0.0 110.859 -178.526 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -56.21 -59.23 5.24 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 121.24 0.543 . . . . 0.0 111.388 -177.386 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 27' ' ' MET . . . . . 0.612 ' HB2' ' CG1' ' A' ' 38' ' ' VAL . 9.8 mmt -82.46 -13.49 56.64 Favored 'General case' 0 CA--C 1.506 -0.734 0 CA-C-N 115.904 -0.589 . . . . 0.0 110.283 -176.604 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 28' ' ' LEU . . . . . 0.668 ' O ' ' HG3' ' A' ' 32' ' ' GLU . 65.4 tp -60.1 -53.42 58.0 Favored 'General case' 0 C--N 1.321 -0.672 0 N-CA-C 108.257 -1.016 . . . . 0.0 108.257 167.729 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 29' ' ' ARG . . . . . 0.417 ' HG2' ' O ' ' A' ' 25' ' ' SER . 28.5 mmt180 -63.94 -42.73 97.26 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 115.811 -0.631 . . . . 0.0 111.588 -178.46 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 30' ' ' PHE . . . . . 0.556 ' CE2' HD23 ' A' ' 63' ' ' LEU . 8.1 t80 -63.83 -54.38 35.99 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 121.035 0.445 . . . . 0.0 110.746 176.82 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 31' ' ' ALA . . . . . 0.43 ' HB3' ' HB2' ' A' ' 36' ' ' MET . . . -69.9 -19.37 63.41 Favored 'General case' 0 N--CA 1.448 -0.57 0 CA-C-N 116.039 -0.528 . . . . 0.0 111.184 -174.584 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 32' ' ' GLU . . . . . 0.668 ' HG3' ' O ' ' A' ' 28' ' ' LEU . 27.8 mt-10 -57.09 -34.38 68.26 Favored 'General case' 0 N--CA 1.468 0.442 0 C-N-CA 120.624 -0.43 . . . . 0.0 110.577 174.052 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 33' ' ' GLN . . . . . . . . . . . . . 15.6 mm100 -90.13 -14.01 34.51 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.935 -179.699 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -96.89 -16.12 20.87 Favored 'General case' 0 C--N 1.324 -0.518 0 CA-C-N 116.255 -0.43 . . . . 0.0 111.335 -179.165 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 94.0 22.53 25.18 Favored Glycine 0 N--CA 1.451 -0.309 0 C-N-CA 121.113 -0.565 . . . . 0.0 112.364 179.557 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 36' ' ' MET . . . . . 0.43 ' HB2' ' HB3' ' A' ' 31' ' ' ALA . 1.1 mtp -130.11 175.46 8.88 Favored 'General case' 0 C--N 1.325 -0.5 0 CA-C-O 120.616 0.246 . . . . 0.0 110.606 -175.825 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 37' ' ' GLN . . . . . 0.45 ' O ' ' HA ' ' A' ' 81' ' ' GLN . 29.4 tt0 -147.92 155.57 41.73 Favored 'General case' 0 C--N 1.326 -0.433 0 N-CA-C 109.591 -0.522 . . . . 0.0 109.591 176.553 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 38' ' ' VAL . . . . . 0.612 ' CG1' ' HB2' ' A' ' 27' ' ' MET . 22.9 m -78.09 144.09 11.81 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.443 0 CA-C-O 120.937 0.398 . . . . 0.0 110.745 178.281 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 39' ' ' PHE . . . . . 0.51 ' O ' HG11 ' A' ' 83' ' ' VAL . 68.7 t80 -127.12 120.59 29.23 Favored 'General case' 0 C--N 1.319 -0.742 0 CA-C-N 116.097 -0.501 . . . . 0.0 109.962 177.269 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 40' ' ' PHE . . . . . . . . . . . . . 64.7 m-85 -124.94 129.08 49.65 Favored 'General case' 0 C--N 1.316 -0.849 0 N-CA-C 109.165 -0.68 . . . . 0.0 109.165 173.637 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 7.5 p-10 -83.79 -171.64 3.71 Favored 'General case' 0 C--N 1.321 -0.661 0 N-CA-C 108.961 -0.755 . . . . 0.0 108.961 175.806 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 42.7 mt-10 -73.3 87.3 1.49 Allowed 'General case' 0 C--N 1.321 -0.643 0 CA-C-O 121.303 0.573 . . . . 0.0 110.71 -177.059 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 43' ' ' VAL . . . . . . . . . . . . . 15.4 m -123.73 152.78 29.23 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.444 0 CA-C-N 115.393 -0.821 . . . . 0.0 110.904 -177.749 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 39.2 ttpt -104.55 91.63 3.96 Favored 'General case' 0 C--N 1.321 -0.646 0 CA-C-N 116.049 -0.523 . . . . 0.0 110.403 179.831 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 45' ' ' LEU . . . . . 0.526 ' O ' HD13 ' A' ' 45' ' ' LEU . 1.1 pp -156.61 125.48 5.93 Favored 'General case' 0 C--N 1.324 -0.513 0 CA-C-O 121.286 0.565 . . . . 0.0 110.633 177.568 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 4.6 p-10 -131.21 162.98 28.75 Favored 'General case' 0 C--N 1.322 -0.592 0 CA-C-N 115.89 -0.596 . . . . 0.0 110.027 -179.809 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 86.36 13.98 67.1 Favored Glycine 0 N--CA 1.449 -0.438 0 C-N-CA 120.497 -0.859 . . . . 0.0 111.526 -179.695 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 48' ' ' MET . . . . . . . . . . . . . 25.4 mmt -88.48 118.71 28.31 Favored 'General case' 0 N--CA 1.448 -0.562 0 N-CA-C 109.198 -0.668 . . . . 0.0 109.198 177.661 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 18.5 pt20 -138.78 166.33 24.7 Favored 'General case' 0 C--N 1.318 -0.773 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.479 -176.786 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -89.52 163.29 15.28 Favored 'General case' 0 C--N 1.32 -0.679 0 CA-C-N 115.751 -0.658 . . . . 0.0 110.357 179.801 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -95.95 174.03 7.14 Favored 'General case' 0 C--N 1.322 -0.596 0 CA-C-N 116.02 -0.536 . . . . 0.0 110.054 176.117 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -70.45 109.02 4.55 Favored 'General case' 0 C--N 1.325 -0.476 0 CA-C-O 121.017 0.437 . . . . 0.0 110.696 -179.263 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 53' ' ' LEU . . . . . 0.416 ' HB3' ' HB ' ' A' ' 18' ' ' ILE . 2.3 tm? -108.04 118.15 35.99 Favored 'General case' 0 C--N 1.322 -0.617 0 CA-C-N 115.873 -0.603 . . . . 0.0 109.604 -177.868 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 54' ' ' ASN . . . . . . . . . . . . . 56.3 t30 -152.78 98.53 2.35 Favored 'General case' 0 C--N 1.322 -0.6 0 CA-C-O 120.83 0.348 . . . . 0.0 110.261 176.461 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . 177.56 173.71 43.29 Favored Glycine 0 N--CA 1.449 -0.458 0 C-N-CA 120.829 -0.7 . . . . 0.0 112.427 178.73 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 20.9 m -99.19 106.4 18.57 Favored 'General case' 0 C--N 1.323 -0.577 0 N-CA-C 109.356 -0.609 . . . . 0.0 109.356 174.455 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 57' ' ' MET . . . . . 0.404 ' HB2' ' HB2' ' A' ' 61' ' ' GLN . 23.0 ptp -150.72 174.89 12.51 Favored 'General case' 0 C--N 1.323 -0.546 0 CA-C-N 116.351 -0.386 . . . . 0.0 110.633 -173.953 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 14.8 m -100.89 177.96 4.82 Favored 'General case' 0 C--N 1.323 -0.568 0 CA-C-N 116.363 -0.381 . . . . 0.0 110.764 -177.703 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 59' ' ' VAL . . . . . . . . . . . . . 11.3 p -52.76 -45.46 49.57 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.267 0 O-C-N 123.279 0.362 . . . . 0.0 111.951 -175.777 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 60' ' ' GLU . . . . . 0.687 ' O ' ' HG3' ' A' ' 64' ' ' ARG . 19.8 mt-10 -56.09 -65.31 0.62 Allowed 'General case' 0 C--N 1.325 -0.465 0 CA-C-N 116.507 -0.315 . . . . 0.0 111.145 179.393 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 61' ' ' GLN . . . . . 0.404 ' HB2' ' HB2' ' A' ' 57' ' ' MET . 25.3 mp0 -55.87 -36.96 68.16 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.967 -176.46 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . -60.16 -62.27 6.23 Favored Glycine 0 N--CA 1.446 -0.695 0 CA-C-N 115.835 -0.62 . . . . 0.0 112.22 177.967 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 63' ' ' LEU . . . . . 0.556 HD23 ' CE2' ' A' ' 30' ' ' PHE . 4.3 mm? -65.37 -22.21 66.78 Favored 'General case' 0 C--O 1.236 0.371 0 N-CA-C 111.637 0.236 . . . . 0.0 111.637 -176.168 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 64' ' ' ARG . . . . . 0.687 ' HG3' ' O ' ' A' ' 60' ' ' GLU . 99.2 mtt180 -63.17 -51.24 67.19 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.95 0.405 . . . . 0.0 110.487 176.373 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 65' ' ' ARG . . . . . . . . . . . . . 19.3 ttm180 -81.0 -28.75 35.36 Favored 'General case' 0 C--N 1.323 -0.56 0 CA-C-N 115.842 -0.617 . . . . 0.0 110.306 -178.371 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 66' ' ' LEU . . . . . 0.468 ' HB3' ' CE ' ' A' ' 27' ' ' MET . 10.7 mt -70.68 -50.06 40.58 Favored 'General case' 0 C--N 1.323 -0.566 0 CA-C-N 115.263 -0.881 . . . . 0.0 112.819 -176.655 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 67' ' ' ILE . . . . . 0.479 ' HB ' ' ND2' ' A' ' 111' ' ' ASN . 58.1 mt -88.73 -64.11 1.2 Allowed 'Isoleucine or valine' 0 C--N 1.331 -0.232 0 N-CA-C 113.097 0.777 . . . . 0.0 113.097 -170.168 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . -114.2 -62.69 0.41 Allowed Glycine 0 N--CA 1.448 -0.519 0 C-N-CA 119.089 -1.529 . . . . 0.0 114.614 -170.886 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . 87.58 -21.96 19.39 Favored Glycine 0 CA--C 1.52 0.371 0 N-CA-C 110.401 -1.079 . . . . 0.0 110.401 -167.353 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 70' ' ' ASN . . . . . . . . . . . . . 26.9 p-10 -101.57 168.96 8.32 Favored Pre-proline 0 C--N 1.327 -0.39 0 C-N-CA 123.32 0.648 . . . . 0.0 109.47 176.781 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 71' ' ' PRO . . . . . . . . . . . . . 27.6 Cg_exo -63.35 97.87 0.21 Allowed 'Trans proline' 0 C--N 1.351 0.683 0 C-N-CA 122.341 2.027 . . . . 0.0 112.876 -179.343 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 72' ' ' VAL . . . . . . . . . . . . . 43.6 t -143.8 159.87 16.3 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.577 0 N-CA-C 107.515 -1.291 . . . . 0.0 107.515 176.875 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 73' ' ' ALA . . . . . 0.41 ' HA ' ' O ' ' A' ' 109' ' ' GLY . . . -117.19 132.23 56.69 Favored 'General case' 0 C--N 1.319 -0.719 0 C-N-CA 120.646 -0.421 . . . . 0.0 111.01 178.809 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 74' ' ' PHE . . . . . . . . . . . . . 23.0 p90 -106.18 126.85 52.72 Favored 'General case' 0 C--N 1.32 -0.715 0 CA-C-O 121.446 0.641 . . . . 0.0 110.238 175.481 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 75' ' ' ARG . . . . . . . . . . . . . 20.4 tpp180 -90.17 111.03 22.04 Favored 'General case' 0 C--N 1.319 -0.721 0 CA-C-N 115.183 -0.917 . . . . 0.0 110.347 -177.837 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 76' ' ' LEU . . . . . . . . . . . . . 87.9 mt -92.66 98.92 11.73 Favored 'General case' 0 C--N 1.319 -0.72 0 N-CA-C 109.461 -0.57 . . . . 0.0 109.461 175.872 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 77' ' ' GLN . . . . . 0.402 ' HA ' ' HD3' ' A' ' 78' ' ' PRO . 79.6 mt-30 -85.39 127.92 61.57 Favored Pre-proline 0 C--N 1.321 -0.672 0 CA-C-N 116.072 -0.513 . . . . 0.0 110.449 -178.954 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 78' ' ' PRO . . . . . 0.402 ' HD3' ' HA ' ' A' ' 77' ' ' GLN . 32.4 Cg_exo -58.76 -15.94 28.77 Favored 'Trans proline' 0 C--N 1.348 0.534 0 C-N-CA 123.249 2.633 . . . . 0.0 112.634 178.344 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 79' ' ' GLN . . . . . . . . . . . . . 93.3 mt-30 -78.47 -4.34 47.99 Favored 'General case' 0 C--O 1.234 0.288 0 CA-C-O 121.06 0.457 . . . . 0.0 110.701 177.073 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . 91.26 44.32 4.4 Favored Glycine 0 N--CA 1.444 -0.788 0 C-N-CA 120.967 -0.635 . . . . 0.0 112.737 177.887 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 81' ' ' GLN . . . . . 0.45 ' HA ' ' O ' ' A' ' 37' ' ' GLN . 76.4 mt-30 -132.63 140.7 48.32 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-O 120.698 0.285 . . . . 0.0 110.918 178.332 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 82' ' ' ILE . . . . . . . . . . . . . 43.6 mt -118.62 115.28 47.61 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.394 0 CA-C-N 115.886 -0.597 . . . . 0.0 109.864 175.688 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 83' ' ' VAL . . . . . 0.51 HG11 ' O ' ' A' ' 39' ' ' PHE . 26.9 m -130.92 165.59 30.9 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.387 0 N-CA-C 109.639 -0.504 . . . . 0.0 109.639 177.734 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 84' ' ' LEU . . . . . . . . . . . . . 11.1 mp -104.61 137.97 41.64 Favored 'General case' 0 C--N 1.324 -0.527 0 CA-C-O 121.108 0.48 . . . . 0.0 111.404 -178.273 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 85' ' ' SER . . . . . . . . . . . . . 31.9 m -126.12 152.01 46.49 Favored 'General case' 0 C--N 1.32 -0.699 0 CA-C-N 115.648 -0.705 . . . . 0.0 109.863 179.121 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 86' ' ' ARG . . . . . . . . . . . . . 13.3 ptm180 -101.44 83.35 2.44 Favored 'General case' 0 C--N 1.325 -0.49 0 CA-C-O 121.425 0.631 . . . . 0.0 111.466 -179.007 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 87' ' ' LEU . . . . . . . . . . . . . 4.4 mm? -91.13 152.53 44.18 Favored Pre-proline 0 C--N 1.323 -0.586 0 N-CA-C 109.736 -0.468 . . . . 0.0 109.736 175.71 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 88' ' ' PRO . . . . . . . . . . . . . 16.6 Cg_exo -69.3 -146.31 0.02 OUTLIER 'Trans proline' 0 CA--C 1.533 0.453 0 C-N-CA 122.927 2.418 . . . . 0.0 112.191 177.357 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 89' ' ' THR . . . . . . . . . . . . . 90.6 m -57.42 111.17 1.02 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.956 0.407 . . . . 0.0 110.215 173.891 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 90' ' ' ALA . . . . . . . . . . . . . . . -94.8 -179.21 4.78 Favored 'General case' 0 C--N 1.323 -0.559 0 CA-C-N 115.952 -0.567 . . . . 0.0 111.043 -176.317 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 91' ' ' ASN . . . . . . . . . . . . . 8.1 t30 -60.58 -33.36 72.6 Favored 'General case' 0 C--N 1.325 -0.49 0 CA-C-O 121.041 0.448 . . . . 0.0 110.733 -178.962 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 92' ' ' GLY . . . . . . . . . . . . . . . -95.76 19.77 52.85 Favored Glycine 0 N--CA 1.448 -0.547 0 C-N-CA 120.817 -0.706 . . . . 0.0 113.029 -177.31 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -92.28 18.41 8.33 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-O 121.027 0.441 . . . . 0.0 110.328 176.526 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 94' ' ' GLY . . . . . . . . . . . . . . . 95.41 -24.52 28.78 Favored Glycine 0 N--CA 1.449 -0.452 0 C-N-CA 120.936 -0.649 . . . . 0.0 112.296 -179.207 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 95' ' ' GLY . . . . . . . . . . . . . . . -117.4 138.09 13.86 Favored Glycine 0 N--CA 1.447 -0.615 0 C-N-CA 120.903 -0.665 . . . . 0.0 112.109 179.982 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 96' ' ' ALA . . . . . . . . . . . . . . . -77.45 79.54 3.95 Favored 'General case' 0 C--N 1.325 -0.488 0 CA-C-O 121.09 0.471 . . . . 0.0 110.886 179.129 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 97' ' ' LEU . . . . . . . . . . . . . 65.3 mt -108.43 30.56 6.33 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-O 121.136 0.493 . . . . 0.0 110.529 177.437 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 98' ' ' ALA . . . . . . . . . . . . . . . -63.08 -44.77 94.83 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 115.466 -0.788 . . . . 0.0 111.121 -178.559 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 99' ' ' LEU . . . . . 0.509 ' O ' ' HB ' ' A' ' 103' ' ' THR . 66.7 mt -96.49 1.81 51.86 Favored 'General case' 0 C--N 1.321 -0.662 0 CA-C-O 121.097 0.475 . . . . 0.0 110.699 -179.812 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 100' ' ' ASP . . . . . . . . . . . . . 10.0 t70 -98.24 -70.17 0.73 Allowed 'General case' 0 C--N 1.323 -0.55 0 CA-C-N 115.939 -0.573 . . . . 0.0 110.747 -179.765 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 21.0 m -92.32 -27.31 17.65 Favored 'General case' 0 C--N 1.325 -0.495 0 CA-C-O 120.998 0.428 . . . . 0.0 110.803 -176.755 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 102' ' ' LEU . . . . . . . . . . . . . 86.5 mt -96.45 9.82 40.14 Favored 'General case' 0 C--N 1.324 -0.522 0 CA-C-N 116.048 -0.524 . . . . 0.0 111.09 -179.404 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 103' ' ' THR . . . . . 0.509 ' HB ' ' O ' ' A' ' 99' ' ' LEU . 12.0 t -63.47 -17.9 63.21 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-O 120.851 0.357 . . . . 0.0 111.259 -179.806 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 104' ' ' VAL . . . . . . . . . . . . . 29.4 m -71.13 155.97 7.3 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.437 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.042 176.323 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 105' ' ' LEU . . . . . . . . . . . . . 3.9 mm? -77.16 55.97 1.23 Allowed 'General case' 0 C--N 1.325 -0.468 0 CA-C-O 121.437 0.636 . . . . 0.0 110.668 -179.622 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 106' ' ' GLY . . . . . . . . . . . . . . . -153.01 22.65 0.79 Allowed Glycine 0 N--CA 1.444 -0.808 0 N-CA-C 110.632 -0.987 . . . . 0.0 110.632 177.987 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 107' ' ' ALA . . . . . . . . . . . . . . . -76.11 127.23 32.51 Favored 'General case' 0 C--N 1.324 -0.504 0 CA-C-O 120.829 0.347 . . . . 0.0 110.82 -177.518 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 108' ' ' GLY . . . . . . . . . . . . . . . -129.77 174.99 19.27 Favored Glycine 0 N--CA 1.446 -0.685 0 C-N-CA 120.866 -0.683 . . . . 0.0 111.397 178.806 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 109' ' ' GLY . . . . . 0.41 ' O ' ' HA ' ' A' ' 73' ' ' ALA . . . -75.46 144.76 32.14 Favored Glycine 0 N--CA 1.446 -0.683 0 C-N-CA 120.434 -0.888 . . . . 0.0 111.346 178.094 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 110' ' ' ASN . . . . . 0.62 ' O ' ' HG2' ' A' ' 64' ' ' ARG . 5.4 p-10 -90.36 140.08 30.05 Favored 'General case' 0 C--N 1.32 -0.7 0 N-CA-C 109.923 -0.399 . . . . 0.0 109.923 179.847 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 111' ' ' ASN . . . . . 0.528 ' HA ' ' HA ' ' A' ' 64' ' ' ARG . 20.3 m120 -85.83 49.06 1.7 Allowed 'General case' 0 C--N 1.327 -0.405 0 CA-C-O 120.67 0.271 . . . . 0.0 111.474 -177.782 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 112' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.248 0.984 0 CA-C-O 118.257 -0.878 . . . . 0.0 110.624 179.837 . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 20.3 t . . . . . 0 N--CA 1.477 0.922 0 N-CA-C 109.862 -0.422 . . . . 0.0 109.862 . . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' A' A ' 7' ' ' MET . . . . . . . . . . . . . 39.3 ttm -127.48 70.09 1.31 Allowed 'General case' 0 C--N 1.326 -0.429 0 CA-C-O 121.272 0.558 . . . . 0.0 109.745 -177.689 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -87.9 -24.14 23.72 Favored 'General case' 0 C--N 1.325 -0.487 0 CA-C-N 115.919 -0.582 . . . . 0.0 111.418 -175.022 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 9' ' ' GLN . . . . . . . . . . . . . 14.1 mm100 -81.13 11.99 3.77 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.334 -0.393 . . . . 0.0 111.442 -176.621 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -98.73 19.93 13.92 Favored 'General case' 0 C--N 1.325 -0.467 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.943 179.259 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . 58.51 51.5 7.98 Favored 'General case' 0 N--CA 1.462 0.126 0 CA-C-N 115.62 -0.718 . . . . 0.0 111.053 179.965 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 22.8 tp60 -66.58 108.06 2.31 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 115.848 -0.614 . . . . 0.0 110.614 -179.977 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 70.7 mt-30 -121.88 135.32 54.88 Favored 'General case' 0 C--N 1.324 -0.527 0 CA-C-N 116.378 -0.374 . . . . 0.0 110.283 177.489 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 14' ' ' LYS . . . . . 0.407 ' O ' ' HA ' ' A' ' 56' ' ' SER . 70.9 mmtt -132.24 158.17 42.46 Favored 'General case' 0 C--N 1.321 -0.649 0 CA-C-N 116.083 -0.508 . . . . 0.0 110.555 -179.639 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 15' ' ' ASN . . . . . . . . . . . . . 22.4 t-20 -83.87 113.63 21.08 Favored 'General case' 0 C--N 1.324 -0.542 0 CA-C-N 115.76 -0.655 . . . . 0.0 109.816 176.497 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 16' ' ' PHE . . . . . 0.478 ' CE1' ' HE1' ' A' ' 30' ' ' PHE . 18.7 m-85 -99.57 135.11 41.48 Favored 'General case' 0 C--N 1.322 -0.614 0 CA-C-N 116.278 -0.419 . . . . 0.0 110.599 -177.163 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 16.4 m120 -127.48 88.63 2.82 Favored 'General case' 0 C--N 1.325 -0.489 0 N-CA-C 108.726 -0.842 . . . . 0.0 108.726 176.387 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 18' ' ' ILE . . . . . 0.408 HG22 HD12 ' A' ' 66' ' ' LEU . 15.5 mm -120.24 107.46 20.93 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.544 0 C-N-CA 120.933 -0.307 . . . . 0.0 111.069 -177.375 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -75.14 161.41 29.42 Favored 'General case' 0 C--N 1.326 -0.451 0 N-CA-C 108.557 -0.905 . . . . 0.0 108.557 168.837 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -69.55 102.2 1.78 Allowed 'General case' 0 C--N 1.328 -0.364 0 CA-C-O 121.478 0.656 . . . . 0.0 110.683 -175.878 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 21' ' ' GLN . . . . . . . . . . . . . 68.9 mt-30 -106.53 174.49 2.54 Favored Pre-proline 0 C--N 1.321 -0.667 0 CA-C-N 114.907 -1.042 . . . . 0.0 110.125 177.545 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 22' ' ' PRO . . . . . . . . . . . . . 21.9 Cg_exo -66.69 144.78 73.31 Favored 'Trans proline' 0 N--CA 1.462 -0.358 0 C-N-CA 121.967 1.778 . . . . 0.0 109.894 164.692 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -52.44 -45.69 66.09 Favored 'General case' 0 C--N 1.327 -0.386 0 N-CA-C 112.733 0.642 . . . . 0.0 112.733 -167.994 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 24' ' ' GLN . . . . . 0.731 ' O ' ' HG ' ' A' ' 28' ' ' LEU . 43.9 mt-30 -55.69 -63.93 1.01 Allowed 'General case' 0 C--N 1.332 -0.172 0 C-N-CA 120.506 -0.478 . . . . 0.0 110.32 177.52 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 70.4 m -56.37 -32.16 64.5 Favored 'General case' 0 C--O 1.232 0.179 0 CA-C-N 116.28 -0.418 . . . . 0.0 111.829 -178.804 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -55.85 -54.19 47.56 Favored 'General case' 0 CA--C 1.517 -0.31 0 CA-C-O 121.475 0.655 . . . . 0.0 110.498 178.511 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 27' ' ' MET . . . . . 0.553 ' CB ' ' HB ' ' A' ' 38' ' ' VAL . 21.5 mmt -79.07 -23.03 44.47 Favored 'General case' 0 C--N 1.319 -0.738 0 CA-C-N 115.314 -0.857 . . . . 0.0 110.686 -177.67 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 28' ' ' LEU . . . . . 0.731 ' HG ' ' O ' ' A' ' 24' ' ' GLN . 79.5 mt -64.83 -32.28 73.9 Favored 'General case' 0 C--N 1.324 -0.53 0 C-N-CA 120.302 -0.559 . . . . 0.0 109.555 175.025 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 19.3 mmm180 -84.72 -41.49 16.17 Favored 'General case' 0 C--N 1.332 -0.176 0 CA-C-N 116.075 -0.511 . . . . 0.0 111.37 178.266 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 30' ' ' PHE . . . . . 0.478 ' HE1' ' CE1' ' A' ' 16' ' ' PHE . 22.0 t80 -71.52 -56.41 5.95 Favored 'General case' 0 C--N 1.322 -0.591 0 CA-C-O 121.086 0.47 . . . . 0.0 111.196 179.925 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 31' ' ' ALA . . . . . 0.404 ' HB3' ' HB2' ' A' ' 36' ' ' MET . . . -68.9 -26.99 65.39 Favored 'General case' 0 N--CA 1.446 -0.652 0 CA-C-N 116.036 -0.529 . . . . 0.0 111.631 -172.208 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 9.4 pt-20 -63.12 -29.82 71.1 Favored 'General case' 0 N--CA 1.465 0.324 0 C-N-CA 120.086 -0.645 . . . . 0.0 110.15 178.412 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 33' ' ' GLN . . . . . . . . . . . . . 15.3 mm100 -78.97 -17.32 55.64 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 115.848 -0.615 . . . . 0.0 110.198 178.135 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -104.66 4.81 33.04 Favored 'General case' 0 C--N 1.325 -0.474 0 CA-C-N 115.69 -0.686 . . . . 0.0 111.285 -179.991 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 74.52 32.61 57.44 Favored Glycine 0 C--N 1.332 0.327 0 C-N-CA 121.304 -0.474 . . . . 0.0 112.754 178.961 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 36' ' ' MET . . . . . 0.404 ' HB2' ' HB3' ' A' ' 31' ' ' ALA . 70.9 mtp -140.57 176.05 9.1 Favored 'General case' 0 C--N 1.324 -0.526 0 CA-C-O 120.583 0.23 . . . . 0.0 110.504 -176.879 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 37' ' ' GLN . . . . . 0.501 ' O ' ' HA ' ' A' ' 81' ' ' GLN . 23.7 tt0 -146.35 149.87 34.62 Favored 'General case' 0 C--N 1.324 -0.506 0 N-CA-C 108.976 -0.75 . . . . 0.0 108.976 173.124 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 38' ' ' VAL . . . . . 0.553 ' HB ' ' CB ' ' A' ' 27' ' ' MET . 12.4 p -78.62 144.63 10.85 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 CA-C-O 120.777 0.322 . . . . 0.0 110.616 -179.103 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 39' ' ' PHE . . . . . . . . . . . . . 66.3 t80 -114.17 127.25 55.82 Favored 'General case' 0 C--N 1.324 -0.536 0 CA-C-N 116.031 -0.531 . . . . 0.0 110.43 -177.144 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 40' ' ' PHE . . . . . . . . . . . . . 38.2 m-85 -118.84 112.31 19.52 Favored 'General case' 0 C--N 1.324 -0.534 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.922 178.092 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 5.8 p-10 -94.36 -147.6 0.26 Allowed 'General case' 0 C--N 1.323 -0.558 0 N-CA-C 108.594 -0.891 . . . . 0.0 108.594 170.211 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 43.5 mt-10 -74.28 87.74 1.99 Allowed 'General case' 0 C--N 1.323 -0.554 0 CA-C-O 121.663 0.744 . . . . 0.0 109.903 176.12 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 43' ' ' VAL . . . . . . . . . . . . . 21.0 m -129.4 -165.23 0.44 Allowed 'Isoleucine or valine' 0 C--N 1.32 -0.681 0 CA-C-N 115.364 -0.835 . . . . 0.0 110.134 -176.106 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 17.3 ptpt -58.42 150.39 22.5 Favored 'General case' 0 C--N 1.326 -0.449 0 CA-C-O 121.092 0.473 . . . . 0.0 110.955 176.568 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 58.5 tp -62.27 128.07 34.33 Favored 'General case' 0 C--N 1.323 -0.575 0 CA-C-N 115.481 -0.781 . . . . 0.0 109.97 176.884 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 21.7 t70 -59.96 154.76 18.13 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-O 121.112 0.482 . . . . 0.0 110.536 177.904 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 123.75 -11.12 8.39 Favored Glycine 0 N--CA 1.446 -0.667 0 N-CA-C 109.948 -1.261 . . . . 0.0 109.948 -169.641 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 48' ' ' MET . . . . . . . . . . . . . 15.1 tpt -56.92 127.14 30.31 Favored 'General case' 0 N--CA 1.452 -0.36 0 CA-C-N 114.76 -0.72 . . . . 0.0 109.909 172.727 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 36.0 tt0 -75.76 130.63 38.95 Favored 'General case' 0 C--N 1.32 -0.712 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.525 -179.055 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -83.15 142.65 31.06 Favored 'General case' 0 C--N 1.32 -0.704 0 CA-C-N 115.859 -0.61 . . . . 0.0 109.726 176.394 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -70.66 152.89 43.37 Favored 'General case' 0 C--N 1.323 -0.568 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.655 -178.514 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -71.77 90.2 1.07 Allowed 'General case' 0 C--N 1.323 -0.56 0 CA-C-N 115.848 -0.614 . . . . 0.0 110.702 -179.03 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 64.1 tp -93.17 110.82 22.33 Favored 'General case' 0 C--N 1.323 -0.571 0 CA-C-N 115.855 -0.611 . . . . 0.0 110.781 -178.837 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 54' ' ' ASN . . . . . 0.455 ' HA ' ' O ' ' A' ' 16' ' ' PHE . 10.3 t30 -144.28 99.08 3.32 Favored 'General case' 0 C--N 1.32 -0.703 0 CA-C-N 115.98 -0.555 . . . . 0.0 109.809 178.456 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . 179.48 177.37 47.75 Favored Glycine 0 N--CA 1.446 -0.658 0 CA-C-N 115.811 -0.631 . . . . 0.0 111.715 -179.042 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 56' ' ' SER . . . . . 0.407 ' HA ' ' O ' ' A' ' 14' ' ' LYS . 28.2 p -112.38 111.09 21.69 Favored 'General case' 0 C--N 1.322 -0.613 0 CA-C-N 116.728 0.264 . . . . 0.0 110.934 179.535 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 57' ' ' MET . . . . . 0.519 ' HB2' ' OE1' ' A' ' 61' ' ' GLN . 22.4 ptt? -167.15 -165.53 0.71 Allowed 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.34 -0.391 . . . . 0.0 110.424 178.621 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 57.9 m -89.48 162.01 15.94 Favored 'General case' 0 C--N 1.326 -0.44 0 N-CA-C 111.962 0.356 . . . . 0.0 111.962 -175.067 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 59' ' ' VAL . . . . . . . . . . . . . 61.4 t -64.28 -38.7 83.21 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.217 0 CA-C-N 116.251 -0.432 . . . . 0.0 109.958 178.358 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 60' ' ' GLU . . . . . 0.485 ' O ' ' HG3' ' A' ' 64' ' ' ARG . 24.3 mm-40 -52.07 -34.96 46.04 Favored 'General case' 0 C--N 1.331 -0.204 0 CA-C-N 115.315 -0.857 . . . . 0.0 111.27 177.109 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 61' ' ' GLN . . . . . 0.519 ' OE1' ' HB2' ' A' ' 57' ' ' MET . 79.7 mt-30 -91.03 -40.84 11.41 Favored 'General case' 0 C--N 1.322 -0.63 0 CA-C-N 115.796 -0.638 . . . . 0.0 111.181 -178.061 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . -63.92 -50.16 62.81 Favored Glycine 0 C--O 1.226 -0.354 0 C-N-CA 121.135 -0.555 . . . . 0.0 112.677 -178.633 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 63' ' ' LEU . . . . . 0.481 ' CD1' HD11 ' A' ' 67' ' ' ILE . 0.2 OUTLIER -56.02 -38.86 71.08 Favored 'General case' 0 C--N 1.328 -0.355 0 C-N-CA 122.74 0.416 . . . . 0.0 110.813 -176.478 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 64' ' ' ARG . . . . . 0.485 ' HG3' ' O ' ' A' ' 60' ' ' GLU . 35.8 mtp-105 -55.09 -60.34 3.52 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 115.677 -0.692 . . . . 0.0 111.27 178.102 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 65' ' ' ARG . . . . . 0.479 ' HA ' ' HA2' ' A' ' 69' ' ' GLY . 99.2 mtt180 -73.52 -30.76 63.3 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 115.716 -0.674 . . . . 0.0 111.247 -175.15 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 66' ' ' LEU . . . . . 0.408 HD12 HG22 ' A' ' 18' ' ' ILE . 20.2 tp -62.44 -36.22 81.72 Favored 'General case' 0 C--N 1.325 -0.499 0 CA-C-N 115.877 -0.601 . . . . 0.0 111.091 -177.2 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 67' ' ' ILE . . . . . 0.504 ' HB ' ' ND2' ' A' ' 111' ' ' ASN . 54.0 mt -90.21 -65.65 0.97 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 C-N-CA 120.524 -0.47 . . . . 0.0 110.874 179.038 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . -117.53 -53.96 0.31 Allowed Glycine 0 N--CA 1.45 -0.399 0 C-N-CA 120.96 -0.638 . . . . 0.0 113.612 -177.177 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 69' ' ' GLY . . . . . 0.479 ' HA2' ' HA ' ' A' ' 65' ' ' ARG . . . 103.24 4.61 47.2 Favored Glycine 0 N--CA 1.45 -0.413 0 N-CA-C 110.571 -1.012 . . . . 0.0 110.571 -168.199 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 70' ' ' ASN . . . . . . . . . . . . . 2.7 m-20 -100.59 159.33 29.95 Favored Pre-proline 0 C--N 1.327 -0.376 0 CA-C-N 115.072 -0.564 . . . . 0.0 110.284 -177.299 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 71' ' ' PRO . . . . . 0.438 ' HB3' ' HG ' ' A' ' 105' ' ' LEU . 12.5 Cg_exo -70.41 109.34 2.41 Favored 'Trans proline' 0 C--N 1.344 0.335 0 C-N-CA 122.637 2.224 . . . . 0.0 111.019 173.062 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 72' ' ' VAL . . . . . 0.525 HG11 ' ND2' ' A' ' 111' ' ' ASN . 11.6 p -149.4 161.77 4.75 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.555 0 N-CA-C 109.575 -0.528 . . . . 0.0 109.575 -172.226 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 73' ' ' ALA . . . . . 0.492 ' CB ' HD11 ' A' ' 87' ' ' LEU . . . -110.61 118.8 37.2 Favored 'General case' 0 N--CA 1.444 -0.737 0 CA-C-O 121.09 0.471 . . . . 0.0 110.256 -176.635 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 74' ' ' PHE . . . . . . . . . . . . . 13.9 p90 -120.39 119.29 32.65 Favored 'General case' 0 C--N 1.314 -0.977 0 N-CA-C 109.521 -0.548 . . . . 0.0 109.521 179.499 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 75' ' ' ARG . . . . . . . . . . . . . 87.2 mtm180 -87.42 109.06 19.3 Favored 'General case' 0 C--N 1.316 -0.873 0 CA-C-N 115.704 -0.68 . . . . 0.0 110.963 -174.997 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 76' ' ' LEU . . . . . . . . . . . . . 82.0 mt -85.38 98.21 10.43 Favored 'General case' 0 C--N 1.32 -0.675 0 CA-C-N 115.365 -0.834 . . . . 0.0 108.824 174.4 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 77' ' ' GLN . . . . . . . . . . . . . 24.0 mt-30 -76.78 140.69 67.64 Favored Pre-proline 0 C--N 1.322 -0.62 0 CA-C-N 115.957 -0.565 . . . . 0.0 110.511 -176.273 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 78' ' ' PRO . . . . . . . . . . . . . 34.2 Cg_endo -65.48 -6.68 14.1 Favored 'Trans proline' 0 C--N 1.345 0.384 0 C-N-CA 123.162 2.575 . . . . 0.0 111.791 176.783 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 79' ' ' GLN . . . . . . . . . . . . . 77.7 mt-30 -80.77 -2.92 49.05 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 115.669 -0.696 . . . . 0.0 109.826 173.55 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . 84.05 38.88 9.74 Favored Glycine 0 N--CA 1.445 -0.724 0 CA-C-N 115.565 -0.743 . . . . 0.0 112.258 179.53 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 81' ' ' GLN . . . . . 0.501 ' HA ' ' O ' ' A' ' 37' ' ' GLN . 29.0 mm-40 -128.85 140.6 51.62 Favored 'General case' 0 C--N 1.326 -0.428 0 CA-C-N 116.717 0.258 . . . . 0.0 110.85 -178.133 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 82' ' ' ILE . . . . . . . . . . . . . 52.2 mt -108.41 111.71 37.17 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.428 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.246 177.808 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 83' ' ' VAL . . . . . . . . . . . . . 49.0 t -117.86 112.09 37.12 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 CA-C-N 116.432 -0.349 . . . . 0.0 110.829 -179.371 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 84' ' ' LEU . . . . . . . . . . . . . 26.7 tp -78.28 142.46 37.79 Favored 'General case' 0 C--N 1.324 -0.511 0 N-CA-C 109.407 -0.59 . . . . 0.0 109.407 176.847 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 85' ' ' SER . . . . . . . . . . . . . 41.2 m -152.08 172.57 16.11 Favored 'General case' 0 N--CA 1.448 -0.571 0 CA-C-O 121.049 0.452 . . . . 0.0 110.458 -176.802 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 86' ' ' ARG . . . . . . . . . . . . . 48.2 ttp180 -122.89 133.42 54.41 Favored 'General case' 0 C--N 1.318 -0.766 0 N-CA-C 109.177 -0.675 . . . . 0.0 109.177 177.709 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 87' ' ' LEU . . . . . 0.492 HD11 ' CB ' ' A' ' 73' ' ' ALA . 15.0 mt -133.75 122.54 16.68 Favored Pre-proline 0 C--N 1.317 -0.826 0 CA-C-N 116.383 -0.372 . . . . 0.0 111.015 -175.557 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 88' ' ' PRO . . . . . 0.413 ' HD3' ' HA ' ' A' ' 87' ' ' LEU . 6.5 Cg_exo -73.99 116.76 4.76 Favored 'Trans proline' 0 N--CA 1.458 -0.597 0 C-N-CA 122.872 2.381 . . . . 0.0 111.174 176.299 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 89' ' ' THR . . . . . . . . . . . . . 26.5 m -76.13 89.97 3.07 Favored 'General case' 0 C--N 1.319 -0.72 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.369 -179.667 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 90' ' ' ALA . . . . . . . . . . . . . . . -67.21 107.35 2.32 Favored 'General case' 0 C--N 1.323 -0.549 0 CA-C-O 121.091 0.472 . . . . 0.0 109.9 177.362 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 91' ' ' ASN . . . . . . . . . . . . . 47.1 t-20 -106.34 -50.61 3.11 Favored 'General case' 0 C--N 1.321 -0.666 0 CA-C-N 115.778 -0.646 . . . . 0.0 109.6 -176.766 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 92' ' ' GLY . . . . . . . . . . . . . . . -75.21 1.3 56.68 Favored Glycine 0 N--CA 1.452 -0.283 0 CA-C-N 115.836 -0.62 . . . . 0.0 112.226 179.711 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 26.0 t70 -71.79 -26.97 62.64 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-O 121.157 0.503 . . . . 0.0 110.139 176.727 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 94' ' ' GLY . . . . . . . . . . . . . . . 95.03 5.01 61.13 Favored Glycine 0 N--CA 1.45 -0.391 0 C-N-CA 120.903 -0.665 . . . . 0.0 112.406 179.731 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 95' ' ' GLY . . . . . . . . . . . . . . . -62.16 123.5 31.37 Favored Glycine 0 N--CA 1.45 -0.382 0 C-N-CA 121.065 -0.588 . . . . 0.0 112.425 -179.864 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 96' ' ' ALA . . . . . . . . . . . . . . . -96.65 116.64 29.46 Favored 'General case' 0 C--N 1.323 -0.569 0 N-CA-C 110.59 -0.152 . . . . 0.0 110.59 -178.842 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 97' ' ' LEU . . . . . . . . . . . . . 94.3 mt 57.88 29.69 17.94 Favored 'General case' 0 N--CA 1.465 0.304 0 O-C-N 123.585 0.553 . . . . 0.0 111.155 -178.733 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 98' ' ' ALA . . . . . . . . . . . . . . . -105.01 -42.83 5.21 Favored 'General case' 0 C--N 1.326 -0.451 0 CA-C-N 115.725 -0.67 . . . . 0.0 110.179 179.954 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 99' ' ' LEU . . . . . . . . . . . . . 3.2 mm? -116.25 16.75 15.82 Favored 'General case' 0 C--N 1.324 -0.512 0 CA-C-N 115.555 -0.748 . . . . 0.0 109.663 177.682 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 100' ' ' ASP . . . . . 0.514 ' O ' HG21 ' A' ' 103' ' ' THR . 13.1 t70 -60.29 -42.6 95.83 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 115.424 -0.807 . . . . 0.0 111.752 -176.127 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 23.3 m -70.9 -16.37 62.68 Favored 'General case' 0 C--N 1.322 -0.599 0 CA-C-N 116.383 -0.371 . . . . 0.0 111.18 -178.259 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 102' ' ' LEU . . . . . . . . . . . . . 91.7 mt -101.75 -10.57 19.83 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.543 -0.299 . . . . 0.0 111.683 -177.897 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 103' ' ' THR . . . . . 0.514 HG21 ' O ' ' A' ' 100' ' ' ASP . 7.0 t -85.6 -31.65 22.5 Favored 'General case' 0 C--O 1.234 0.272 0 C-N-CA 120.439 -0.504 . . . . 0.0 110.157 179.051 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 104' ' ' VAL . . . . . . . . . . . . . 5.3 m -85.53 86.94 2.44 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.328 0 CA-C-O 121.667 0.746 . . . . 0.0 109.692 174.629 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 105' ' ' LEU . . . . . 0.438 ' HG ' ' HB3' ' A' ' 71' ' ' PRO . 62.6 tp 178.7 -32.67 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.523 0 CA-C-N 114.897 -1.047 . . . . 0.0 109.519 -174.004 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 106' ' ' GLY . . . . . . . . . . . . . . . 111.4 -137.76 14.51 Favored Glycine 0 N--CA 1.447 -0.629 0 N-CA-C 110.948 -0.861 . . . . 0.0 110.948 -177.919 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 107' ' ' ALA . . . . . . . . . . . . . . . -85.39 109.58 18.52 Favored 'General case' 0 C--N 1.322 -0.595 0 N-CA-C 109.991 -0.374 . . . . 0.0 109.991 176.384 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 108' ' ' GLY . . . . . . . . . . . . . . . -71.87 108.41 2.48 Favored Glycine 0 N--CA 1.448 -0.547 0 C-N-CA 120.911 -0.661 . . . . 0.0 112.366 -179.038 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 109' ' ' GLY . . . . . . . . . . . . . . . -126.34 -149.0 7.23 Favored Glycine 0 N--CA 1.444 -0.827 0 N-CA-C 111.513 -0.635 . . . . 0.0 111.513 -179.646 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 110' ' ' ASN . . . . . . . . . . . . . 3.5 p-10 -122.79 147.26 46.73 Favored 'General case' 0 C--N 1.321 -0.667 0 CA-C-O 120.696 0.284 . . . . 0.0 110.333 178.372 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 111' ' ' ASN . . . . . 0.525 ' ND2' HG11 ' A' ' 72' ' ' VAL . 40.3 m-20 -63.44 134.69 56.09 Favored 'General case' 0 C--N 1.328 -0.353 0 N-CA-C 109.019 -0.734 . . . . 0.0 109.019 172.185 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 112' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.248 0.996 0 O-C-N 123.844 0.715 . . . . 0.0 111.864 -175.055 . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 16.5 m . . . . . 0 N--CA 1.473 0.709 0 N-CA-C 110.267 -0.272 . . . . 0.0 110.267 . . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' A' A ' 7' ' ' MET . . . . . . . . . . . . . 14.4 tpt -151.05 109.45 3.78 Favored 'General case' 0 C--N 1.324 -0.509 0 CA-C-O 120.92 0.39 . . . . 0.0 110.059 179.517 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -66.05 -35.87 81.71 Favored 'General case' 0 C--N 1.326 -0.451 0 CA-C-N 115.998 -0.546 . . . . 0.0 111.379 -177.583 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 9' ' ' GLN . . . . . . . . . . . . . 15.4 mm100 -83.09 11.66 6.07 Favored 'General case' 0 C--N 1.326 -0.453 0 CA-C-N 116.3 -0.409 . . . . 0.0 111.846 -178.589 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -95.25 20.07 9.76 Favored 'General case' 0 C--N 1.326 -0.446 0 CA-C-O 120.626 0.25 . . . . 0.0 110.886 179.312 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . 66.84 84.17 0.16 Allowed 'General case' 0 C--O 1.232 0.174 0 CA-C-N 115.598 -0.728 . . . . 0.0 111.248 179.708 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 26.9 tp60 -65.08 110.1 2.39 Favored 'General case' 0 C--N 1.324 -0.537 0 CA-C-N 115.577 -0.738 . . . . 0.0 110.365 178.867 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 85.7 mt-30 -89.79 146.06 24.74 Favored 'General case' 0 C--N 1.323 -0.583 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.575 178.153 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 14' ' ' LYS . . . . . 0.487 ' HB2' ' CZ ' ' A' ' 16' ' ' PHE . 35.0 mmtp -130.72 156.85 44.25 Favored 'General case' 0 C--N 1.324 -0.512 0 N-CA-C 109.614 -0.513 . . . . 0.0 109.614 177.073 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 15' ' ' ASN . . . . . . . . . . . . . 81.8 m-20 -81.79 99.75 9.16 Favored 'General case' 0 C--N 1.325 -0.494 0 CA-C-N 116.336 -0.393 . . . . 0.0 110.336 -179.254 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 16' ' ' PHE . . . . . 0.487 ' CZ ' ' HB2' ' A' ' 14' ' ' LYS . 47.0 m-85 -104.64 141.06 37.1 Favored 'General case' 0 C--N 1.324 -0.514 0 CA-C-O 120.964 0.411 . . . . 0.0 110.687 -179.632 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 5.4 t30 -150.98 98.71 2.62 Favored 'General case' 0 C--N 1.323 -0.557 0 CA-C-N 116.002 -0.544 . . . . 0.0 109.733 177.85 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 18' ' ' ILE . . . . . . . . . . . . . 35.6 mt -128.37 117.46 45.31 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.533 0 CA-C-O 120.755 0.312 . . . . 0.0 110.894 -176.07 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -64.32 142.15 58.52 Favored 'General case' 0 C--N 1.327 -0.413 0 N-CA-C 109.24 -0.652 . . . . 0.0 109.24 172.328 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -63.51 103.99 0.59 Allowed 'General case' 0 C--N 1.328 -0.367 0 CA-C-O 121.356 0.598 . . . . 0.0 111.088 -175.318 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 21' ' ' GLN . . . . . . . . . . . . . 79.3 mt-30 -103.92 173.72 3.22 Favored Pre-proline 0 C--N 1.321 -0.642 0 CA-C-N 115.032 -0.985 . . . . 0.0 109.748 176.468 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 22' ' ' PRO . . . . . 0.432 ' HA ' ' O ' ' A' ' 48' ' ' MET . 47.5 Cg_exo -57.57 135.44 69.61 Favored 'Trans proline' 0 N--CA 1.46 -0.454 0 C-N-CA 121.559 1.506 . . . . 0.0 110.22 167.097 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 54.8 tp -48.59 -44.41 36.9 Favored 'General case' 0 C--O 1.237 0.423 0 N-CA-C 112.304 0.483 . . . . 0.0 112.304 -168.931 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 24' ' ' GLN . . . . . 0.438 ' O ' ' HB2' ' A' ' 28' ' ' LEU . 49.4 mt-30 -61.61 -33.33 73.73 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.596 -179.493 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 32.7 t -87.87 -28.1 21.79 Favored 'General case' 0 C--N 1.325 -0.486 0 CA-C-O 120.91 0.386 . . . . 0.0 110.247 179.444 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -61.76 -56.4 19.96 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 115.944 -0.571 . . . . 0.0 110.872 179.93 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 27' ' ' MET . . . . . 0.753 ' SD ' ' HB ' ' A' ' 38' ' ' VAL . 35.7 mtt -71.52 -24.65 62.0 Favored 'General case' 0 C--O 1.217 -0.644 0 CA-C-N 116.268 -0.423 . . . . 0.0 110.456 178.954 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 28' ' ' LEU . . . . . 0.438 ' HB2' ' O ' ' A' ' 24' ' ' GLN . 9.6 tt -56.84 -36.09 69.61 Favored 'General case' 0 C--N 1.319 -0.73 0 N-CA-C 109.649 -0.5 . . . . 0.0 109.649 176.1 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 29.2 mmm180 -70.37 -55.72 8.42 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 115.947 -0.569 . . . . 0.0 111.686 179.888 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 21.0 t80 -80.4 -49.91 10.83 Favored 'General case' 0 C--N 1.327 -0.397 0 N-CA-C 112.176 0.436 . . . . 0.0 112.176 -175.56 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -65.77 -26.78 67.87 Favored 'General case' 0 C--N 1.323 -0.584 0 CA-C-N 116.352 -0.386 . . . . 0.0 111.994 -170.444 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 7.5 pt-20 -62.21 -32.14 72.77 Favored 'General case' 0 N--CA 1.465 0.304 0 C-N-CA 120.065 -0.654 . . . . 0.0 110.374 176.422 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 33' ' ' GLN . . . . . . . . . . . . . 48.4 mt-30 -77.65 -14.25 59.68 Favored 'General case' 0 C--N 1.331 -0.239 0 CA-C-O 121.324 0.583 . . . . 0.0 109.855 178.373 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -106.88 5.93 28.86 Favored 'General case' 0 C--N 1.325 -0.489 0 CA-C-N 115.622 -0.717 . . . . 0.0 110.841 178.764 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 67.9 32.96 78.43 Favored Glycine 0 CA--C 1.519 0.323 0 CA-C-N 116.004 -0.543 . . . . 0.0 112.796 178.09 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 36' ' ' MET . . . . . . . . . . . . . 73.8 mtm -139.3 175.04 9.9 Favored 'General case' 0 C--N 1.323 -0.569 0 CA-C-O 120.776 0.322 . . . . 0.0 110.612 -178.866 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 37' ' ' GLN . . . . . . . . . . . . . 54.4 tt0 -150.8 158.41 44.12 Favored 'General case' 0 C--N 1.322 -0.608 0 N-CA-C 108.596 -0.89 . . . . 0.0 108.596 177.004 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 38' ' ' VAL . . . . . 0.753 ' HB ' ' SD ' ' A' ' 27' ' ' MET . 2.9 p -77.23 127.67 38.11 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.395 0 CA-C-O 121.212 0.529 . . . . 0.0 110.936 -176.092 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 39' ' ' PHE . . . . . 0.4 ' HB3' ' CG1' ' A' ' 83' ' ' VAL . 37.3 t80 -119.2 139.54 51.68 Favored 'General case' 0 C--N 1.324 -0.514 0 CA-C-N 115.582 -0.735 . . . . 0.0 109.508 -178.61 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 40' ' ' PHE . . . . . . . . . . . . . 25.3 p90 -143.25 131.77 22.34 Favored 'General case' 0 C--N 1.32 -0.677 0 CA-C-O 121.114 0.483 . . . . 0.0 110.601 -178.454 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 6.3 m-20 -82.36 -70.6 0.54 Allowed 'General case' 0 CA--C 1.515 -0.396 0 CA-C-N 115.53 -0.759 . . . . 0.0 110.57 -179.721 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 35.7 mt-10 -115.96 86.58 2.51 Favored 'General case' 0 C--N 1.319 -0.736 0 CA-C-N 115.801 -0.636 . . . . 0.0 109.838 -179.333 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 43' ' ' VAL . . . . . . . . . . . . . 98.4 t -145.24 109.99 1.04 Allowed 'Isoleucine or valine' 0 C--N 1.323 -0.568 0 CA-C-N 115.357 -0.838 . . . . 0.0 109.255 178.787 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 25.9 ttpp -125.9 88.69 2.9 Favored 'General case' 0 C--N 1.321 -0.637 0 CA-C-O 121.223 0.535 . . . . 0.0 110.062 -179.356 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 4.3 tt -140.97 99.82 3.68 Favored 'General case' 0 C--N 1.32 -0.68 0 N-CA-C 108.192 -1.04 . . . . 0.0 108.192 176.94 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 17.1 m-20 -64.01 116.39 5.83 Favored 'General case' 0 C--N 1.322 -0.602 0 CA-C-N 115.695 -0.684 . . . . 0.0 110.814 -176.224 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 86.16 22.06 49.91 Favored Glycine 0 N--CA 1.448 -0.554 0 C-N-CA 120.964 -0.636 . . . . 0.0 112.554 179.151 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 48' ' ' MET . . . . . 0.432 ' O ' ' HA ' ' A' ' 22' ' ' PRO . 27.6 ttt -50.42 120.07 4.28 Favored 'General case' 0 N--CA 1.465 0.302 0 C-N-CA 122.687 0.395 . . . . 0.0 110.905 -179.902 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 28.5 tt0 -106.0 147.56 28.71 Favored 'General case' 0 C--N 1.324 -0.519 0 CA-C-O 120.804 0.335 . . . . 0.0 110.742 -174.904 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -88.21 -169.42 2.56 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-N 116.006 -0.543 . . . . 0.0 110.406 177.198 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -105.36 174.46 5.87 Favored 'General case' 0 C--N 1.325 -0.499 0 CA-C-O 120.844 0.354 . . . . 0.0 110.76 -178.95 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -77.17 93.41 3.92 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.078 -0.51 . . . . 0.0 111.077 -179.714 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 53' ' ' LEU . . . . . 0.439 ' C ' HD11 ' A' ' 53' ' ' LEU . 3.4 tm? -82.99 108.64 16.45 Favored 'General case' 0 C--N 1.324 -0.522 0 CA-C-N 115.79 -0.641 . . . . 0.0 110.001 179.318 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 54' ' ' ASN . . . . . . . . . . . . . 17.3 m120 -144.22 99.09 3.32 Favored 'General case' 0 C--N 1.325 -0.499 0 N-CA-C 109.57 -0.53 . . . . 0.0 109.57 176.53 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . 178.86 159.84 23.83 Favored Glycine 0 N--CA 1.449 -0.436 0 C-N-CA 119.893 -1.146 . . . . 0.0 113.222 -179.771 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 22.8 t -102.91 99.64 9.57 Favored 'General case' 0 C--N 1.323 -0.577 0 N-CA-C 109.174 -0.676 . . . . 0.0 109.174 175.024 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 57' ' ' MET . . . . . . . . . . . . . 18.0 ptp -151.21 -175.99 5.38 Favored 'General case' 0 C--N 1.323 -0.546 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.518 -175.558 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 15.2 m -87.35 177.65 7.07 Favored 'General case' 0 C--N 1.322 -0.595 0 C-N-CA 121.229 -0.188 . . . . 0.0 110.635 -177.881 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 59' ' ' VAL . . . . . . . . . . . . . 9.7 p -63.03 -39.14 84.08 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.386 0 CA-C-O 120.96 0.41 . . . . 0.0 110.419 -178.143 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 60' ' ' GLU . . . . . 0.548 ' HA ' ' CZ ' ' A' ' 74' ' ' PHE . 2.6 mp0 -58.05 -59.51 5.17 Favored 'General case' 0 C--N 1.325 -0.48 0 CA-C-N 115.515 -0.766 . . . . 0.0 111.378 -179.988 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 61' ' ' GLN . . . . . . . . . . . . . 15.6 mm100 -68.85 -35.71 77.27 Favored 'General case' 0 C--N 1.324 -0.543 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.462 -177.905 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . -61.6 -55.41 28.94 Favored Glycine 0 N--CA 1.445 -0.736 0 CA-C-N 115.906 -0.588 . . . . 0.0 112.321 -179.345 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 3.0 mm? -58.68 -40.7 84.29 Favored 'General case' 0 C--N 1.329 -0.322 0 N-CA-C 111.825 0.305 . . . . 0.0 111.825 -177.5 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 64' ' ' ARG . . . . . . . . . . . . . 82.7 mtt180 -63.48 -41.58 98.57 Favored 'General case' 0 C--N 1.325 -0.476 0 CA-C-N 116.66 -0.246 . . . . 0.0 111.06 -178.877 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 65' ' ' ARG . . . . . 0.534 ' HA ' ' HA2' ' A' ' 69' ' ' GLY . 87.8 mtt180 -80.2 -27.27 38.88 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-O 120.889 0.375 . . . . 0.0 111.062 179.176 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 6.7 tt -66.24 -48.95 68.89 Favored 'General case' 0 C--N 1.325 -0.483 0 CA-C-N 115.456 -0.793 . . . . 0.0 110.914 -178.665 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 67' ' ' ILE . . . . . . . . . . . . . 44.1 mt -79.52 -63.58 1.1 Allowed 'Isoleucine or valine' 0 C--N 1.323 -0.587 0 CA-C-N 116.13 -0.486 . . . . 0.0 111.584 -172.98 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 68' ' ' GLY . . . . . 0.411 ' HA3' ' OD1' ' A' ' 111' ' ' ASN . . . -114.48 -42.74 0.8 Allowed Glycine 0 N--CA 1.451 -0.333 0 C-N-CA 120.514 -0.851 . . . . 0.0 113.359 -176.869 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 69' ' ' GLY . . . . . 0.534 ' HA2' ' HA ' ' A' ' 65' ' ' ARG . . . 105.78 -8.23 42.8 Favored Glycine 0 N--CA 1.448 -0.546 0 C-N-CA 121.033 -0.603 . . . . 0.0 111.962 -171.126 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 70' ' ' ASN . . . . . . . . . . . . . 84.1 m-20 -100.6 156.41 35.23 Favored Pre-proline 0 C--N 1.328 -0.341 0 CA-C-O 120.659 0.266 . . . . 0.0 110.497 -179.353 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 71' ' ' PRO . . . . . . . . . . . . . 2.7 Cg_exo -75.67 99.34 1.26 Allowed 'Trans proline' 0 N--CA 1.462 -0.382 0 C-N-CA 122.812 2.342 . . . . 0.0 111.879 177.837 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 72' ' ' VAL . . . . . . . . . . . . . 2.3 t -138.57 160.73 31.01 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.543 0 N-CA-C 107.515 -1.291 . . . . 0.0 107.515 179.189 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -105.96 119.59 39.58 Favored 'General case' 0 N--CA 1.445 -0.693 0 C-N-CA 120.454 -0.498 . . . . 0.0 111.402 -166.019 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 74' ' ' PHE . . . . . 0.548 ' CZ ' ' HA ' ' A' ' 60' ' ' GLU . 21.2 p90 -110.19 146.38 35.65 Favored 'General case' 0 C--N 1.314 -0.948 0 N-CA-C 109.238 -0.653 . . . . 0.0 109.238 178.237 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 75' ' ' ARG . . . . . 0.403 HH11 ' HD2' ' A' ' 75' ' ' ARG . 53.5 mtm180 -119.32 111.46 18.21 Favored 'General case' 0 C--N 1.315 -0.91 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.319 -177.048 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 76' ' ' LEU . . . . . . . . . . . . . 51.3 mt -78.04 99.2 6.01 Favored 'General case' 0 C--N 1.326 -0.446 0 N-CA-C 109.391 -0.596 . . . . 0.0 109.391 178.507 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 77' ' ' GLN . . . . . 0.47 ' C ' ' H ' ' A' ' 79' ' ' GLN . 85.4 mm-40 -78.53 135.94 60.25 Favored Pre-proline 0 C--N 1.32 -0.69 0 CA-C-N 115.905 -0.589 . . . . 0.0 110.832 -176.004 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 78' ' ' PRO . . . . . . . . . . . . . 17.0 Cg_exo -68.11 9.4 0.38 Allowed 'Trans proline' 0 C--N 1.347 0.499 0 C-N-CA 123.271 2.648 . . . . 0.0 112.034 175.33 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 79' ' ' GLN . . . . . 0.47 ' H ' ' C ' ' A' ' 77' ' ' GLN . 14.8 mt-30 -99.26 11.89 37.77 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-N 115.511 -0.768 . . . . 0.0 109.85 179.094 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . 76.28 35.5 42.68 Favored Glycine 0 N--CA 1.451 -0.312 0 CA-C-N 115.855 -0.611 . . . . 0.0 112.047 -177.936 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 81' ' ' GLN . . . . . . . . . . . . . 75.7 mt-30 -135.6 127.09 28.7 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-O 120.775 0.322 . . . . 0.0 111.742 -173.949 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 82' ' ' ILE . . . . . . . . . . . . . 48.2 mt -102.82 108.85 25.15 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.705 0 N-CA-C 109.0 -0.741 . . . . 0.0 109.0 171.06 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 83' ' ' VAL . . . . . 0.4 ' CG1' ' HB3' ' A' ' 39' ' ' PHE . 18.9 m -117.06 141.66 34.41 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.603 0 CA-C-N 116.337 -0.392 . . . . 0.0 110.63 -179.552 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 84' ' ' LEU . . . . . 0.454 HD23 ' N ' ' A' ' 85' ' ' SER . 2.4 tt -107.55 137.66 45.17 Favored 'General case' 0 C--N 1.318 -0.799 0 N-CA-C 109.271 -0.64 . . . . 0.0 109.271 -179.175 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 85' ' ' SER . . . . . 0.454 ' N ' HD23 ' A' ' 84' ' ' LEU . 14.6 m -126.27 138.71 53.63 Favored 'General case' 0 N--CA 1.444 -0.769 0 N-CA-C 109.911 -0.403 . . . . 0.0 109.911 -177.618 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 86' ' ' ARG . . . . . . . . . . . . . 15.3 tpp180 -79.86 73.2 6.63 Favored 'General case' 0 C--N 1.324 -0.527 0 CA-C-O 121.654 0.74 . . . . 0.0 109.576 -179.18 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 87' ' ' LEU . . . . . . . . . . . . . 37.2 mt -112.53 140.76 24.19 Favored Pre-proline 0 C--N 1.32 -0.704 0 CA-C-N 114.991 -1.004 . . . . 0.0 110.108 -176.253 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 88' ' ' PRO . . . . . . . . . . . . . 27.9 Cg_endo -63.37 106.12 0.55 Allowed 'Trans proline' 0 N--CA 1.464 -0.246 0 C-N-CA 122.67 2.247 . . . . 0.0 111.748 177.866 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 89' ' ' THR . . . . . . . . . . . . . 25.5 m -73.66 102.12 3.84 Favored 'General case' 0 C--N 1.322 -0.601 0 CA-C-N 115.897 -0.592 . . . . 0.0 110.273 -179.789 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 90' ' ' ALA . . . . . . . . . . . . . . . -89.72 108.49 19.71 Favored 'General case' 0 C--N 1.325 -0.49 0 CA-C-N 116.07 -0.514 . . . . 0.0 111.025 -178.269 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 91' ' ' ASN . . . . . . . . . . . . . 3.2 p-10 -131.35 -25.35 2.19 Favored 'General case' 0 C--N 1.321 -0.649 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.153 175.375 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 92' ' ' GLY . . . . . . . . . . . . . . . -62.99 -42.36 99.69 Favored Glycine 0 N--CA 1.45 -0.414 0 C-N-CA 121.028 -0.606 . . . . 0.0 112.416 -176.793 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 11.2 p-10 -83.35 5.53 23.07 Favored 'General case' 0 C--N 1.324 -0.51 0 CA-C-O 120.94 0.4 . . . . 0.0 110.492 -179.29 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 94' ' ' GLY . . . . . . . . . . . . . . . 95.45 -9.72 69.22 Favored Glycine 0 N--CA 1.447 -0.592 0 C-N-CA 120.983 -0.627 . . . . 0.0 111.838 -177.88 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 95' ' ' GLY . . . . . . . . . . . . . . . 82.7 62.12 1.89 Allowed Glycine 0 N--CA 1.446 -0.69 0 C-N-CA 120.776 -0.726 . . . . 0.0 112.124 179.809 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 96' ' ' ALA . . . . . . . . . . . . . . . -62.83 145.83 54.1 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.96 0.409 . . . . 0.0 110.552 177.523 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 97' ' ' LEU . . . . . . . . . . . . . 2.8 mm? -77.77 13.5 1.32 Allowed 'General case' 0 C--N 1.326 -0.414 0 CA-C-N 116.132 -0.485 . . . . 0.0 111.334 -175.551 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 98' ' ' ALA . . . . . . . . . . . . . . . -75.3 -21.2 58.65 Favored 'General case' 0 C--N 1.325 -0.482 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.464 177.116 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 99' ' ' LEU . . . . . 0.455 ' O ' HD22 ' A' ' 102' ' ' LEU . 71.0 mt -105.46 16.84 24.88 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-N 116.007 -0.542 . . . . 0.0 111.076 179.739 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 100' ' ' ASP . . . . . . . . . . . . . 21.9 t70 -68.7 -18.05 64.18 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 121.492 0.663 . . . . 0.0 110.496 179.62 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 4.8 p -70.45 0.71 6.11 Favored 'General case' 0 C--N 1.322 -0.589 0 CA-C-N 115.627 -0.715 . . . . 0.0 111.663 178.494 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 102' ' ' LEU . . . . . 0.455 HD22 ' O ' ' A' ' 99' ' ' LEU . 1.7 pt? -67.11 -21.26 65.86 Favored 'General case' 0 CA--C 1.531 0.213 0 CA-C-O 120.688 0.28 . . . . 0.0 111.194 -179.593 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 103' ' ' THR . . . . . . . . . . . . . 19.0 m -62.89 -40.45 97.6 Favored 'General case' 0 C--O 1.235 0.307 0 CA-C-O 121.161 0.505 . . . . 0.0 110.93 179.903 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 104' ' ' VAL . . . . . . . . . . . . . 27.9 m -97.27 154.07 3.75 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.634 0 CA-C-N 115.962 -0.563 . . . . 0.0 109.584 177.475 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 105' ' ' LEU . . . . . 0.444 ' O ' ' HG ' ' A' ' 105' ' ' LEU . 46.1 tp 61.25 28.48 18.03 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-O 121.526 0.679 . . . . 0.0 109.595 -177.17 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 106' ' ' GLY . . . . . . . . . . . . . . . -67.45 123.51 20.22 Favored Glycine 0 N--CA 1.447 -0.599 0 CA-C-N 115.458 -0.792 . . . . 0.0 112.558 -176.684 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 107' ' ' ALA . . . . . . . . . . . . . . . -81.73 109.75 16.42 Favored 'General case' 0 C--N 1.323 -0.576 0 N-CA-C 110.259 -0.274 . . . . 0.0 110.259 177.92 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 108' ' ' GLY . . . . . . . . . . . . . . . -66.9 141.52 40.07 Favored Glycine 0 N--CA 1.449 -0.494 0 C-N-CA 120.786 -0.721 . . . . 0.0 112.116 179.077 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 109' ' ' GLY . . . . . . . . . . . . . . . -169.46 -171.84 35.5 Favored Glycine 0 N--CA 1.446 -0.659 0 C-N-CA 120.71 -0.757 . . . . 0.0 111.872 -179.213 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 110' ' ' ASN . . . . . . . . . . . . . 26.4 p-10 -99.94 -171.12 1.99 Allowed 'General case' 0 C--N 1.322 -0.63 0 N-CA-C 110.136 -0.32 . . . . 0.0 110.136 -179.6 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 111' ' ' ASN . . . . . 0.411 ' OD1' ' HA3' ' A' ' 68' ' ' GLY . 18.2 t-20 -90.16 -55.68 3.51 Favored 'General case' 0 C--N 1.324 -0.512 0 CA-C-O 121.226 0.536 . . . . 0.0 110.097 -179.837 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 112' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.25 1.128 0 CA-C-O 118.661 -0.685 . . . . 0.0 110.778 -178.636 . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 34.5 t . . . . . 0 N--CA 1.476 0.829 0 CA-C-O 120.839 0.352 . . . . 0.0 110.198 . . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' A' A ' 7' ' ' MET . . . . . . . . . . . . . 1.3 tmt? -128.06 -62.19 1.07 Allowed 'General case' 0 C--N 1.324 -0.514 0 N-CA-C 109.648 -0.501 . . . . 0.0 109.648 177.985 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -68.17 -36.05 79.0 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.06 -0.518 . . . . 0.0 110.88 -178.882 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 9' ' ' GLN . . . . . . . . . . . . . 15.9 mm100 -76.69 -29.9 56.48 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 116.277 -0.42 . . . . 0.0 110.465 178.626 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -74.67 -32.37 62.21 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 115.985 -0.552 . . . . 0.0 110.45 178.528 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -84.89 -175.87 5.96 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-N 115.622 -0.717 . . . . 0.0 109.977 176.138 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 13.6 pt20 -130.45 99.91 5.17 Favored 'General case' 0 C--N 1.321 -0.655 0 CA-C-O 121.158 0.504 . . . . 0.0 110.989 -176.23 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 13' ' ' GLN . . . . . 0.458 ' HG2' ' O ' ' A' ' 13' ' ' GLN . 5.1 pm0 -80.7 102.21 9.75 Favored 'General case' 0 C--N 1.323 -0.545 0 CA-C-O 121.773 0.797 . . . . 0.0 110.46 178.853 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 74.4 mmtt -109.54 137.13 47.82 Favored 'General case' 0 C--N 1.32 -0.699 0 CA-C-N 115.52 -0.764 . . . . 0.0 109.328 178.638 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 15' ' ' ASN . . . . . 0.441 ' HA ' ' HA ' ' A' ' 56' ' ' SER . 6.4 p30 -83.53 118.41 23.77 Favored 'General case' 0 C--N 1.32 -0.676 0 CA-C-O 121.223 0.535 . . . . 0.0 110.932 -179.169 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 16' ' ' PHE . . . . . 0.42 ' O ' ' HA ' ' A' ' 54' ' ' ASN . 94.0 m-85 -116.1 141.72 47.76 Favored 'General case' 0 C--N 1.321 -0.666 0 CA-C-N 115.876 -0.602 . . . . 0.0 110.353 179.339 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 9.9 t30 -138.72 95.5 2.98 Favored 'General case' 0 C--N 1.321 -0.642 0 N-CA-C 109.421 -0.585 . . . . 0.0 109.421 176.328 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 18' ' ' ILE . . . . . 0.411 ' HB ' ' HB3' ' A' ' 53' ' ' LEU . 13.2 mm -117.74 121.59 67.78 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.769 0 CA-C-N 115.955 -0.566 . . . . 0.0 109.824 -175.938 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -67.39 146.31 54.18 Favored 'General case' 0 C--N 1.325 -0.489 0 N-CA-C 109.095 -0.705 . . . . 0.0 109.095 174.091 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -68.4 101.51 1.24 Allowed 'General case' 0 N--CA 1.452 -0.338 0 CA-C-O 121.562 0.696 . . . . 0.0 110.573 -175.305 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 21' ' ' GLN . . . . . . . . . . . . . 33.2 mt-30 -107.23 170.67 5.39 Favored Pre-proline 0 C--N 1.317 -0.837 0 CA-C-N 114.557 -1.201 . . . . 0.0 110.111 178.039 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 22' ' ' PRO . . . . . . . . . . . . . 51.3 Cg_exo -56.03 136.88 77.16 Favored 'Trans proline' 0 C--N 1.346 0.401 0 C-N-CA 121.632 1.554 . . . . 0.0 109.547 166.18 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 23' ' ' LEU . . . . . 0.49 ' N ' ' HA ' ' A' ' 49' ' ' GLN . 0.9 OUTLIER -53.0 -41.5 64.71 Favored 'General case' 0 C--N 1.325 -0.458 0 N-CA-C 112.954 0.724 . . . . 0.0 112.954 -166.286 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 52.6 mt-30 -65.98 -39.16 90.12 Favored 'General case' 0 C--N 1.325 -0.497 0 CA-C-O 120.75 0.309 . . . . 0.0 111.005 -179.811 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 18.0 m -76.99 -30.72 56.06 Favored 'General case' 0 C--N 1.325 -0.467 0 CA-C-O 121.034 0.445 . . . . 0.0 110.594 179.266 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -62.58 -51.94 65.35 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 115.75 -0.659 . . . . 0.0 110.794 178.995 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 27' ' ' MET . . . . . 0.471 ' HE1' ' HB3' ' A' ' 66' ' ' LEU . 26.5 mmt -70.41 -23.91 62.83 Favored 'General case' 0 C--N 1.323 -0.557 0 CA-C-N 115.396 -0.82 . . . . 0.0 110.82 -178.574 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 28' ' ' LEU . . . . . 0.53 ' O ' ' HB3' ' A' ' 32' ' ' GLU . 8.4 tt -61.58 -32.29 72.38 Favored 'General case' 0 C--N 1.322 -0.608 0 N-CA-C 109.072 -0.714 . . . . 0.0 109.072 175.1 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 29' ' ' ARG . . . . . 0.512 ' O ' ' HG2' ' A' ' 32' ' ' GLU . 21.5 mmt180 -85.72 -47.57 9.65 Favored 'General case' 0 C--N 1.332 -0.184 0 CA-C-N 116.116 -0.493 . . . . 0.0 111.766 179.523 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 8.3 t80 -67.15 -52.36 42.5 Favored 'General case' 0 C--N 1.32 -0.687 0 CA-C-O 121.385 0.612 . . . . 0.0 111.067 -179.834 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -77.69 -17.73 57.36 Favored 'General case' 0 C--N 1.318 -0.794 0 CA-C-N 115.722 -0.672 . . . . 0.0 112.201 -171.136 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 32' ' ' GLU . . . . . 0.53 ' HB3' ' O ' ' A' ' 28' ' ' LEU . 13.8 pt-20 -63.64 -29.6 70.82 Favored 'General case' 0 N--CA 1.467 0.413 0 C-N-CA 120.125 -0.63 . . . . 0.0 109.97 176.845 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 33' ' ' GLN . . . . . . . . . . . . . 74.0 mt-30 -79.19 -30.15 43.24 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 115.722 -0.672 . . . . 0.0 110.117 178.141 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -92.34 1.07 57.45 Favored 'General case' 0 C--N 1.326 -0.453 0 CA-C-N 115.744 -0.662 . . . . 0.0 111.714 -177.062 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 69.72 38.89 77.51 Favored Glycine 0 C--N 1.332 0.314 0 C-N-CA 121.084 -0.579 . . . . 0.0 112.216 -179.771 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 36' ' ' MET . . . . . . . . . . . . . 51.3 mtp -141.3 174.73 10.26 Favored 'General case' 0 C--N 1.324 -0.508 0 N-CA-C 110.167 -0.308 . . . . 0.0 110.167 -175.226 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 37' ' ' GLN . . . . . . . . . . . . . 41.9 tt0 -154.86 154.42 32.67 Favored 'General case' 0 C--N 1.326 -0.44 0 N-CA-C 109.135 -0.691 . . . . 0.0 109.135 172.04 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 38' ' ' VAL . . . . . 0.407 ' HB ' ' HG3' ' A' ' 27' ' ' MET . 7.4 p -90.6 146.35 6.31 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.398 0 CA-C-O 120.877 0.37 . . . . 0.0 111.412 -174.622 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 39' ' ' PHE . . . . . . . . . . . . . 65.2 t80 -138.88 134.9 33.89 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.041 -0.527 . . . . 0.0 109.957 -179.793 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 40' ' ' PHE . . . . . . . . . . . . . 51.1 m-85 -117.44 179.17 4.13 Favored 'General case' 0 C--N 1.324 -0.51 0 CA-C-N 116.306 -0.406 . . . . 0.0 110.542 -177.796 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 3.9 m-20 -68.87 155.56 40.03 Favored 'General case' 0 C--N 1.324 -0.501 0 N-CA-C 109.552 -0.536 . . . . 0.0 109.552 173.18 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 48.5 mt-10 -75.91 87.86 2.89 Favored 'General case' 0 C--N 1.324 -0.533 0 N-CA-C 109.479 -0.563 . . . . 0.0 109.479 176.566 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 43' ' ' VAL . . . . . . . . . . . . . 23.9 m -138.96 147.84 24.5 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.643 0 CA-C-N 115.597 -0.729 . . . . 0.0 110.295 -179.24 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 21.6 ttmm -91.85 88.96 6.84 Favored 'General case' 0 C--N 1.317 -0.817 0 N-CA-C 109.145 -0.687 . . . . 0.0 109.145 177.412 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 51.1 tp -136.81 133.68 36.19 Favored 'General case' 0 C--N 1.324 -0.529 0 CA-C-N 115.96 -0.564 . . . . 0.0 111.099 -173.72 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 15.6 m-20 -111.14 155.83 22.29 Favored 'General case' 0 C--N 1.323 -0.578 0 CA-C-N 115.885 -0.598 . . . . 0.0 110.513 174.724 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 112.07 -0.97 26.99 Favored Glycine 0 N--CA 1.45 -0.373 0 C-N-CA 120.833 -0.699 . . . . 0.0 112.665 177.446 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 48' ' ' MET . . . . . . . . . . . . . 71.2 mtm -79.29 118.62 21.38 Favored 'General case' 0 C--N 1.325 -0.488 0 N-CA-C 109.807 -0.442 . . . . 0.0 109.807 -179.875 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 49' ' ' GLN . . . . . 0.49 ' HA ' ' N ' ' A' ' 23' ' ' LEU . 4.1 pt20 -154.18 160.73 42.01 Favored 'General case' 0 C--N 1.322 -0.618 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.436 -176.964 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 50' ' ' ALA . . . . . 0.402 ' HA ' ' O ' ' A' ' 66' ' ' LEU . . . -90.81 158.58 16.75 Favored 'General case' 0 C--N 1.321 -0.634 0 CA-C-N 115.677 -0.692 . . . . 0.0 110.472 -179.473 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -89.67 -176.96 5.16 Favored 'General case' 0 C--N 1.323 -0.578 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.363 177.418 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -72.6 90.67 1.37 Allowed 'General case' 0 C--N 1.328 -0.343 0 CA-C-O 121.443 0.64 . . . . 0.0 110.344 178.53 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 53' ' ' LEU . . . . . 0.411 ' HB3' ' HB ' ' A' ' 18' ' ' ILE . 1.1 tm? -83.05 112.18 19.55 Favored 'General case' 0 C--N 1.321 -0.663 0 CA-C-N 115.356 -0.838 . . . . 0.0 110.416 -176.053 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 54' ' ' ASN . . . . . 0.42 ' HA ' ' O ' ' A' ' 16' ' ' PHE . 26.5 t-20 -155.19 105.33 2.5 Favored 'General case' 0 C--N 1.324 -0.5 0 N-CA-C 109.577 -0.527 . . . . 0.0 109.577 174.889 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . 178.55 158.62 21.51 Favored Glycine 0 N--CA 1.45 -0.411 0 C-N-CA 120.309 -0.948 . . . . 0.0 112.872 179.567 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 56' ' ' SER . . . . . 0.441 ' HA ' ' HA ' ' A' ' 15' ' ' ASN . 21.7 m -96.82 104.31 16.3 Favored 'General case' 0 C--N 1.329 -0.316 0 N-CA-C 109.486 -0.561 . . . . 0.0 109.486 174.793 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 57' ' ' MET . . . . . . . . . . . . . 11.8 ptt? -156.3 178.93 9.74 Favored 'General case' 0 C--N 1.322 -0.608 0 CA-C-N 116.145 -0.48 . . . . 0.0 111.129 -171.6 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 39.5 m -95.73 -174.91 3.28 Favored 'General case' 0 C--N 1.324 -0.542 0 CA-C-N 116.309 -0.405 . . . . 0.0 110.965 -179.312 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 59' ' ' VAL . . . . . . . . . . . . . 16.5 t -57.67 -46.47 86.61 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.187 0 CA-C-N 116.504 -0.316 . . . . 0.0 110.878 -176.484 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 60' ' ' GLU . . . . . 0.502 ' O ' ' HG3' ' A' ' 64' ' ' ARG . 3.3 mp0 -56.66 -62.27 1.85 Allowed 'General case' 0 C--N 1.323 -0.557 0 CA-C-N 116.042 -0.527 . . . . 0.0 111.348 -176.837 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 61' ' ' GLN . . . . . 0.494 ' OE1' ' HD2' ' A' ' 64' ' ' ARG . 15.0 mm100 -60.22 -37.52 80.57 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.436 -0.347 . . . . 0.0 111.426 -179.296 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . -58.98 -51.9 56.51 Favored Glycine 0 N--CA 1.448 -0.517 0 C-N-CA 120.83 -0.7 . . . . 0.0 111.867 178.088 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 63' ' ' LEU . . . . . 0.45 ' HA ' ' HB2' ' A' ' 66' ' ' LEU . 4.0 mm? -65.81 -39.15 90.61 Favored 'General case' 0 C--N 1.324 -0.518 0 CA-C-O 120.746 0.308 . . . . 0.0 111.496 -179.834 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 64' ' ' ARG . . . . . 0.502 ' HG3' ' O ' ' A' ' 60' ' ' GLU . 92.8 mtt180 -54.3 -43.35 71.01 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-N 116.145 -0.479 . . . . 0.0 111.566 178.332 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 65' ' ' ARG . . . . . . . . . . . . . 64.0 mtp180 -80.31 -16.67 54.09 Favored 'General case' 0 C--N 1.324 -0.513 0 CA-C-O 120.994 0.426 . . . . 0.0 111.166 178.754 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 66' ' ' LEU . . . . . 0.471 ' HB3' ' HE1' ' A' ' 27' ' ' MET . 8.2 mt -87.08 -48.68 7.88 Favored 'General case' 0 C--N 1.321 -0.672 0 CA-C-N 115.938 -0.573 . . . . 0.0 112.387 -175.158 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 67' ' ' ILE . . . . . 0.452 ' HB ' ' OD1' ' A' ' 111' ' ' ASN . 57.8 mt -90.46 -64.8 1.1 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 N-CA-C 113.431 0.9 . . . . 0.0 113.431 -168.647 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 68' ' ' GLY . . . . . 0.438 ' C ' ' H ' ' A' ' 70' ' ' ASN . . . -113.77 -62.32 0.42 Allowed Glycine 0 N--CA 1.447 -0.619 0 C-N-CA 119.152 -1.499 . . . . 0.0 114.958 -167.303 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . 83.81 -21.92 8.72 Favored Glycine 0 N--CA 1.45 -0.427 0 N-CA-C 110.204 -1.159 . . . . 0.0 110.204 -165.512 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 70' ' ' ASN . . . . . 0.438 ' H ' ' C ' ' A' ' 68' ' ' GLY . 14.0 m120 -102.15 161.67 22.68 Favored Pre-proline 0 C--N 1.33 -0.257 0 N-CA-C 109.219 -0.66 . . . . 0.0 109.219 173.491 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 71' ' ' PRO . . . . . . . . . . . . . 24.3 Cg_exo -64.01 97.37 0.23 Allowed 'Trans proline' 0 C--N 1.348 0.515 0 C-N-CA 122.216 1.944 . . . . 0.0 112.602 179.872 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 72' ' ' VAL . . . . . . . . . . . . . 14.1 t -141.49 151.23 19.41 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.341 0 N-CA-C 107.107 -1.442 . . . . 0.0 107.107 175.027 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -103.48 125.69 50.2 Favored 'General case' 0 C--N 1.321 -0.643 0 CA-C-N 118.622 0.647 . . . . 0.0 111.952 -170.151 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 74' ' ' PHE . . . . . . . . . . . . . 24.9 p90 -109.32 123.48 49.36 Favored 'General case' 0 C--N 1.324 -0.533 0 N-CA-C 109.498 -0.556 . . . . 0.0 109.498 174.879 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 75' ' ' ARG . . . . . . . . . . . . . 39.1 ttm180 -109.59 115.89 30.74 Favored 'General case' 0 C--N 1.319 -0.751 0 CA-C-N 115.932 -0.576 . . . . 0.0 110.422 -176.635 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 76' ' ' LEU . . . . . . . . . . . . . 2.2 mm? -81.95 99.58 9.18 Favored 'General case' 0 C--N 1.325 -0.482 0 CA-C-N 115.942 -0.572 . . . . 0.0 110.223 -179.388 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 77' ' ' GLN . . . . . . . . . . . . . 79.6 mm-40 -76.49 130.89 75.69 Favored Pre-proline 0 C--N 1.321 -0.639 0 CA-C-N 116.036 -0.529 . . . . 0.0 110.062 177.368 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 78' ' ' PRO . . . . . . . . . . . . . 37.9 Cg_endo -66.26 -0.84 4.61 Favored 'Trans proline' 0 C--N 1.343 0.24 0 C-N-CA 122.817 2.345 . . . . 0.0 112.096 178.851 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 79' ' ' GLN . . . . . . . . . . . . . 45.1 mt-30 -87.01 -0.42 56.6 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-N 115.418 -0.81 . . . . 0.0 109.999 176.01 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . 90.05 33.87 8.62 Favored Glycine 0 N--CA 1.448 -0.534 0 CA-C-N 115.767 -0.651 . . . . 0.0 112.257 179.074 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 81' ' ' GLN . . . . . . . . . . . . . 16.1 mm100 -132.22 134.76 45.72 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-O 120.975 0.416 . . . . 0.0 111.309 -176.695 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 82' ' ' ILE . . . . . . . . . . . . . 34.3 mt -101.54 98.92 7.44 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.575 0 N-CA-C 109.19 -0.67 . . . . 0.0 109.19 175.008 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 83' ' ' VAL . . . . . . . . . . . . . 47.9 t -92.86 115.68 32.25 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.706 0 CA-C-O 120.837 0.351 . . . . 0.0 110.473 -176.909 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 84' ' ' LEU . . . . . . . . . . . . . 31.3 tp -86.75 117.44 25.5 Favored 'General case' 0 C--N 1.324 -0.534 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.267 178.935 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 85' ' ' SER . . . . . . . . . . . . . 19.2 m -106.54 133.36 51.33 Favored 'General case' 0 C--N 1.32 -0.717 0 CA-C-N 116.255 -0.43 . . . . 0.0 109.981 -179.322 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 86' ' ' ARG . . . . . . . . . . . . . 99.7 mtt180 -81.41 70.49 8.28 Favored 'General case' 0 C--N 1.325 -0.491 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.243 -177.796 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 87' ' ' LEU . . . . . . . . . . . . . 8.9 mp -77.11 124.71 87.27 Favored Pre-proline 0 C--N 1.325 -0.497 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.056 174.707 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 88' ' ' PRO . . . . . . . . . . . . . 62.4 Cg_endo -73.34 164.44 35.18 Favored 'Trans proline' 0 N--CA 1.461 -0.429 0 C-N-CA 122.895 2.396 . . . . 0.0 112.323 -178.998 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 89' ' ' THR . . . . . . . . . . . . . 27.4 m -66.83 104.46 1.35 Allowed 'General case' 0 C--N 1.323 -0.549 0 CA-C-N 115.803 -0.635 . . . . 0.0 110.1 176.918 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 90' ' ' ALA . . . . . . . . . . . . . . . -73.99 174.83 8.03 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.097 -0.501 . . . . 0.0 111.067 -177.027 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 91' ' ' ASN . . . . . . . . . . . . . 63.6 t30 -59.7 -44.76 93.54 Favored 'General case' 0 C--N 1.325 -0.469 0 CA-C-O 120.744 0.306 . . . . 0.0 110.715 -176.198 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 92' ' ' GLY . . . . . . . . . . . . . . . -65.11 -19.13 65.65 Favored Glycine 0 N--CA 1.452 -0.256 0 CA-C-N 115.926 -0.579 . . . . 0.0 112.626 -179.914 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 28.4 m-20 -88.22 -2.78 58.8 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-O 121.012 0.434 . . . . 0.0 110.358 178.266 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 94' ' ' GLY . . . . . . . . . . . . . . . 95.3 23.29 19.89 Favored Glycine 0 N--CA 1.448 -0.544 0 C-N-CA 120.83 -0.7 . . . . 0.0 111.813 -176.905 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 95' ' ' GLY . . . . . . . . . . . . . . . -87.41 -115.54 1.09 Allowed Glycine 0 N--CA 1.448 -0.559 0 C-N-CA 120.861 -0.685 . . . . 0.0 111.824 177.082 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 96' ' ' ALA . . . . . . . . . . . . . . . -151.62 179.69 8.17 Favored 'General case' 0 C--N 1.322 -0.599 0 CA-C-O 120.449 0.166 . . . . 0.0 110.598 -179.803 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 97' ' ' LEU . . . . . . . . . . . . . 93.9 mt -69.89 172.34 7.89 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-N 116.478 -0.328 . . . . 0.0 110.663 178.379 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 98' ' ' ALA . . . . . . . . . . . . . . . 74.68 -42.15 0.49 Allowed 'General case' 0 N--CA 1.467 0.41 0 C-N-CA 123.706 0.803 . . . . 0.0 109.988 -174.447 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 99' ' ' LEU . . . . . . . . . . . . . 96.1 mt -81.22 -4.38 55.3 Favored 'General case' 0 N--CA 1.449 -0.504 0 CA-C-N 115.872 -0.603 . . . . 0.0 109.767 171.71 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 100' ' ' ASP . . . . . . . . . . . . . 5.1 p-10 -70.5 -18.97 62.96 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 115.695 -0.684 . . . . 0.0 109.845 177.392 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 14.7 m -78.23 -2.53 38.23 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 115.533 -0.758 . . . . 0.0 111.035 179.386 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 102' ' ' LEU . . . . . . . . . . . . . 33.7 tp -80.71 7.63 9.83 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 121.387 0.613 . . . . 0.0 110.228 179.274 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 103' ' ' THR . . . . . . . . . . . . . 12.1 t -75.59 -14.33 60.38 Favored 'General case' 0 C--N 1.325 -0.464 0 CA-C-N 115.625 -0.716 . . . . 0.0 110.339 176.735 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 104' ' ' VAL . . . . . . . . . . . . . 28.0 m -76.27 147.96 7.44 Favored 'Isoleucine or valine' 0 C--O 1.233 0.223 0 CA-C-N 116.211 -0.45 . . . . 0.0 109.966 176.956 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 105' ' ' LEU . . . . . . . . . . . . . 95.5 mt 54.72 49.66 17.52 Favored 'General case' 0 C--O 1.234 0.266 0 CA-C-O 121.244 0.545 . . . . 0.0 109.868 -175.441 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 106' ' ' GLY . . . . . . . . . . . . . . . -72.3 90.73 0.53 Allowed Glycine 0 N--CA 1.447 -0.596 0 CA-C-N 115.407 -0.815 . . . . 0.0 113.043 -174.8 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 107' ' ' ALA . . . . . . . . . . . . . . . -87.95 143.81 26.9 Favored 'General case' 0 C--N 1.32 -0.689 0 N-CA-C 109.946 -0.39 . . . . 0.0 109.946 175.979 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 108' ' ' GLY . . . . . . . . . . . . . . . -82.97 2.86 86.02 Favored Glycine 0 N--CA 1.449 -0.498 0 C-N-CA 120.964 -0.636 . . . . 0.0 112.119 179.393 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 109' ' ' GLY . . . . . . . . . . . . . . . -80.54 97.21 1.7 Allowed Glycine 0 N--CA 1.442 -0.926 0 C-N-CA 120.527 -0.844 . . . . 0.0 111.876 178.892 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 110' ' ' ASN . . . . . 0.497 ' O ' ' HG2' ' A' ' 64' ' ' ARG . 5.8 p-10 -142.72 136.51 29.03 Favored 'General case' 0 C--N 1.319 -0.726 0 N-CA-C 108.412 -0.959 . . . . 0.0 108.412 178.046 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 111' ' ' ASN . . . . . 0.455 ' HA ' ' HG2' ' A' ' 64' ' ' ARG . 64.7 m-80 -80.81 50.65 1.39 Allowed 'General case' 0 C--N 1.325 -0.498 0 CA-C-O 120.717 0.294 . . . . 0.0 111.734 -175.072 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 112' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.249 1.065 0 CA-C-O 118.47 -0.776 . . . . 0.0 110.019 179.189 . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 37.0 t . . . . . 0 N--CA 1.477 0.897 0 CA-C-O 120.87 0.366 . . . . 0.0 110.347 . . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' A' A ' 7' ' ' MET . . . . . . . . . . . . . 0.3 OUTLIER -114.05 95.1 5.13 Favored 'General case' 0 C--N 1.326 -0.44 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.493 177.837 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -63.69 -24.34 67.74 Favored 'General case' 0 C--N 1.326 -0.454 0 CA-C-O 121.115 0.483 . . . . 0.0 110.863 178.332 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 9' ' ' GLN . . . . . . . . . . . . . 13.9 pt20 -68.06 -14.88 63.32 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 115.766 -0.652 . . . . 0.0 111.118 178.994 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -99.66 4.14 45.49 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-O 121.112 0.482 . . . . 0.0 110.607 179.52 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -114.62 99.46 7.55 Favored 'General case' 0 C--N 1.323 -0.57 0 CA-C-N 115.916 -0.584 . . . . 0.0 110.905 -177.5 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 34.8 tt0 -79.11 99.63 7.03 Favored 'General case' 0 C--N 1.325 -0.492 0 CA-C-O 121.037 0.446 . . . . 0.0 109.991 177.381 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 6.1 pt20 -127.2 140.64 52.1 Favored 'General case' 0 C--N 1.319 -0.75 0 CA-C-N 116.077 -0.51 . . . . 0.0 110.681 179.761 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 14' ' ' LYS . . . . . 0.423 ' O ' ' HA ' ' A' ' 56' ' ' SER . 34.0 mmtp -112.22 154.28 25.81 Favored 'General case' 0 C--N 1.323 -0.569 0 CA-C-N 115.853 -0.612 . . . . 0.0 109.702 -179.143 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 15' ' ' ASN . . . . . . . . . . . . . 13.3 t-20 -87.04 106.48 17.87 Favored 'General case' 0 C--N 1.322 -0.607 0 CA-C-N 116.343 -0.389 . . . . 0.0 110.122 -179.068 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 16' ' ' PHE . . . . . 0.474 ' O ' ' HA ' ' A' ' 54' ' ' ASN . 33.1 m-85 -102.42 135.9 43.21 Favored 'General case' 0 C--N 1.325 -0.47 0 CA-C-N 116.371 -0.377 . . . . 0.0 110.747 -178.02 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 48.7 m-80 -128.81 89.89 2.96 Favored 'General case' 0 C--N 1.325 -0.462 0 CA-C-O 121.213 0.53 . . . . 0.0 109.686 177.287 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 18' ' ' ILE . . . . . . . . . . . . . 19.6 mm -117.78 105.61 18.31 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.698 0 CA-C-N 115.807 -0.633 . . . . 0.0 110.436 -175.66 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -69.68 147.78 50.14 Favored 'General case' 0 C--N 1.323 -0.575 0 N-CA-C 108.295 -1.002 . . . . 0.0 108.295 170.945 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -65.62 102.97 0.79 Allowed 'General case' 0 C--N 1.33 -0.257 0 CA-C-O 121.476 0.655 . . . . 0.0 110.897 -173.295 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 21' ' ' GLN . . . . . . . . . . . . . 77.7 mt-30 -105.64 169.68 6.73 Favored Pre-proline 0 C--N 1.32 -0.707 0 CA-C-N 114.986 -1.007 . . . . 0.0 110.175 177.611 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 22' ' ' PRO . . . . . . . . . . . . . 53.1 Cg_exo -56.51 143.45 87.85 Favored 'Trans proline' 0 C--N 1.345 0.359 0 C-N-CA 121.855 1.704 . . . . 0.0 110.84 168.356 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 23' ' ' LEU . . . . . 0.437 ' CD2' ' HE2' ' A' ' 27' ' ' MET . 0.5 OUTLIER -53.68 -46.47 70.67 Favored 'General case' 0 C--N 1.323 -0.544 0 N-CA-C 112.409 0.522 . . . . 0.0 112.409 -168.141 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 49.8 mt-30 -56.73 -44.02 81.23 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.416 -0.356 . . . . 0.0 111.844 -179.126 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 25' ' ' SER . . . . . 0.426 ' O ' ' HG2' ' A' ' 29' ' ' ARG . 6.3 p -83.57 -21.02 32.76 Favored 'General case' 0 C--N 1.324 -0.53 0 C-N-CA 121.051 -0.26 . . . . 0.0 111.268 -177.837 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -59.38 -57.11 14.44 Favored 'General case' 0 C--O 1.234 0.241 0 CA-C-O 120.901 0.381 . . . . 0.0 111.033 178.543 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 27' ' ' MET . . . . . 0.662 ' HB2' ' CG1' ' A' ' 38' ' ' VAL . 45.3 mtt -72.78 -24.55 60.95 Favored 'General case' 0 CA--C 1.507 -0.674 0 N-CA-C 109.918 -0.401 . . . . 0.0 109.918 177.811 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 28' ' ' LEU . . . . . 0.553 ' O ' ' HG3' ' A' ' 32' ' ' GLU . 64.6 tp -56.68 -52.36 65.24 Favored 'General case' 0 C--N 1.323 -0.569 0 N-CA-C 109.031 -0.729 . . . . 0.0 109.031 174.663 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 29' ' ' ARG . . . . . 0.454 ' HD3' ' OE1' ' A' ' 32' ' ' GLU . 23.1 mmt180 -63.48 -45.07 92.43 Favored 'General case' 0 C--N 1.326 -0.443 0 CA-C-N 116.324 -0.398 . . . . 0.0 111.703 -178.723 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 30' ' ' PHE . . . . . 0.456 ' CE2' HD21 ' A' ' 63' ' ' LEU . 28.0 t80 -65.87 -54.31 28.24 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-O 121.131 0.491 . . . . 0.0 111.113 178.901 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -70.02 -18.01 63.29 Favored 'General case' 0 C--N 1.322 -0.62 0 CA-C-N 116.054 -0.521 . . . . 0.0 111.16 -175.79 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 32' ' ' GLU . . . . . 0.553 ' HG3' ' O ' ' A' ' 28' ' ' LEU . 11.5 mt-10 -54.06 -41.94 68.7 Favored 'General case' 0 N--CA 1.471 0.622 0 CA-C-O 120.766 0.317 . . . . 0.0 111.211 173.48 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 33' ' ' GLN . . . . . . . . . . . . . 28.9 pt20 -90.39 -10.47 43.79 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-O 120.732 0.301 . . . . 0.0 111.162 -178.983 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -94.84 -30.1 14.38 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.501 -0.318 . . . . 0.0 111.749 -179.188 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 107.33 29.24 4.58 Favored Glycine 0 CA--C 1.519 0.31 0 C-N-CA 120.999 -0.62 . . . . 0.0 112.73 178.677 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 36' ' ' MET . . . . . . . . . . . . . 67.3 mtm -138.31 175.14 9.83 Favored 'General case' 0 C--N 1.327 -0.386 0 N-CA-C 110.401 -0.222 . . . . 0.0 110.401 -177.036 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 37' ' ' GLN . . . . . . . . . . . . . 9.3 tt0 -147.78 162.83 38.43 Favored 'General case' 0 C--N 1.327 -0.407 0 N-CA-C 109.569 -0.53 . . . . 0.0 109.569 177.569 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 38' ' ' VAL . . . . . 0.662 ' CG1' ' HB2' ' A' ' 27' ' ' MET . 21.8 m -75.92 148.59 7.17 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.361 0 CA-C-O 120.969 0.414 . . . . 0.0 111.455 -177.633 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 39' ' ' PHE . . . . . . . . . . . . . 72.9 t80 -139.8 145.66 38.45 Favored 'General case' 0 C--N 1.323 -0.573 0 CA-C-N 115.809 -0.632 . . . . 0.0 109.882 174.394 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 40' ' ' PHE . . . . . . . . . . . . . 37.8 p90 -153.08 153.95 33.86 Favored 'General case' 0 C--N 1.319 -0.721 0 N-CA-C 109.073 -0.714 . . . . 0.0 109.073 179.309 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 23.8 m-20 -90.48 -164.83 1.23 Allowed 'General case' 0 C--N 1.323 -0.556 0 N-CA-C 109.663 -0.495 . . . . 0.0 109.663 178.254 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 35.3 mt-10 -71.8 88.48 1.01 Allowed 'General case' 0 C--N 1.326 -0.422 0 CA-C-O 121.364 0.602 . . . . 0.0 110.439 179.196 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 43' ' ' VAL . . . . . . . . . . . . . 5.9 p -146.37 134.23 15.39 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.573 0 CA-C-N 115.422 -0.808 . . . . 0.0 109.644 -179.795 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 40.0 ttpt -73.62 107.81 6.09 Favored 'General case' 0 C--N 1.324 -0.509 0 CA-C-O 121.129 0.49 . . . . 0.0 110.701 -178.324 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 84.5 mt -88.59 98.17 11.51 Favored 'General case' 0 C--N 1.322 -0.593 0 CA-C-N 115.772 -0.649 . . . . 0.0 109.284 176.725 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 30.8 t70 -127.32 111.58 14.07 Favored 'General case' 0 C--N 1.321 -0.634 0 CA-C-N 115.868 -0.606 . . . . 0.0 110.443 -176.391 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 83.46 21.74 57.76 Favored Glycine 0 N--CA 1.448 -0.508 0 C-N-CA 120.836 -0.697 . . . . 0.0 111.786 -178.543 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 48' ' ' MET . . . . . . . . . . . . . 25.9 mmt -87.03 119.12 26.9 Favored 'General case' 0 C--N 1.326 -0.429 0 N-CA-C 110.195 -0.298 . . . . 0.0 110.195 -178.455 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -146.27 173.88 11.85 Favored 'General case' 0 C--N 1.322 -0.6 0 CA-C-N 116.331 -0.395 . . . . 0.0 110.838 -179.049 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -105.13 177.67 4.78 Favored 'General case' 0 C--N 1.321 -0.632 0 CA-C-O 121.326 0.584 . . . . 0.0 111.421 -176.772 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -99.68 171.16 8.08 Favored 'General case' 0 C--N 1.322 -0.599 0 CA-C-N 115.444 -0.798 . . . . 0.0 110.236 178.899 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -82.08 89.77 6.48 Favored 'General case' 0 C--N 1.325 -0.495 0 CA-C-O 120.967 0.413 . . . . 0.0 110.471 179.767 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 31.9 tp -97.65 120.69 38.49 Favored 'General case' 0 C--N 1.322 -0.609 0 CA-C-N 116.038 -0.528 . . . . 0.0 110.892 -179.965 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 54' ' ' ASN . . . . . 0.474 ' HA ' ' O ' ' A' ' 16' ' ' PHE . 3.0 p-10 -153.67 98.76 2.24 Favored 'General case' 0 C--N 1.32 -0.7 0 CA-C-O 121.553 0.692 . . . . 0.0 109.745 173.369 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . 179.3 178.85 48.58 Favored Glycine 0 N--CA 1.443 -0.861 0 CA-C-N 115.609 -0.723 . . . . 0.0 111.754 -176.632 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 56' ' ' SER . . . . . 0.423 ' HA ' ' O ' ' A' ' 14' ' ' LYS . 14.6 m -103.75 115.71 30.97 Favored 'General case' 0 C--N 1.319 -0.72 0 CA-C-O 120.723 0.297 . . . . 0.0 110.329 -179.645 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 57' ' ' MET . . . . . . . . . . . . . 20.1 ptp -157.88 173.15 17.23 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 116.399 -0.364 . . . . 0.0 110.497 -178.097 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 58' ' ' SER . . . . . 0.488 ' HB2' ' OE1' ' A' ' 61' ' ' GLN . 16.3 m -83.04 177.72 8.47 Favored 'General case' 0 C--N 1.326 -0.422 0 N-CA-C 110.413 -0.217 . . . . 0.0 110.413 -178.967 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 59' ' ' VAL . . . . . . . . . . . . . 24.7 t -61.68 -44.15 98.25 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.338 0 CA-C-O 120.746 0.308 . . . . 0.0 110.723 -177.811 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 60' ' ' GLU . . . . . 0.581 ' HB3' ' NH1' ' A' ' 64' ' ' ARG . 45.6 mt-10 -57.68 -56.35 23.01 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.046 -0.524 . . . . 0.0 111.577 179.3 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 61' ' ' GLN . . . . . 0.488 ' OE1' ' HB2' ' A' ' 58' ' ' SER . 24.6 mp0 -61.14 -42.29 98.27 Favored 'General case' 0 C--N 1.323 -0.553 0 N-CA-C 109.973 -0.38 . . . . 0.0 109.973 178.384 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 62' ' ' GLY . . . . . 0.533 ' O ' ' HB2' ' A' ' 66' ' ' LEU . . . -55.81 -58.69 12.83 Favored Glycine 0 C--O 1.219 -0.796 0 CA-C-N 115.674 -0.694 . . . . 0.0 112.611 -179.391 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 63' ' ' LEU . . . . . 0.46 ' HG ' ' CE2' ' A' ' 74' ' ' PHE . 4.2 mm? -60.87 -48.15 83.13 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-N 116.859 0.33 . . . . 0.0 111.809 -177.354 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 64' ' ' ARG . . . . . 0.581 ' NH1' ' HB3' ' A' ' 60' ' ' GLU . 66.3 mtt180 -62.5 -36.23 81.9 Favored 'General case' 0 C--N 1.325 -0.499 0 CA-C-N 116.562 -0.29 . . . . 0.0 110.868 -176.76 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 65' ' ' ARG . . . . . 0.475 ' HA ' ' HA2' ' A' ' 69' ' ' GLY . 8.3 tpp180 -78.64 -38.49 39.49 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-O 120.999 0.428 . . . . 0.0 110.775 177.699 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 66' ' ' LEU . . . . . 0.533 ' HB2' ' O ' ' A' ' 62' ' ' GLY . 5.8 tt -59.81 -48.84 80.07 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-N 115.257 -0.883 . . . . 0.0 110.926 -177.57 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 67' ' ' ILE . . . . . 0.416 HG13 ' O ' ' A' ' 63' ' ' LEU . 18.1 mt -77.78 -64.37 0.91 Allowed 'Isoleucine or valine' 0 C--N 1.322 -0.598 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.38 -173.293 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . -116.3 -44.71 0.6 Allowed Glycine 0 N--CA 1.451 -0.353 0 C-N-CA 120.764 -0.732 . . . . 0.0 113.9 -177.251 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 69' ' ' GLY . . . . . 0.475 ' HA2' ' HA ' ' A' ' 65' ' ' ARG . . . 105.25 -2.36 40.35 Favored Glycine 0 N--CA 1.45 -0.412 0 N-CA-C 111.063 -0.815 . . . . 0.0 111.063 -167.724 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 70' ' ' ASN . . . . . . . . . . . . . 40.8 m-80 -101.41 150.79 37.51 Favored Pre-proline 0 C--N 1.329 -0.319 0 CA-C-N 115.514 -0.343 . . . . 0.0 110.496 -179.741 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 71' ' ' PRO . . . . . . . . . . . . . 37.4 Cg_exo -61.37 120.37 8.0 Favored 'Trans proline' 0 C--N 1.344 0.324 0 C-N-CA 122.662 2.241 . . . . 0.0 110.83 172.356 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 72' ' ' VAL . . . . . 0.533 HG13 ' ND2' ' A' ' 111' ' ' ASN . 9.1 p -151.39 161.62 3.28 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 CA-C-N 116.58 -0.282 . . . . 0.0 110.266 -171.457 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -110.99 128.07 55.72 Favored 'General case' 0 N--CA 1.447 -0.576 0 CA-C-O 120.862 0.363 . . . . 0.0 110.061 -177.641 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 74' ' ' PHE . . . . . 0.473 ' HZ ' ' HA ' ' A' ' 60' ' ' GLU . 31.0 p90 -133.45 138.24 46.1 Favored 'General case' 0 C--N 1.317 -0.824 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.125 -178.071 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 75' ' ' ARG . . . . . 0.563 ' NH2' HD23 ' A' ' 87' ' ' LEU . 38.9 mmt180 -87.02 133.77 33.55 Favored 'General case' 0 C--N 1.322 -0.607 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.368 -177.93 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 76' ' ' LEU . . . . . . . . . . . . . 96.0 mt -118.68 111.9 19.11 Favored 'General case' 0 C--N 1.32 -0.692 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.231 177.322 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 77' ' ' GLN . . . . . . . . . . . . . 54.2 mt-30 -104.57 114.25 64.24 Favored Pre-proline 0 C--N 1.32 -0.711 0 N-CA-C 109.298 -0.63 . . . . 0.0 109.298 170.598 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 78' ' ' PRO . . . . . . . . . . . . . 79.2 Cg_exo -42.07 -46.16 7.16 Favored 'Trans proline' 0 C--N 1.351 0.68 0 C-N-CA 123.861 3.041 . . . . 0.0 113.915 -171.341 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 79' ' ' GLN . . . . . . . . . . . . . 12.1 pt20 -118.16 29.12 7.96 Favored 'General case' 0 C--N 1.325 -0.464 0 CA-C-O 120.99 0.424 . . . . 0.0 110.654 179.033 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . -124.51 -111.24 1.9 Allowed Glycine 0 N--CA 1.443 -0.882 0 C-N-CA 120.732 -0.747 . . . . 0.0 112.193 -178.964 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 81' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -143.0 169.83 16.82 Favored 'General case' 0 C--N 1.322 -0.603 0 CA-C-O 121.12 0.486 . . . . 0.0 111.712 -171.959 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 82' ' ' ILE . . . . . . . . . . . . . 53.0 mt -115.93 122.35 69.37 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 115.154 -0.93 . . . . 0.0 109.742 176.354 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 83' ' ' VAL . . . . . . . . . . . . . 16.6 m -128.48 142.38 44.04 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.508 0 CA-C-O 120.892 0.377 . . . . 0.0 110.576 176.838 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 84' ' ' LEU . . . . . . . . . . . . . 21.1 tp -102.45 141.75 34.76 Favored 'General case' 0 C--N 1.321 -0.631 0 CA-C-N 116.011 -0.541 . . . . 0.0 110.077 -176.11 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 85' ' ' SER . . . . . . . . . . . . . 23.8 m -152.27 145.56 24.72 Favored 'General case' 0 C--O 1.233 0.231 0 CA-C-O 121.127 0.489 . . . . 0.0 111.126 -177.601 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 86' ' ' ARG . . . . . . . . . . . . . 15.4 mmm180 -88.74 82.85 6.74 Favored 'General case' 0 C--N 1.323 -0.561 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.506 174.452 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 87' ' ' LEU . . . . . 0.563 HD23 ' NH2' ' A' ' 75' ' ' ARG . 8.1 mp -74.39 121.7 85.82 Favored Pre-proline 0 C--N 1.326 -0.42 0 CA-C-O 120.884 0.374 . . . . 0.0 110.35 177.189 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 88' ' ' PRO . . . . . . . . . . . . . 89.0 Cg_endo -85.94 134.97 4.61 Favored 'Trans proline' 0 N--CA 1.457 -0.642 0 C-N-CA 122.859 2.373 . . . . 0.0 113.416 -176.127 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 89' ' ' THR . . . . . . . . . . . . . 14.6 t -83.76 147.49 27.58 Favored 'General case' 0 C--N 1.322 -0.627 0 N-CA-C 109.1 -0.704 . . . . 0.0 109.1 172.245 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 90' ' ' ALA . . . . . 0.434 ' CB ' ' HB3' ' A' ' 93' ' ' ASP . . . -74.52 109.5 8.05 Favored 'General case' 0 C--N 1.32 -0.686 0 CA-C-O 121.018 0.437 . . . . 0.0 111.369 -175.888 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 91' ' ' ASN . . . . . . . . . . . . . 9.9 t30 -78.52 -43.64 26.32 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-N 115.898 -0.592 . . . . 0.0 111.005 -177.217 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 92' ' ' GLY . . . . . . . . . . . . . . . -73.83 -35.51 54.4 Favored Glycine 0 N--CA 1.452 -0.271 0 C-N-CA 120.859 -0.686 . . . . 0.0 111.977 -178.659 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 93' ' ' ASP . . . . . 0.434 ' HB3' ' CB ' ' A' ' 90' ' ' ALA . 7.9 t70 -68.57 -26.18 65.26 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-O 121.123 0.487 . . . . 0.0 110.634 177.176 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 94' ' ' GLY . . . . . . . . . . . . . . . 96.97 -28.31 14.36 Favored Glycine 0 N--CA 1.449 -0.48 0 C-N-CA 121.004 -0.617 . . . . 0.0 112.409 -178.611 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 95' ' ' GLY . . . . . . . . . . . . . . . 115.81 66.8 0.41 Allowed Glycine 0 N--CA 1.445 -0.724 0 C-N-CA 120.369 -0.92 . . . . 0.0 112.664 176.62 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 96' ' ' ALA . . . . . 0.456 ' C ' ' H ' ' A' ' 98' ' ' ALA . . . -64.21 170.52 3.66 Favored 'General case' 0 C--N 1.325 -0.48 0 CA-C-O 120.733 0.301 . . . . 0.0 110.52 174.179 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 97' ' ' LEU . . . . . . . . . . . . . 1.5 pp -74.18 38.47 0.11 Allowed 'General case' 0 CA--C 1.534 0.339 0 CA-C-O 121.483 0.658 . . . . 0.0 112.372 -176.157 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 98' ' ' ALA . . . . . 0.456 ' H ' ' C ' ' A' ' 96' ' ' ALA . . . -129.17 -13.65 4.45 Favored 'General case' 0 C--N 1.321 -0.669 0 CA-C-N 115.558 -0.746 . . . . 0.0 109.501 172.832 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 99' ' ' LEU . . . . . . . . . . . . . 2.6 mm? -118.59 -9.22 10.31 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 115.522 -0.763 . . . . 0.0 110.394 -179.189 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 100' ' ' ASP . . . . . . . . . . . . . 9.0 p-10 -66.53 -36.6 83.08 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.634 -176.318 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 15.0 m -62.06 -22.93 66.17 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.753 176.394 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 102' ' ' LEU . . . . . . . . . . . . . 61.5 mt -94.24 -2.07 52.99 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 115.996 -0.547 . . . . 0.0 110.487 -178.854 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 103' ' ' THR . . . . . . . . . . . . . 13.5 m -94.88 -52.78 4.1 Favored 'General case' 0 C--N 1.326 -0.44 0 CA-C-N 116.057 -0.52 . . . . 0.0 110.3 178.966 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 104' ' ' VAL . . . . . . . . . . . . . 12.2 m -60.34 103.94 0.2 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 115.476 -0.784 . . . . 0.0 111.605 -177.855 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 105' ' ' LEU . . . . . . . . . . . . . 20.8 tp 57.34 32.02 21.09 Favored 'General case' 0 CA--C 1.532 0.284 0 CA-C-N 115.198 -0.91 . . . . 0.0 110.406 -176.726 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 106' ' ' GLY . . . . . . . . . . . . . . . -120.78 -36.39 0.78 Allowed Glycine 0 N--CA 1.449 -0.458 0 CA-C-N 115.464 -0.789 . . . . 0.0 111.931 178.697 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 107' ' ' ALA . . . . . . . . . . . . . . . -71.76 127.49 32.73 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-O 120.668 0.271 . . . . 0.0 110.666 179.265 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 108' ' ' GLY . . . . . . . . . . . . . . . 172.13 -164.5 37.0 Favored Glycine 0 N--CA 1.446 -0.657 0 C-N-CA 120.758 -0.734 . . . . 0.0 112.134 -178.532 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 109' ' ' GLY . . . . . . . . . . . . . . . -100.55 -174.91 29.76 Favored Glycine 0 N--CA 1.446 -0.7 0 C-N-CA 120.887 -0.673 . . . . 0.0 112.766 -179.284 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 110' ' ' ASN . . . . . . . . . . . . . 92.0 m-20 -72.12 134.52 45.81 Favored 'General case' 0 C--N 1.325 -0.496 0 CA-C-O 120.872 0.367 . . . . 0.0 110.408 179.353 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 111' ' ' ASN . . . . . 0.533 ' ND2' HG13 ' A' ' 72' ' ' VAL . 38.0 m-20 -65.21 -33.54 76.24 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 115.789 -0.641 . . . . 0.0 110.778 176.719 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 112' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.248 1.014 0 CA-C-O 118.741 -0.647 . . . . 0.0 110.175 179.415 . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 34.7 m . . . . . 0 N--CA 1.477 0.901 0 CA-C-O 121.074 0.464 . . . . 0.0 110.566 . . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' A' A ' 7' ' ' MET . . . . . . . . . . . . . 27.3 ptt? -66.18 -28.14 68.54 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.072 -0.513 . . . . 0.0 111.347 -176.794 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -69.35 -33.58 73.32 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 121.008 0.432 . . . . 0.0 110.719 179.761 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 9' ' ' GLN . . . . . . . . . . . . . 85.0 mm-40 -81.71 -35.15 30.11 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 116.103 -0.499 . . . . 0.0 110.182 177.372 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -63.97 -45.04 90.86 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 115.86 -0.609 . . . . 0.0 110.303 176.606 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -94.37 60.44 2.68 Favored 'General case' 0 C--N 1.324 -0.535 0 CA-C-N 116.004 -0.544 . . . . 0.0 109.847 175.737 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 3.8 pt20 -64.97 140.38 58.86 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-N 115.383 -0.826 . . . . 0.0 111.248 -176.748 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 51.9 mt-30 -119.3 122.38 41.75 Favored 'General case' 0 C--N 1.324 -0.525 0 CA-C-N 115.905 -0.589 . . . . 0.0 110.656 -178.843 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 14' ' ' LYS . . . . . 0.519 ' O ' ' HA ' ' A' ' 56' ' ' SER . 44.1 mmtm -109.54 142.96 39.87 Favored 'General case' 0 C--N 1.323 -0.573 0 N-CA-C 109.534 -0.543 . . . . 0.0 109.534 175.439 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 15' ' ' ASN . . . . . 0.401 ' HA ' ' HA ' ' A' ' 56' ' ' SER . 47.8 t30 -80.41 98.97 7.74 Favored 'General case' 0 C--N 1.325 -0.472 0 CA-C-O 121.113 0.482 . . . . 0.0 110.529 -178.03 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 16' ' ' PHE . . . . . . . . . . . . . 75.7 m-85 -100.13 140.66 34.04 Favored 'General case' 0 C--N 1.319 -0.751 0 CA-C-N 115.756 -0.656 . . . . 0.0 109.617 178.557 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 9.1 p30 -147.88 117.92 7.24 Favored 'General case' 0 C--N 1.319 -0.724 0 CA-C-O 121.306 0.574 . . . . 0.0 109.52 176.123 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 18' ' ' ILE . . . . . 0.441 HD11 HD12 ' A' ' 66' ' ' LEU . 18.1 mt -139.24 124.17 21.05 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.586 0 CA-C-N 115.837 -0.619 . . . . 0.0 109.923 -175.875 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -70.54 160.01 33.26 Favored 'General case' 0 C--N 1.328 -0.36 0 N-CA-C 109.566 -0.531 . . . . 0.0 109.566 175.851 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -67.07 104.11 1.34 Allowed 'General case' 0 C--N 1.331 -0.233 0 CA-C-O 121.522 0.677 . . . . 0.0 110.626 -176.502 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 21' ' ' GLN . . . . . . . . . . . . . 70.3 mt-30 -105.67 174.82 2.4 Favored Pre-proline 0 C--N 1.32 -0.688 0 CA-C-N 114.82 -1.082 . . . . 0.0 109.631 175.741 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 22' ' ' PRO . . . . . . . . . . . . . 32.5 Cg_exo -59.37 135.88 68.16 Favored 'Trans proline' 0 N--CA 1.462 -0.381 0 C-N-CA 121.54 1.493 . . . . 0.0 109.489 165.193 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -54.99 -46.81 75.18 Favored 'General case' 0 C--N 1.326 -0.434 0 N-CA-C 112.809 0.67 . . . . 0.0 112.809 -165.827 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 76.5 mt-30 -70.58 -27.13 63.88 Favored 'General case' 0 C--N 1.325 -0.477 0 CA-C-O 120.806 0.336 . . . . 0.0 111.218 -178.668 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 19.9 m -80.97 -25.12 37.55 Favored 'General case' 0 C--N 1.326 -0.444 0 CA-C-O 121.188 0.518 . . . . 0.0 110.347 177.142 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -61.84 -51.99 66.0 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 115.648 -0.706 . . . . 0.0 110.932 178.632 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 27' ' ' MET . . . . . 0.645 ' HB2' ' CG2' ' A' ' 38' ' ' VAL . 15.4 mmt -75.43 -16.24 60.36 Favored 'General case' 0 C--N 1.323 -0.572 0 CA-C-N 115.572 -0.74 . . . . 0.0 110.391 -178.639 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 28' ' ' LEU . . . . . 0.438 ' O ' ' HB3' ' A' ' 32' ' ' GLU . 8.7 tt -61.44 -41.8 97.75 Favored 'General case' 0 C--N 1.321 -0.653 0 N-CA-C 108.056 -1.09 . . . . 0.0 108.056 171.453 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 29' ' ' ARG . . . . . 0.432 ' O ' ' HG2' ' A' ' 32' ' ' GLU . 16.5 mmm180 -72.14 -46.84 54.91 Favored 'General case' 0 C--N 1.331 -0.21 0 CA-C-N 115.624 -0.716 . . . . 0.0 111.586 179.363 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 21.3 t80 -68.31 -53.98 20.56 Favored 'General case' 0 C--N 1.323 -0.551 0 CA-C-O 121.349 0.595 . . . . 0.0 111.452 -179.858 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -76.02 -18.2 59.36 Favored 'General case' 0 C--N 1.32 -0.691 0 CA-C-N 115.899 -0.592 . . . . 0.0 112.082 -170.054 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 32' ' ' GLU . . . . . 0.438 ' HB3' ' O ' ' A' ' 28' ' ' LEU . 13.7 pt-20 -66.4 -25.6 66.85 Favored 'General case' 0 C--N 1.327 -0.383 0 C-N-CA 119.888 -0.725 . . . . 0.0 109.739 176.377 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 33' ' ' GLN . . . . . . . . . . . . . 25.6 mt-30 -90.12 -13.85 34.89 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 115.737 -0.665 . . . . 0.0 110.502 177.421 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -102.07 -10.95 19.25 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.829 179.305 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 85.85 37.94 9.02 Favored Glycine 0 CA--C 1.517 0.213 0 C-N-CA 121.056 -0.592 . . . . 0.0 112.633 179.661 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 36' ' ' MET . . . . . . . . . . . . . 73.2 mtm -145.9 175.13 10.66 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-O 120.731 0.3 . . . . 0.0 110.451 -178.495 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 37' ' ' GLN . . . . . . . . . . . . . 51.9 tt0 -153.94 161.22 42.16 Favored 'General case' 0 C--N 1.326 -0.424 0 N-CA-C 108.996 -0.742 . . . . 0.0 108.996 177.833 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 38' ' ' VAL . . . . . 0.645 ' CG2' ' HB2' ' A' ' 27' ' ' MET . 39.4 t -76.22 127.01 37.48 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-O 120.667 0.27 . . . . 0.0 110.431 -176.613 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 39' ' ' PHE . . . . . 0.41 ' HB3' ' CG1' ' A' ' 83' ' ' VAL . 43.1 t80 -115.97 124.57 50.88 Favored 'General case' 0 N--CA 1.447 -0.594 0 N-CA-C 109.579 -0.526 . . . . 0.0 109.579 177.946 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 40' ' ' PHE . . . . . . . . . . . . . 31.7 p90 -135.77 146.2 47.36 Favored 'General case' 0 C--N 1.318 -0.8 0 CA-C-N 115.78 -0.646 . . . . 0.0 110.382 -175.038 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 29.2 t70 -130.88 -68.06 0.69 Allowed 'General case' 0 C--N 1.322 -0.591 0 CA-C-N 116.418 -0.355 . . . . 0.0 110.546 179.991 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 47.8 mt-10 -103.27 89.64 3.46 Favored 'General case' 0 C--N 1.323 -0.568 0 CA-C-O 120.953 0.406 . . . . 0.0 110.607 177.594 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 43' ' ' VAL . . . . . . . . . . . . . 7.5 p -150.13 135.63 10.95 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.352 0 CA-C-N 115.982 -0.553 . . . . 0.0 110.409 -179.713 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 37.6 ttpt -150.96 94.23 2.04 Favored 'General case' 0 C--N 1.326 -0.45 0 CA-C-O 120.919 0.39 . . . . 0.0 110.198 176.909 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 45' ' ' LEU . . . . . 0.541 ' O ' ' HG3' ' A' ' 48' ' ' MET . 54.4 tp -143.29 99.61 3.47 Favored 'General case' 0 C--N 1.32 -0.682 0 CA-C-N 115.996 -0.547 . . . . 0.0 110.103 -179.888 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 26.1 t70 -75.36 109.96 9.32 Favored 'General case' 0 C--N 1.319 -0.738 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.328 178.522 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 123.27 21.49 2.51 Favored Glycine 0 N--CA 1.447 -0.625 0 CA-C-N 115.759 -0.655 . . . . 0.0 112.031 -177.288 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 48' ' ' MET . . . . . 0.541 ' HG3' ' O ' ' A' ' 45' ' ' LEU . 67.5 mtm -67.74 119.52 12.6 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 121.101 0.477 . . . . 0.0 110.669 177.552 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 18.2 pt20 -138.01 154.36 49.33 Favored 'General case' 0 C--N 1.321 -0.648 0 CA-C-N 115.964 -0.562 . . . . 0.0 110.328 -177.927 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -88.3 148.76 24.15 Favored 'General case' 0 C--N 1.321 -0.633 0 CA-C-N 115.815 -0.63 . . . . 0.0 110.675 179.481 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -81.79 166.18 20.24 Favored 'General case' 0 C--N 1.322 -0.603 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.467 177.344 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -68.85 89.99 0.41 Allowed 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 121.328 0.585 . . . . 0.0 110.471 179.032 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 1.9 tm? -85.12 115.23 22.8 Favored 'General case' 0 C--N 1.32 -0.68 0 CA-C-N 115.357 -0.838 . . . . 0.0 110.072 -176.56 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 54' ' ' ASN . . . . . . . . . . . . . 6.2 p30 -160.34 100.0 1.33 Allowed 'General case' 0 C--N 1.328 -0.367 0 CA-C-O 121.352 0.596 . . . . 0.0 110.771 176.423 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . 178.63 154.71 13.11 Favored Glycine 0 N--CA 1.447 -0.567 0 C-N-CA 120.391 -0.909 . . . . 0.0 112.719 179.085 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 56' ' ' SER . . . . . 0.519 ' HA ' ' O ' ' A' ' 14' ' ' LYS . 63.9 p -90.09 101.79 14.51 Favored 'General case' 0 C--N 1.324 -0.514 0 N-CA-C 109.538 -0.542 . . . . 0.0 109.538 174.24 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 57' ' ' MET . . . . . . . . . . . . . 11.5 ptt? -151.15 -173.94 4.65 Favored 'General case' 0 C--N 1.321 -0.658 0 CA-C-N 116.572 -0.285 . . . . 0.0 111.48 -173.549 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 15.6 m -93.78 179.93 5.2 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.097 -177.582 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 59' ' ' VAL . . . . . . . . . . . . . 48.1 t -60.13 -52.64 58.84 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.166 0 CA-C-O 120.6 0.238 . . . . 0.0 111.087 -178.364 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 27.7 mp0 -53.53 -55.58 24.35 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.067 -0.515 . . . . 0.0 111.272 179.637 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 61' ' ' GLN . . . . . . . . . . . . . 75.6 mt-30 -58.22 -37.57 75.11 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 115.776 -0.647 . . . . 0.0 111.161 -178.607 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 62' ' ' GLY . . . . . 0.518 ' O ' ' HB2' ' A' ' 66' ' ' LEU . . . -67.04 -61.42 5.22 Favored Glycine 0 N--CA 1.445 -0.724 0 C-N-CA 121.044 -0.598 . . . . 0.0 112.566 179.233 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 4.5 mm? -58.86 -45.78 89.32 Favored 'General case' 0 C--N 1.331 -0.216 0 N-CA-C 111.721 0.267 . . . . 0.0 111.721 -176.187 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 64' ' ' ARG . . . . . . . . . . . . . 29.6 ttt180 -54.89 -46.35 74.79 Favored 'General case' 0 N--CA 1.446 -0.628 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.97 -177.976 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 65' ' ' ARG . . . . . . . . . . . . . 27.4 ttm180 -76.1 -38.7 56.59 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.64 -179.779 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 66' ' ' LEU . . . . . 0.518 ' HB2' ' O ' ' A' ' 62' ' ' GLY . 1.0 OUTLIER -62.07 -47.64 83.78 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-N 115.289 -0.869 . . . . 0.0 111.013 -176.277 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 67' ' ' ILE . . . . . . . . . . . . . 61.5 mt -78.12 -62.99 1.19 Allowed 'Isoleucine or valine' 0 C--N 1.327 -0.381 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.474 -176.967 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . -113.55 -59.91 0.4 Allowed Glycine 0 N--CA 1.445 -0.71 0 C-N-CA 120.515 -0.85 . . . . 0.0 113.333 -175.497 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . 102.88 -16.16 54.7 Favored Glycine 0 N--CA 1.447 -0.575 0 N-CA-C 110.04 -1.224 . . . . 0.0 110.04 -167.915 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 70' ' ' ASN . . . . . . . . . . . . . 15.5 m120 -101.06 159.8 28.48 Favored Pre-proline 0 C--N 1.324 -0.521 0 CA-C-N 114.36 -0.92 . . . . 0.0 109.501 178.801 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 71' ' ' PRO . . . . . . . . . . . . . 37.0 Cg_endo -66.53 99.95 0.46 Allowed 'Trans proline' 0 C--N 1.346 0.423 0 C-N-CA 122.667 2.245 . . . . 0.0 113.286 179.962 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 72' ' ' VAL . . . . . 0.459 ' CG1' HD22 ' A' ' 84' ' ' LEU . 1.1 t -133.68 160.4 42.12 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.375 0 N-CA-C 107.894 -1.15 . . . . 0.0 107.894 175.959 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -112.95 119.95 39.72 Favored 'General case' 0 C--N 1.325 -0.494 0 C-N-CA 120.333 -0.547 . . . . 0.0 111.587 -170.355 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 74' ' ' PHE . . . . . 0.455 ' HA ' ' HA ' ' A' ' 84' ' ' LEU . 32.2 p90 -123.12 145.57 48.47 Favored 'General case' 0 C--N 1.317 -0.823 0 CA-C-N 115.688 -0.687 . . . . 0.0 109.882 178.321 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 75' ' ' ARG . . . . . . . . . . . . . 5.0 ptp180 -125.1 125.64 44.08 Favored 'General case' 0 C--N 1.315 -0.899 0 CA-C-O 121.215 0.531 . . . . 0.0 110.389 -178.572 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 76' ' ' LEU . . . . . . . . . . . . . 2.7 mm? -83.21 99.66 10.09 Favored 'General case' 0 C--N 1.324 -0.539 0 CA-C-N 115.739 -0.664 . . . . 0.0 109.546 -179.004 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 77' ' ' GLN . . . . . . . . . . . . . 0.4 OUTLIER -85.59 128.06 60.51 Favored Pre-proline 0 N--CA 1.434 -1.227 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.092 -176.124 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 78' ' ' PRO . . . . . . . . . . . . . 41.9 Cg_endo -66.15 -2.8 7.47 Favored 'Trans proline' 0 C--N 1.347 0.491 0 C-N-CA 123.629 2.886 . . . . 0.0 113.571 -173.215 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 79' ' ' GLN . . . . . . . . . . . . . 26.0 mt-30 -83.9 16.57 2.75 Favored 'General case' 0 C--N 1.325 -0.464 0 CA-C-O 121.016 0.436 . . . . 0.0 110.235 176.608 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . 76.3 32.97 50.29 Favored Glycine 0 N--CA 1.448 -0.532 0 CA-C-N 115.708 -0.678 . . . . 0.0 112.134 179.059 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 81' ' ' GLN . . . . . . . . . . . . . 78.6 mt-30 -134.13 118.27 17.51 Favored 'General case' 0 C--N 1.323 -0.562 0 CA-C-O 121.115 0.483 . . . . 0.0 111.506 -174.247 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 82' ' ' ILE . . . . . . . . . . . . . 57.4 mt -92.72 108.07 19.84 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.662 0 N-CA-C 109.144 -0.688 . . . . 0.0 109.144 173.435 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 83' ' ' VAL . . . . . 0.41 ' CG1' ' HB3' ' A' ' 39' ' ' PHE . 17.1 m -116.53 141.37 34.74 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.69 0 CA-C-O 121.284 0.564 . . . . 0.0 110.408 178.841 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 84' ' ' LEU . . . . . 0.659 HD23 ' N ' ' A' ' 85' ' ' SER . 7.7 tt -127.49 149.84 49.94 Favored 'General case' 0 C--N 1.317 -0.845 0 CA-C-N 115.569 -0.741 . . . . 0.0 109.083 -177.673 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 85' ' ' SER . . . . . 0.659 ' N ' HD23 ' A' ' 84' ' ' LEU . 25.1 m -144.18 150.78 38.56 Favored 'General case' 0 C--N 1.325 -0.479 0 N-CA-C 109.894 -0.41 . . . . 0.0 109.894 179.253 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 86' ' ' ARG . . . . . . . . . . . . . 69.1 mtt180 -85.1 75.61 10.33 Favored 'General case' 0 C--N 1.323 -0.562 0 CA-C-O 121.503 0.668 . . . . 0.0 111.415 -176.288 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 87' ' ' LEU . . . . . . . . . . . . . 10.9 mp -83.22 135.08 44.78 Favored Pre-proline 0 C--N 1.324 -0.542 0 CA-C-N 115.101 -0.954 . . . . 0.0 110.382 176.818 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 88' ' ' PRO . . . . . . . . . . . . . 46.7 Cg_endo -68.91 -160.95 0.06 OUTLIER 'Trans proline' 0 CA--C 1.531 0.358 0 C-N-CA 123.067 2.512 . . . . 0.0 112.275 175.909 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 89' ' ' THR . . . . . . . . . . . . . 29.7 m -48.63 118.46 2.54 Favored 'General case' 0 CA--C 1.534 0.341 0 CA-C-O 121.109 0.481 . . . . 0.0 111.647 -178.979 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 90' ' ' ALA . . . . . . . . . . . . . . . -85.79 -179.62 6.87 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 115.953 -0.567 . . . . 0.0 110.474 179.596 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 91' ' ' ASN . . . . . 0.553 ' HB2' ' O ' ' A' ' 95' ' ' GLY . 24.8 p-10 -91.05 4.74 51.33 Favored 'General case' 0 C--N 1.326 -0.448 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.005 -176.482 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 92' ' ' GLY . . . . . . . . . . . . . . . -60.7 -17.24 48.76 Favored Glycine 0 CA--C 1.52 0.397 0 CA-C-N 116.197 -0.456 . . . . 0.0 113.979 -173.911 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 7.0 p-10 -90.15 9.87 26.66 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-O 121.047 0.451 . . . . 0.0 110.629 178.393 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 94' ' ' GLY . . . . . . . . . . . . . . . 94.79 38.23 4.99 Favored Glycine 0 N--CA 1.448 -0.554 0 C-N-CA 120.921 -0.657 . . . . 0.0 111.826 -179.381 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 95' ' ' GLY . . . . . 0.553 ' O ' ' HB2' ' A' ' 91' ' ' ASN . . . -96.96 145.92 18.07 Favored Glycine 0 N--CA 1.445 -0.721 0 C-N-CA 120.723 -0.751 . . . . 0.0 111.869 -179.003 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 96' ' ' ALA . . . . . . . . . . . . . . . -93.41 138.86 31.31 Favored 'General case' 0 C--N 1.321 -0.642 0 N-CA-C 110.429 -0.211 . . . . 0.0 110.429 179.005 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 97' ' ' LEU . . . . . 0.43 ' HA ' ' OD1' ' A' ' 100' ' ' ASP . 93.9 mt 57.81 -147.3 0.52 Allowed 'General case' 0 C--O 1.235 0.339 0 O-C-N 123.422 0.451 . . . . 0.0 110.46 -179.481 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 98' ' ' ALA . . . . . . . . . . . . . . . 71.65 -67.27 0.26 Allowed 'General case' 0 N--CA 1.466 0.343 0 C-N-CA 123.304 0.642 . . . . 0.0 111.341 179.138 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 99' ' ' LEU . . . . . . . . . . . . . 44.4 tp -68.75 -23.35 64.32 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.639 0.257 . . . . 0.0 110.747 -178.711 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 100' ' ' ASP . . . . . 0.43 ' OD1' ' HA ' ' A' ' 97' ' ' LEU . 5.6 m-20 -58.42 -65.26 0.68 Allowed 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.2 -0.454 . . . . 0.0 111.134 179.611 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 18.5 p -71.68 -13.03 61.62 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-O 121.266 0.555 . . . . 0.0 111.01 -179.443 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 102' ' ' LEU . . . . . . . . . . . . . 33.6 tp -78.46 -29.77 47.08 Favored 'General case' 0 C--N 1.325 -0.497 0 CA-C-N 115.845 -0.616 . . . . 0.0 110.185 177.986 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 103' ' ' THR . . . . . . . . . . . . . 31.9 m -94.73 -42.33 8.8 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 115.836 -0.62 . . . . 0.0 110.515 177.733 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 104' ' ' VAL . . . . . . . . . . . . . 94.6 t -69.28 119.12 14.68 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.42 0 CA-C-N 116.061 -0.518 . . . . 0.0 109.693 176.416 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 105' ' ' LEU . . . . . . . . . . . . . 96.5 mt 65.02 25.39 12.63 Favored 'General case' 0 N--CA 1.463 0.222 0 CA-C-O 121.378 0.609 . . . . 0.0 110.086 -173.967 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 106' ' ' GLY . . . . . . . . . . . . . . . -126.05 68.73 0.52 Allowed Glycine 0 N--CA 1.445 -0.742 0 CA-C-N 115.68 -0.691 . . . . 0.0 111.766 179.955 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 107' ' ' ALA . . . . . . . . . . . . . . . -100.19 165.66 11.38 Favored 'General case' 0 C--N 1.323 -0.555 0 CA-C-O 120.888 0.375 . . . . 0.0 110.736 178.995 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 108' ' ' GLY . . . . . . . . . . . . . . . 173.14 168.8 34.85 Favored Glycine 0 N--CA 1.445 -0.766 0 N-CA-C 111.539 -0.625 . . . . 0.0 111.539 -179.573 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 109' ' ' GLY . . . . . . . . . . . . . . . -154.39 98.22 0.18 Allowed Glycine 0 N--CA 1.444 -0.783 0 C-N-CA 120.321 -0.943 . . . . 0.0 112.409 179.45 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 110' ' ' ASN . . . . . . . . . . . . . 4.7 p-10 -165.12 119.24 1.27 Allowed 'General case' 0 C--N 1.326 -0.447 0 CA-C-O 121.123 0.487 . . . . 0.0 109.932 174.669 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 111' ' ' ASN . . . . . . . . . . . . . 3.7 m-20 -89.48 72.32 7.94 Favored 'General case' 0 C--N 1.322 -0.609 0 N-CA-C 109.355 -0.609 . . . . 0.0 109.355 177.431 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 112' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.247 0.965 0 CA-C-N 115.596 -0.729 . . . . 0.0 110.178 -177.372 . . . . . . . . 0 0 . 1 . 011 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 47.7 m . . . . . 0 N--CA 1.475 0.816 0 CA-C-O 120.975 0.417 . . . . 0.0 110.616 . . . . . . . . . 0 0 . 1 . 011 nuclear orig full ' A' A ' 7' ' ' MET . . . . . . . . . . . . . 92.5 mtp -96.38 -32.38 12.39 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.026 -177.441 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -66.14 -26.2 67.33 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.353 -0.385 . . . . 0.0 111.37 -177.512 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 9' ' ' GLN . . . . . . . . . . . . . 12.0 pt20 -67.15 -19.33 65.58 Favored 'General case' 0 C--N 1.331 -0.208 0 CA-C-O 120.803 0.335 . . . . 0.0 110.739 178.948 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -97.0 19.43 12.82 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.798 -179.077 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . 67.85 106.12 0.05 OUTLIER 'General case' 0 N--CA 1.463 0.194 0 CA-C-N 115.474 -0.785 . . . . 0.0 111.438 177.969 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 5.5 pm0 -60.27 119.56 8.14 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-O 121.359 0.599 . . . . 0.0 110.408 179.557 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 12.5 pt20 -109.13 125.76 52.51 Favored 'General case' 0 C--N 1.323 -0.573 0 CA-C-N 115.875 -0.602 . . . . 0.0 110.778 -177.061 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 14' ' ' LYS . . . . . 0.402 ' HB2' ' CZ ' ' A' ' 16' ' ' PHE . 13.7 mmmm -112.0 137.03 50.57 Favored 'General case' 0 C--N 1.321 -0.639 0 CA-C-N 115.536 -0.756 . . . . 0.0 109.453 178.821 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 15' ' ' ASN . . . . . . . . . . . . . 23.9 t-20 -81.22 110.1 16.38 Favored 'General case' 0 C--N 1.321 -0.655 0 CA-C-O 120.98 0.419 . . . . 0.0 110.215 179.715 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 16' ' ' PHE . . . . . 0.569 ' O ' ' HA ' ' A' ' 54' ' ' ASN . 52.7 m-85 -101.55 142.64 32.61 Favored 'General case' 0 C--N 1.321 -0.662 0 CA-C-N 115.981 -0.554 . . . . 0.0 110.482 -179.37 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 8.9 t30 -137.35 94.18 2.9 Favored 'General case' 0 C--N 1.325 -0.466 0 N-CA-C 109.196 -0.668 . . . . 0.0 109.196 175.083 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 18' ' ' ILE . . . . . . . . . . . . . 15.9 mm -112.76 118.73 58.67 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.663 0 CA-C-N 115.714 -0.675 . . . . 0.0 111.058 -173.159 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -75.72 152.22 37.5 Favored 'General case' 0 C--N 1.325 -0.475 0 N-CA-C 108.856 -0.794 . . . . 0.0 108.856 172.703 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -67.54 101.15 0.95 Allowed 'General case' 0 C--N 1.332 -0.182 0 CA-C-O 121.49 0.662 . . . . 0.0 110.585 -176.04 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 21' ' ' GLN . . . . . . . . . . . . . 40.0 mt-30 -107.18 168.53 7.89 Favored Pre-proline 0 C--N 1.32 -0.697 0 CA-C-N 114.769 -1.105 . . . . 0.0 110.39 177.846 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 22' ' ' PRO . . . . . 0.483 ' HA ' ' O ' ' A' ' 48' ' ' MET . 34.0 Cg_exo -60.71 134.2 52.7 Favored 'Trans proline' 0 C--N 1.343 0.27 0 C-N-CA 121.902 1.735 . . . . 0.0 109.469 165.29 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 23' ' ' LEU . . . . . 0.476 ' HB2' ' HB3' ' A' ' 48' ' ' MET . 59.6 mt -49.87 -42.16 47.11 Favored 'General case' 0 C--N 1.329 -0.319 0 N-CA-C 114.149 1.166 . . . . 0.0 114.149 -167.596 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 94.0 mt-30 -65.18 -35.12 80.1 Favored 'General case' 0 C--N 1.322 -0.593 0 CA-C-O 120.942 0.401 . . . . 0.0 110.913 -178.092 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 25' ' ' SER . . . . . 0.444 ' O ' ' HG2' ' A' ' 29' ' ' ARG . 15.3 m -83.22 -34.47 25.87 Favored 'General case' 0 C--N 1.325 -0.48 0 CA-C-O 121.096 0.474 . . . . 0.0 109.912 176.392 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -58.02 -58.52 8.05 Favored 'General case' 0 CA--C 1.516 -0.346 0 CA-C-N 115.493 -0.776 . . . . 0.0 111.437 -179.384 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 27' ' ' MET . . . . . 0.529 ' CE ' ' HB3' ' A' ' 66' ' ' LEU . 12.3 mmt -79.18 -13.37 59.75 Favored 'General case' 0 CA--C 1.506 -0.735 0 CA-C-N 115.377 -0.829 . . . . 0.0 110.558 -174.297 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 28' ' ' LEU . . . . . 0.631 ' O ' ' HG3' ' A' ' 32' ' ' GLU . 3.1 tm? -66.36 -53.62 33.97 Favored 'General case' 0 C--N 1.318 -0.797 0 N-CA-C 107.984 -1.117 . . . . 0.0 107.984 167.405 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 29' ' ' ARG . . . . . 0.515 ' HD3' ' OE1' ' A' ' 32' ' ' GLU . 29.1 mmt180 -65.46 -42.49 92.23 Favored 'General case' 0 N--CA 1.464 0.251 0 CA-C-N 116.299 -0.41 . . . . 0.0 111.402 -178.924 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 30' ' ' PHE . . . . . 0.448 ' HB3' ' HA ' ' A' ' 27' ' ' MET . 32.1 t80 -62.61 -52.65 62.52 Favored 'General case' 0 C--N 1.326 -0.455 0 CA-C-O 120.982 0.42 . . . . 0.0 110.823 178.205 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -71.44 -19.56 62.22 Favored 'General case' 0 C--N 1.323 -0.546 0 CA-C-N 116.156 -0.474 . . . . 0.0 111.204 -176.445 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 32' ' ' GLU . . . . . 0.631 ' HG3' ' O ' ' A' ' 28' ' ' LEU . 20.7 mt-10 -53.39 -50.99 63.97 Favored 'General case' 0 N--CA 1.471 0.604 0 CA-C-O 120.921 0.391 . . . . 0.0 111.1 176.383 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 33' ' ' GLN . . . . . . . . . . . . . 4.1 pt20 -83.29 -9.14 59.27 Favored 'General case' 0 C--N 1.325 -0.465 0 CA-C-N 116.059 -0.519 . . . . 0.0 111.061 -178.227 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -94.23 -11.07 31.0 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-O 120.969 0.414 . . . . 0.0 111.086 177.372 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 85.24 37.41 9.9 Favored Glycine 0 CA--C 1.517 0.209 0 CA-C-N 116.033 -0.53 . . . . 0.0 112.718 178.6 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 36' ' ' MET . . . . . 0.427 ' HG2' ' HA2' ' A' ' 80' ' ' GLY . 64.1 mtm -148.83 176.03 10.75 Favored 'General case' 0 C--N 1.328 -0.356 0 C-N-CA 122.566 0.346 . . . . 0.0 110.217 -178.615 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 37' ' ' GLN . . . . . 0.412 ' O ' ' HA ' ' A' ' 81' ' ' GLN . 44.1 tt0 -138.19 144.12 40.55 Favored 'General case' 0 C--N 1.325 -0.5 0 N-CA-C 109.413 -0.588 . . . . 0.0 109.413 173.407 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 38' ' ' VAL . . . . . 0.421 ' HB ' ' HB2' ' A' ' 27' ' ' MET . 6.4 p -77.3 132.75 32.14 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.385 0 N-CA-C 109.618 -0.512 . . . . 0.0 109.618 176.546 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 39' ' ' PHE . . . . . . . . . . . . . 82.9 t80 -89.79 115.36 27.08 Favored 'General case' 0 C--N 1.322 -0.628 0 CA-C-N 115.959 -0.564 . . . . 0.0 110.745 -174.697 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 40' ' ' PHE . . . . . . . . . . . . . 20.9 p90 -142.37 104.87 4.49 Favored 'General case' 0 C--N 1.322 -0.588 0 CA-C-O 121.381 0.61 . . . . 0.0 110.322 178.116 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 32.0 t70 -125.88 -61.5 1.24 Allowed 'General case' 0 C--N 1.321 -0.638 0 CA-C-N 115.955 -0.566 . . . . 0.0 110.295 179.156 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 42.1 mt-10 -97.24 86.73 3.99 Favored 'General case' 0 C--N 1.322 -0.595 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.053 176.117 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 43' ' ' VAL . . . . . . . . . . . . . 4.2 m -151.34 138.29 13.06 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 CA-C-N 115.913 -0.585 . . . . 0.0 110.517 -178.324 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 24.1 ttmm -150.57 89.81 1.59 Allowed 'General case' 0 C--N 1.321 -0.652 0 CA-C-N 116.047 -0.524 . . . . 0.0 109.862 174.998 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 56.3 tp -159.2 125.31 4.43 Favored 'General case' 0 C--N 1.324 -0.528 0 CA-C-N 115.646 -0.706 . . . . 0.0 109.97 -179.597 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 6.6 p-10 -94.22 162.04 14.02 Favored 'General case' 0 C--N 1.322 -0.595 0 CA-C-O 120.903 0.382 . . . . 0.0 110.606 -179.364 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 101.21 10.62 41.56 Favored Glycine 0 N--CA 1.446 -0.646 0 C-N-CA 120.831 -0.7 . . . . 0.0 112.405 178.93 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 48' ' ' MET . . . . . 0.483 ' O ' ' HA ' ' A' ' 22' ' ' PRO . 64.3 mtt -71.66 117.84 13.74 Favored 'General case' 0 C--N 1.33 -0.264 0 N-CA-C 109.928 -0.397 . . . . 0.0 109.928 -178.996 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 47.6 mt-30 -141.7 126.89 18.53 Favored 'General case' 0 C--N 1.322 -0.591 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.333 -176.587 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -83.93 160.62 21.05 Favored 'General case' 0 C--N 1.321 -0.635 0 CA-C-N 115.99 -0.55 . . . . 0.0 110.913 179.652 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -90.65 154.0 19.89 Favored 'General case' 0 C--N 1.322 -0.601 0 CA-C-N 115.946 -0.57 . . . . 0.0 109.945 175.597 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -70.08 89.7 0.63 Allowed 'General case' 0 C--N 1.328 -0.34 0 CA-C-O 121.145 0.498 . . . . 0.0 110.368 178.915 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 61.5 tp -83.13 113.1 20.4 Favored 'General case' 0 C--N 1.322 -0.607 0 CA-C-N 115.705 -0.68 . . . . 0.0 110.763 -178.247 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 54' ' ' ASN . . . . . 0.569 ' HA ' ' O ' ' A' ' 16' ' ' PHE . 64.0 t30 -138.51 100.92 4.22 Favored 'General case' 0 C--N 1.323 -0.56 0 N-CA-C 109.597 -0.52 . . . . 0.0 109.597 175.798 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . 179.74 165.3 33.51 Favored Glycine 0 N--CA 1.45 -0.395 0 C-N-CA 120.5 -0.857 . . . . 0.0 112.593 -178.037 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 17.4 m -106.22 103.29 12.73 Favored 'General case' 0 C--N 1.325 -0.495 0 CA-C-O 120.754 0.311 . . . . 0.0 110.651 -178.653 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 57' ' ' MET . . . . . . . . . . . . . 12.5 ptt? -162.77 -171.05 2.56 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.283 179.876 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 14.8 m -90.89 -171.22 2.94 Favored 'General case' 0 C--N 1.324 -0.526 0 C-N-CA 120.915 -0.314 . . . . 0.0 111.087 -178.556 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 59' ' ' VAL . . . . . . . . . . . . . 24.2 t -66.28 -40.28 86.43 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.338 0 CA-C-N 116.578 -0.283 . . . . 0.0 111.366 -176.411 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 60' ' ' GLU . . . . . 0.724 ' O ' ' HG3' ' A' ' 64' ' ' ARG . 1.7 mp0 -50.31 -70.22 0.09 Allowed 'General case' 0 C--N 1.328 -0.338 0 O-C-N 123.607 0.567 . . . . 0.0 111.376 -175.659 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 61' ' ' GLN . . . . . . . . . . . . . 18.3 mm100 -62.2 -34.41 76.4 Favored 'General case' 0 C--N 1.328 -0.35 0 N-CA-C 111.762 0.282 . . . . 0.0 111.762 -174.313 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . -64.55 -53.63 34.1 Favored Glycine 0 N--CA 1.449 -0.495 0 C-N-CA 120.524 -0.846 . . . . 0.0 112.197 178.218 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 63' ' ' LEU . . . . . 0.522 HD12 ' CG ' ' A' ' 74' ' ' PHE . 1.3 tm? -67.49 -32.61 73.55 Favored 'General case' 0 C--N 1.326 -0.453 0 C-N-CA 122.466 0.306 . . . . 0.0 110.623 -176.414 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 64' ' ' ARG . . . . . 0.724 ' HG3' ' O ' ' A' ' 60' ' ' GLU . 71.7 mtp180 -51.92 -59.67 4.06 Favored 'General case' 0 C--O 1.235 0.298 0 CA-C-O 121.046 0.451 . . . . 0.0 110.555 176.578 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 65' ' ' ARG . . . . . . . . . . . . . 51.7 ttt180 -68.63 -33.79 74.62 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 115.441 -0.8 . . . . 0.0 110.856 -177.377 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 66' ' ' LEU . . . . . 0.529 ' HB3' ' CE ' ' A' ' 27' ' ' MET . 9.2 mt -59.03 -55.74 31.26 Favored 'General case' 0 C--N 1.324 -0.535 0 CA-C-N 115.511 -0.768 . . . . 0.0 112.866 -177.184 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 67' ' ' ILE . . . . . 0.552 ' HB ' ' ND2' ' A' ' 111' ' ' ASN . 10.6 mt -79.98 -61.59 1.68 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.345 0 N-CA-C 113.155 0.798 . . . . 0.0 113.155 -170.02 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 68' ' ' GLY . . . . . 0.415 ' C ' ' H ' ' A' ' 70' ' ' ASN . . . -112.38 -63.07 0.46 Allowed Glycine 0 N--CA 1.448 -0.549 0 C-N-CA 119.009 -1.567 . . . . 0.0 114.711 -169.015 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . 84.47 -21.77 10.06 Favored Glycine 0 CA--C 1.52 0.378 0 N-CA-C 110.499 -1.041 . . . . 0.0 110.499 -167.295 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 70' ' ' ASN . . . . . 0.493 ' HB2' ' HD2' ' A' ' 71' ' ' PRO . 27.5 p-10 -101.68 162.56 20.05 Favored Pre-proline 0 C--N 1.327 -0.386 0 C-N-CA 123.534 0.734 . . . . 0.0 109.191 175.314 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 71' ' ' PRO . . . . . 0.493 ' HD2' ' HB2' ' A' ' 70' ' ' ASN . 19.1 Cg_endo -59.25 97.72 0.1 Allowed 'Trans proline' 0 C--N 1.351 0.661 0 C-N-CA 122.552 2.168 . . . . 0.0 113.368 -179.087 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 72' ' ' VAL . . . . . . . . . . . . . 8.2 t -140.56 160.27 24.64 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.393 0 N-CA-C 107.69 -1.226 . . . . 0.0 107.69 174.708 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -117.56 129.72 55.96 Favored 'General case' 0 C--N 1.322 -0.596 0 C-N-CA 120.694 -0.402 . . . . 0.0 111.053 -179.549 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 74' ' ' PHE . . . . . 0.522 ' CG ' HD12 ' A' ' 63' ' ' LEU . 27.6 p90 -115.98 138.85 50.83 Favored 'General case' 0 C--N 1.325 -0.499 0 CA-C-O 121.05 0.452 . . . . 0.0 109.937 174.635 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 75' ' ' ARG . . . . . . . . . . . . . 82.6 mtp180 -114.97 119.62 37.13 Favored 'General case' 0 C--N 1.318 -0.795 0 CA-C-N 115.903 -0.589 . . . . 0.0 110.58 -178.406 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 76' ' ' LEU . . . . . . . . . . . . . 41.2 mt -87.53 99.19 11.85 Favored 'General case' 0 C--N 1.32 -0.712 0 N-CA-C 109.14 -0.689 . . . . 0.0 109.14 176.757 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 77' ' ' GLN . . . . . 0.401 ' HA ' ' HD3' ' A' ' 78' ' ' PRO . 14.9 mm100 -79.43 137.2 55.75 Favored Pre-proline 0 C--N 1.321 -0.649 0 CA-C-N 115.851 -0.613 . . . . 0.0 111.128 -174.03 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 78' ' ' PRO . . . . . 0.401 ' HD3' ' HA ' ' A' ' 77' ' ' GLN . 29.9 Cg_exo -62.8 -6.8 9.85 Favored 'Trans proline' 0 C--N 1.351 0.66 0 C-N-CA 123.566 2.844 . . . . 0.0 113.669 -177.039 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 79' ' ' GLN . . . . . . . . . . . . . 16.8 mm100 -84.49 -4.49 58.97 Favored 'General case' 0 C--N 1.325 -0.476 0 CA-C-O 120.951 0.405 . . . . 0.0 110.108 176.058 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 80' ' ' GLY . . . . . 0.427 ' HA2' ' HG2' ' A' ' 36' ' ' MET . . . 92.5 39.01 5.44 Favored Glycine 0 N--CA 1.446 -0.697 0 CA-C-N 115.852 -0.613 . . . . 0.0 111.868 -179.997 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 81' ' ' GLN . . . . . 0.412 ' HA ' ' O ' ' A' ' 37' ' ' GLN . 51.8 mt-30 -133.3 130.87 39.5 Favored 'General case' 0 C--N 1.326 -0.443 0 CA-C-O 120.728 0.299 . . . . 0.0 110.867 -176.542 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 82' ' ' ILE . . . . . . . . . . . . . 51.7 mt -96.44 107.6 20.02 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.676 0 N-CA-C 109.451 -0.574 . . . . 0.0 109.451 175.247 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 83' ' ' VAL . . . . . . . . . . . . . 24.8 t -108.39 126.06 65.13 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.562 0 CA-C-N 116.306 -0.406 . . . . 0.0 110.393 -177.982 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 84' ' ' LEU . . . . . . . . . . . . . 21.5 tp -87.06 144.99 26.64 Favored 'General case' 0 C--N 1.322 -0.603 0 N-CA-C 109.461 -0.57 . . . . 0.0 109.461 178.066 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 85' ' ' SER . . . . . . . . . . . . . 47.7 m -143.57 143.29 31.44 Favored 'General case' 0 C--N 1.322 -0.589 0 CA-C-O 121.304 0.573 . . . . 0.0 111.425 -178.393 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 86' ' ' ARG . . . . . . . . . . . . . 38.9 ttm180 -102.7 76.38 1.5 Allowed 'General case' 0 C--N 1.324 -0.527 0 N-CA-C 108.775 -0.824 . . . . 0.0 108.775 177.233 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 87' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -62.42 136.46 95.81 Favored Pre-proline 0 C--N 1.324 -0.539 0 CA-C-N 115.34 -0.845 . . . . 0.0 111.292 -174.641 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 88' ' ' PRO . . . . . . . . . . . . . 38.2 Cg_endo -69.28 107.29 1.73 Allowed 'Trans proline' 0 N--CA 1.463 -0.317 0 C-N-CA 122.45 2.1 . . . . 0.0 111.751 177.935 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 89' ' ' THR . . . . . . . . . . . . . 14.9 m -87.51 108.26 18.95 Favored 'General case' 0 C--N 1.322 -0.593 0 CA-C-N 116.066 -0.516 . . . . 0.0 109.886 -179.744 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 90' ' ' ALA . . . . . . . . . . . . . . . -67.51 109.82 3.39 Favored 'General case' 0 C--N 1.326 -0.451 0 CA-C-O 120.989 0.424 . . . . 0.0 111.167 -177.855 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 91' ' ' ASN . . . . . . . . . . . . . 54.3 m-80 -124.66 -32.46 3.1 Favored 'General case' 0 C--N 1.324 -0.506 0 CA-C-N 115.929 -0.578 . . . . 0.0 110.781 177.128 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 92' ' ' GLY . . . . . . . . . . . . . . . -109.65 16.02 31.57 Favored Glycine 0 N--CA 1.45 -0.411 0 C-N-CA 120.672 -0.775 . . . . 0.0 113.39 -174.172 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 14.4 t70 -92.85 -37.11 12.47 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-O 121.183 0.516 . . . . 0.0 110.292 177.888 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 94' ' ' GLY . . . . . . . . . . . . . . . 96.05 -27.01 18.24 Favored Glycine 0 N--CA 1.446 -0.695 0 C-N-CA 120.982 -0.628 . . . . 0.0 112.979 178.844 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 95' ' ' GLY . . . . . . . . . . . . . . . -176.39 61.18 0.1 Allowed Glycine 0 N--CA 1.446 -0.649 0 C-N-CA 120.347 -0.93 . . . . 0.0 112.345 179.71 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 96' ' ' ALA . . . . . . . . . . . . . . . -79.77 96.62 6.34 Favored 'General case' 0 C--N 1.324 -0.514 0 CA-C-O 120.753 0.311 . . . . 0.0 110.825 -178.54 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 97' ' ' LEU . . . . . . . . . . . . . 88.3 mt -65.83 157.78 29.55 Favored 'General case' 0 C--N 1.324 -0.501 0 CA-C-N 116.077 -0.51 . . . . 0.0 110.176 179.312 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 98' ' ' ALA . . . . . . . . . . . . . . . 71.03 -57.61 0.6 Allowed 'General case' 0 N--CA 1.467 0.383 0 O-C-N 123.986 0.804 . . . . 0.0 111.203 -176.298 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 99' ' ' LEU . . . . . . . . . . . . . 64.0 tp -67.0 -23.21 65.9 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-O 121.079 0.466 . . . . 0.0 110.813 179.435 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 100' ' ' ASP . . . . . . . . . . . . . 34.0 t70 -59.87 -33.47 71.85 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 115.897 -0.592 . . . . 0.0 111.502 -178.876 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 50.8 m -65.0 -29.14 70.04 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-O 121.055 0.455 . . . . 0.0 110.932 178.643 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 102' ' ' LEU . . . . . . . . . . . . . 39.3 tp -82.83 -19.84 36.82 Favored 'General case' 0 C--N 1.326 -0.442 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.075 178.879 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 103' ' ' THR . . . . . . . . . . . . . 8.8 m -78.19 -16.19 58.11 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 115.961 -0.563 . . . . 0.0 110.708 -179.199 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 104' ' ' VAL . . . . . 0.459 HG12 ' H ' ' A' ' 106' ' ' GLY . 48.7 t -64.27 124.55 19.26 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.375 0 CA-C-N 116.002 -0.545 . . . . 0.0 110.103 178.522 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 105' ' ' LEU . . . . . . . . . . . . . 52.9 tp -63.1 -20.03 64.98 Favored 'General case' 0 C--O 1.233 0.191 0 CA-C-N 116.105 -0.498 . . . . 0.0 111.188 -177.012 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 106' ' ' GLY . . . . . 0.459 ' H ' HG12 ' A' ' 104' ' ' VAL . . . -73.0 61.75 1.71 Allowed Glycine 0 N--CA 1.449 -0.437 0 C-N-CA 121.261 -0.495 . . . . 0.0 112.003 174.359 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 107' ' ' ALA . . . . . . . . . . . . . . . -97.92 151.07 20.65 Favored 'General case' 0 C--N 1.322 -0.608 0 N-CA-C 109.852 -0.425 . . . . 0.0 109.852 178.687 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 108' ' ' GLY . . . . . . . . . . . . . . . -70.9 -11.45 69.72 Favored Glycine 0 N--CA 1.45 -0.427 0 CA-C-N 115.989 -0.55 . . . . 0.0 112.852 -178.34 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 109' ' ' GLY . . . . . . . . . . . . . . . -155.26 98.67 0.18 Allowed Glycine 0 N--CA 1.443 -0.896 0 C-N-CA 120.652 -0.785 . . . . 0.0 112.298 178.088 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 110' ' ' ASN . . . . . 0.514 ' O ' ' HG2' ' A' ' 64' ' ' ARG . 21.9 p-10 -130.72 122.74 27.82 Favored 'General case' 0 C--N 1.323 -0.568 0 N-CA-C 109.637 -0.505 . . . . 0.0 109.637 175.449 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 111' ' ' ASN . . . . . 0.552 ' ND2' ' HB ' ' A' ' 67' ' ' ILE . 16.3 m120 -73.11 -2.08 20.02 Favored 'General case' 0 C--N 1.324 -0.514 0 N-CA-C 111.906 0.336 . . . . 0.0 111.906 -173.797 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 112' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.248 0.996 0 CA-C-O 118.75 -0.643 . . . . 0.0 109.878 176.727 . . . . . . . . 0 0 . 1 . 012 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 29.5 t . . . . . 0 N--CA 1.478 0.943 0 N-CA-C 109.98 -0.378 . . . . 0.0 109.98 . . . . . . . . . 0 0 . 1 . 012 nuclear orig full ' A' A ' 7' ' ' MET . . . . . . . . . . . . . 15.5 tpt -55.19 -62.53 1.61 Allowed 'General case' 0 C--N 1.331 -0.206 0 N-CA-C 112.126 0.417 . . . . 0.0 112.126 -173.325 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -73.15 -21.41 60.72 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-O 120.97 0.414 . . . . 0.0 111.301 -176.74 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 9' ' ' GLN . . . . . . . . . . . . . 65.2 tt0 -68.71 -30.07 68.64 Favored 'General case' 0 C--N 1.323 -0.563 0 CA-C-O 121.163 0.506 . . . . 0.0 110.27 176.223 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -77.63 -2.94 38.42 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 115.956 -0.565 . . . . 0.0 110.71 177.045 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -119.59 58.02 0.89 Allowed 'General case' 0 C--N 1.325 -0.495 0 CA-C-N 115.692 -0.685 . . . . 0.0 109.274 174.878 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 34.2 tt0 -73.05 101.45 3.26 Favored 'General case' 0 C--N 1.324 -0.535 0 CA-C-N 115.411 -0.813 . . . . 0.0 110.955 -175.443 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 13.9 pt20 -97.14 122.81 40.57 Favored 'General case' 0 C--N 1.323 -0.567 0 CA-C-O 121.091 0.472 . . . . 0.0 109.976 176.728 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 14' ' ' LYS . . . . . 0.541 ' O ' ' HA ' ' A' ' 56' ' ' SER . 30.2 mmmt -116.49 147.53 41.66 Favored 'General case' 0 C--N 1.321 -0.672 0 N-CA-C 109.64 -0.504 . . . . 0.0 109.64 -178.706 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 15' ' ' ASN . . . . . . . . . . . . . 27.0 t-20 -81.28 102.73 10.58 Favored 'General case' 0 C--N 1.321 -0.644 0 CA-C-O 120.973 0.416 . . . . 0.0 109.902 179.664 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 16' ' ' PHE . . . . . . . . . . . . . 80.5 m-85 -99.26 150.45 22.09 Favored 'General case' 0 C--N 1.322 -0.623 0 CA-C-N 115.993 -0.549 . . . . 0.0 110.551 -178.522 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 2.1 p-10 -138.7 89.13 2.34 Favored 'General case' 0 C--N 1.324 -0.537 0 CA-C-O 121.583 0.706 . . . . 0.0 110.217 178.911 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 18' ' ' ILE . . . . . . . . . . . . . 19.4 mm -115.16 109.27 27.78 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.51 0 CA-C-N 115.888 -0.597 . . . . 0.0 110.718 -176.524 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -73.52 161.23 30.6 Favored 'General case' 0 C--N 1.324 -0.531 0 N-CA-C 108.29 -1.004 . . . . 0.0 108.29 169.507 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -68.0 101.34 1.11 Allowed 'General case' 0 C--N 1.328 -0.337 0 CA-C-O 121.617 0.722 . . . . 0.0 110.212 -176.414 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 21' ' ' GLN . . . . . . . . . . . . . 40.5 mt-30 -106.9 165.1 13.47 Favored Pre-proline 0 C--N 1.319 -0.747 0 CA-C-N 114.609 -1.178 . . . . 0.0 109.591 175.898 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 22' ' ' PRO . . . . . . . . . . . . . 36.2 Cg_exo -61.18 129.27 27.89 Favored 'Trans proline' 0 N--CA 1.461 -0.389 0 C-N-CA 121.553 1.502 . . . . 0.0 109.433 167.662 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 23' ' ' LEU . . . . . 0.402 ' HB2' ' HB3' ' A' ' 48' ' ' MET . 11.3 mt -51.64 -31.42 25.25 Favored 'General case' 0 CA--C 1.529 0.148 0 N-CA-C 113.565 0.95 . . . . 0.0 113.565 -168.042 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 71.1 mt-30 -63.64 -47.9 79.43 Favored 'General case' 0 C--N 1.326 -0.439 0 CA-C-O 121.181 0.515 . . . . 0.0 110.718 178.446 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 7.7 m -84.74 -24.18 28.94 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-N 115.795 -0.638 . . . . 0.0 110.71 -178.732 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -59.66 -52.98 63.2 Favored 'General case' 0 CA--C 1.517 -0.288 0 CA-C-O 121.253 0.549 . . . . 0.0 110.612 177.157 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 27' ' ' MET . . . . . 0.478 ' HE2' HG12 ' A' ' 67' ' ' ILE . 22.9 mmt -74.89 -14.24 60.64 Favored 'General case' 0 C--O 1.218 -0.57 0 CA-C-N 115.476 -0.784 . . . . 0.0 110.556 -179.113 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 28' ' ' LEU . . . . . 0.491 ' O ' ' HG3' ' A' ' 32' ' ' GLU . 63.7 tp -66.93 -60.04 2.98 Favored 'General case' 0 C--N 1.318 -0.795 0 N-CA-C 108.592 -0.892 . . . . 0.0 108.592 170.737 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 29' ' ' ARG . . . . . 0.55 ' HA ' ' NE ' ' A' ' 29' ' ' ARG . 1.4 mmp_? -56.89 -46.66 81.76 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 121.04 0.447 . . . . 0.0 111.39 179.246 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 22.5 t80 -68.26 -57.21 6.34 Favored 'General case' 0 C--N 1.323 -0.573 0 CA-C-N 115.801 -0.636 . . . . 0.0 111.898 -178.16 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 31' ' ' ALA . . . . . 0.436 ' HB3' ' O ' ' A' ' 27' ' ' MET . . . -78.18 -17.88 56.22 Favored 'General case' 0 C--N 1.322 -0.593 0 N-CA-C 112.304 0.483 . . . . 0.0 112.304 -169.332 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 32' ' ' GLU . . . . . 0.491 ' HG3' ' O ' ' A' ' 28' ' ' LEU . 31.2 mt-10 -55.07 -37.86 67.32 Favored 'General case' 0 N--CA 1.471 0.58 0 CA-C-O 121.39 0.614 . . . . 0.0 109.515 170.644 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 33' ' ' GLN . . . . . . . . . . . . . 45.9 mt-30 -79.24 -21.28 46.41 Favored 'General case' 0 C--N 1.325 -0.465 0 CA-C-N 115.05 -0.977 . . . . 0.0 110.824 179.914 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -101.68 9.14 41.29 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-N 116.147 -0.479 . . . . 0.0 111.655 -178.646 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 64.54 36.55 93.3 Favored Glycine 0 CA--C 1.519 0.287 0 CA-C-N 116.099 -0.5 . . . . 0.0 112.919 178.114 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 36' ' ' MET . . . . . . . . . . . . . 73.9 mtm -146.83 176.5 9.83 Favored 'General case' 0 C--N 1.326 -0.443 0 N-CA-C 109.876 -0.416 . . . . 0.0 109.876 -178.064 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 37' ' ' GLN . . . . . . . . . . . . . 25.1 mt-30 -153.5 154.88 35.2 Favored 'General case' 0 C--N 1.327 -0.372 0 N-CA-C 109.996 -0.372 . . . . 0.0 109.996 172.29 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 38' ' ' VAL . . . . . 0.418 ' CG1' ' HB2' ' A' ' 27' ' ' MET . 7.6 p -78.14 117.51 23.58 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.36 0 CA-C-O 121.306 0.574 . . . . 0.0 110.09 179.288 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 39' ' ' PHE . . . . . . . . . . . . . 55.7 t80 -122.29 135.46 54.74 Favored 'General case' 0 C--N 1.32 -0.708 0 CA-C-N 116.034 -0.53 . . . . 0.0 110.312 -176.473 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 40' ' ' PHE . . . . . . . . . . . . . 19.1 p90 -147.07 143.68 28.52 Favored 'General case' 0 C--N 1.319 -0.753 0 CA-C-N 115.625 -0.716 . . . . 0.0 109.77 178.884 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 9.1 m-20 -73.62 -168.63 0.59 Allowed 'General case' 0 C--N 1.326 -0.45 0 CA-C-N 115.723 -0.672 . . . . 0.0 110.688 -179.168 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 46.2 mt-10 -62.35 94.53 0.06 Allowed 'General case' 0 C--N 1.328 -0.337 0 CA-C-O 121.255 0.55 . . . . 0.0 111.814 179.892 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 43' ' ' VAL . . . . . . . . . . . . . 7.1 p -150.72 134.97 8.82 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.767 0 CA-C-N 115.418 -0.81 . . . . 0.0 109.057 175.707 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 39.4 ttpt -79.12 110.74 14.65 Favored 'General case' 0 C--N 1.322 -0.621 0 CA-C-O 120.833 0.349 . . . . 0.0 110.294 -178.098 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 82.1 mt -115.22 100.11 7.9 Favored 'General case' 0 C--N 1.322 -0.62 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.107 179.397 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 17.6 t70 -112.28 133.13 54.57 Favored 'General case' 0 C--N 1.323 -0.563 0 CA-C-N 116.038 -0.528 . . . . 0.0 110.28 179.674 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 81.99 22.21 59.8 Favored Glycine 0 N--CA 1.448 -0.528 0 C-N-CA 120.72 -0.753 . . . . 0.0 112.848 177.424 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 48' ' ' MET . . . . . 0.402 ' HB3' ' HB2' ' A' ' 23' ' ' LEU . 18.9 mmt -80.62 118.37 22.13 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-O 121.041 0.448 . . . . 0.0 110.027 178.113 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 8.7 tt0 -131.72 143.82 50.54 Favored 'General case' 0 C--N 1.324 -0.521 0 CA-C-N 115.822 -0.627 . . . . 0.0 110.115 -174.089 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -83.02 153.03 25.15 Favored 'General case' 0 C--N 1.325 -0.495 0 CA-C-N 116.03 -0.532 . . . . 0.0 110.969 -178.121 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -88.37 169.27 11.96 Favored 'General case' 0 C--N 1.324 -0.5 0 CA-C-N 115.745 -0.662 . . . . 0.0 111.063 -179.841 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -68.52 104.65 1.98 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 115.965 -0.561 . . . . 0.0 110.96 -179.513 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 53' ' ' LEU . . . . . 0.443 ' CB ' HD12 ' A' ' 66' ' ' LEU . 3.4 tm? -121.16 108.12 13.4 Favored 'General case' 0 C--N 1.322 -0.609 0 CA-C-N 115.865 -0.607 . . . . 0.0 109.742 -178.304 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 54' ' ' ASN . . . . . . . . . . . . . 7.2 t30 -149.01 98.87 2.9 Favored 'General case' 0 C--N 1.323 -0.574 0 CA-C-N 116.033 -0.53 . . . . 0.0 109.739 177.35 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . 177.94 174.1 43.96 Favored Glycine 0 N--CA 1.447 -0.601 0 C-N-CA 120.777 -0.725 . . . . 0.0 112.096 -179.407 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 56' ' ' SER . . . . . 0.541 ' HA ' ' O ' ' A' ' 14' ' ' LYS . 24.5 t -97.9 104.33 16.35 Favored 'General case' 0 C--N 1.322 -0.587 0 N-CA-C 109.822 -0.436 . . . . 0.0 109.822 176.696 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 57' ' ' MET . . . . . 0.438 ' SD ' ' HA2' ' A' ' 62' ' ' GLY . 20.7 ptp -150.83 173.0 14.74 Favored 'General case' 0 C--N 1.323 -0.559 0 CA-C-N 116.297 -0.41 . . . . 0.0 110.418 -177.708 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 48.2 m -92.57 166.97 12.24 Favored 'General case' 0 C--N 1.325 -0.482 0 CA-C-N 116.394 -0.366 . . . . 0.0 111.084 -178.814 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 59' ' ' VAL . . . . . 0.453 ' O ' HD21 ' A' ' 63' ' ' LEU . 96.9 t -52.39 -48.2 45.61 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.411 0 O-C-N 123.42 0.45 . . . . 0.0 111.272 -179.431 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 60' ' ' GLU . . . . . 0.478 ' O ' ' HG3' ' A' ' 64' ' ' ARG . 20.4 mp0 -55.81 -33.86 64.81 Favored 'General case' 0 C--N 1.326 -0.438 0 CA-C-N 116.061 -0.518 . . . . 0.0 111.959 -178.41 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 61' ' ' GLN . . . . . . . . . . . . . 16.3 mm100 -89.52 -42.21 11.58 Favored 'General case' 0 C--N 1.324 -0.529 0 CA-C-O 120.684 0.278 . . . . 0.0 110.918 -177.226 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 62' ' ' GLY . . . . . 0.438 ' HA2' ' SD ' ' A' ' 57' ' ' MET . . . -62.59 -49.72 70.9 Favored Glycine 0 N--CA 1.448 -0.56 0 C-N-CA 121.094 -0.574 . . . . 0.0 112.579 -176.93 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 63' ' ' LEU . . . . . 0.453 HD21 ' O ' ' A' ' 59' ' ' VAL . 4.4 mm? -60.17 -33.98 72.96 Favored 'General case' 0 C--N 1.327 -0.382 0 N-CA-C 111.576 0.214 . . . . 0.0 111.576 -177.097 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 64' ' ' ARG . . . . . 0.484 ' HA ' ' HA ' ' A' ' 111' ' ' ASN . 52.2 mtt180 -57.29 -50.13 73.88 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-O 120.877 0.37 . . . . 0.0 110.957 -179.479 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 65' ' ' ARG . . . . . . . . . . . . . 71.0 mtp180 -79.07 -38.11 37.16 Favored 'General case' 0 C--N 1.322 -0.61 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.261 -179.642 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 66' ' ' LEU . . . . . 0.443 HD12 ' CB ' ' A' ' 53' ' ' LEU . 46.0 tp -69.4 -37.28 77.42 Favored 'General case' 0 C--N 1.324 -0.526 0 N-CA-C 112.984 0.735 . . . . 0.0 112.984 -170.898 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 67' ' ' ILE . . . . . 0.478 HG12 ' HE2' ' A' ' 27' ' ' MET . 43.2 mt -80.84 -65.02 0.85 Allowed 'Isoleucine or valine' 0 C--N 1.331 -0.214 0 N-CA-C 113.206 0.817 . . . . 0.0 113.206 -171.782 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 68' ' ' GLY . . . . . 0.406 ' C ' ' H ' ' A' ' 70' ' ' ASN . . . -114.2 -63.25 0.41 Allowed Glycine 0 N--CA 1.449 -0.494 0 C-N-CA 118.905 -1.617 . . . . 0.0 115.297 -167.267 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . 83.18 -15.32 34.25 Favored Glycine 0 CA--C 1.521 0.432 0 N-CA-C 110.259 -1.136 . . . . 0.0 110.259 -166.352 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 70' ' ' ASN . . . . . 0.406 ' H ' ' C ' ' A' ' 68' ' ' GLY . 72.3 m-20 -100.68 165.68 13.88 Favored Pre-proline 0 C--N 1.328 -0.338 0 N-CA-C 108.827 -0.805 . . . . 0.0 108.827 176.674 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 71' ' ' PRO . . . . . . . . . . . . . 17.5 Cg_exo -67.31 95.45 0.38 Allowed 'Trans proline' 0 C--N 1.346 0.414 0 C-N-CA 121.723 1.615 . . . . 0.0 111.659 176.708 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 72' ' ' VAL . . . . . . . . . . . . . 12.4 p -152.49 160.39 3.27 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.607 0 N-CA-C 108.216 -1.031 . . . . 0.0 108.216 178.0 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -122.24 142.08 50.82 Favored 'General case' 0 C--N 1.32 -0.695 0 CA-C-O 121.031 0.444 . . . . 0.0 111.529 -177.978 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 74' ' ' PHE . . . . . . . . . . . . . 15.6 p90 -106.17 126.34 52.09 Favored 'General case' 0 C--N 1.318 -0.772 0 CA-C-N 115.856 -0.611 . . . . 0.0 110.135 174.408 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 75' ' ' ARG . . . . . 0.426 HH11 ' HD3' ' A' ' 75' ' ' ARG . 15.9 ttm180 -107.08 115.95 31.07 Favored 'General case' 0 C--N 1.321 -0.664 0 CA-C-N 116.05 -0.523 . . . . 0.0 109.759 -179.177 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 76' ' ' LEU . . . . . . . . . . . . . 94.2 mt -86.57 103.26 14.9 Favored 'General case' 0 C--N 1.323 -0.564 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.746 -178.764 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 77' ' ' GLN . . . . . . . . . . . . . 13.5 mm100 -72.97 130.01 85.66 Favored Pre-proline 0 C--N 1.323 -0.545 0 N-CA-C 109.344 -0.613 . . . . 0.0 109.344 177.391 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 78' ' ' PRO . . . . . . . . . . . . . 37.0 Cg_exo -61.39 -13.29 28.15 Favored 'Trans proline' 0 C--N 1.347 0.468 0 C-N-CA 122.852 2.368 . . . . 0.0 111.77 177.171 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 79' ' ' GLN . . . . . . . . . . . . . 36.7 mt-30 -69.66 -21.42 63.53 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 115.154 -0.93 . . . . 0.0 110.357 175.871 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . 107.74 33.34 3.1 Favored Glycine 0 N--CA 1.448 -0.527 0 C-N-CA 120.981 -0.628 . . . . 0.0 112.293 -179.202 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 81' ' ' GLN . . . . . . . . . . . . . 98.8 mt-30 -127.58 141.26 51.68 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-O 120.845 0.355 . . . . 0.0 111.099 -178.024 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 82' ' ' ILE . . . . . . . . . . . . . 56.3 mt -103.36 99.43 8.39 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.708 0 N-CA-C 108.926 -0.768 . . . . 0.0 108.926 173.508 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 83' ' ' VAL . . . . . . . . . . . . . 41.4 t -110.3 129.54 65.17 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.638 0 CA-C-N 116.045 -0.525 . . . . 0.0 109.887 -178.16 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 84' ' ' LEU . . . . . . . . . . . . . 9.9 mp -82.07 145.77 30.01 Favored 'General case' 0 C--N 1.321 -0.664 0 CA-C-O 121.177 0.513 . . . . 0.0 111.026 -178.837 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 85' ' ' SER . . . . . . . . . . . . . 21.4 m -133.4 159.09 41.36 Favored 'General case' 0 C--N 1.319 -0.727 0 CA-C-N 115.681 -0.691 . . . . 0.0 109.633 -179.804 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 86' ' ' ARG . . . . . . . . . . . . . 56.2 ttt180 -100.7 103.13 14.38 Favored 'General case' 0 C--N 1.325 -0.478 0 CA-C-O 121.072 0.463 . . . . 0.0 110.735 -179.547 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 87' ' ' LEU . . . . . . . . . . . . . 3.6 mm? -96.03 142.91 25.23 Favored Pre-proline 0 C--N 1.321 -0.669 0 CA-C-N 115.791 -0.64 . . . . 0.0 110.121 177.789 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 88' ' ' PRO . . . . . . . . . . . . . 90.7 Cg_endo -77.09 -150.89 0.04 OUTLIER 'Trans proline' 0 CA--C 1.536 0.592 0 C-N-CA 123.077 2.518 . . . . 0.0 111.97 178.62 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 89' ' ' THR . . . . . . . . . . . . . 8.0 m -35.86 114.04 0.25 Allowed 'General case' 0 CA--C 1.532 0.269 0 C-N-CA 123.591 0.757 . . . . 0.0 112.477 176.607 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 90' ' ' ALA . . . . . . . . . . . . . . . -99.79 -179.72 4.26 Favored 'General case' 0 N--CA 1.451 -0.42 0 CA-C-N 116.017 -0.538 . . . . 0.0 110.463 -179.111 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 91' ' ' ASN . . . . . . . . . . . . . 6.6 p30 -58.18 -38.05 75.92 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-O 120.535 0.207 . . . . 0.0 110.811 -179.125 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 92' ' ' GLY . . . . . . . . . . . . . . . -70.96 -8.99 65.51 Favored Glycine 0 CA--C 1.52 0.348 0 C-N-CA 121.07 -0.586 . . . . 0.0 112.459 178.242 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 31.9 m-20 -102.4 -1.18 31.3 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-O 121.018 0.437 . . . . 0.0 110.132 177.356 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 94' ' ' GLY . . . . . . . . . . . . . . . 95.52 10.06 57.17 Favored Glycine 0 N--CA 1.449 -0.439 0 C-N-CA 120.907 -0.663 . . . . 0.0 112.293 -176.79 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 95' ' ' GLY . . . . . . . . . . . . . . . -107.65 61.87 0.31 Allowed Glycine 0 N--CA 1.448 -0.503 0 N-CA-C 111.54 -0.624 . . . . 0.0 111.54 177.473 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 96' ' ' ALA . . . . . . . . . . . . . . . -91.83 103.75 16.27 Favored 'General case' 0 C--N 1.322 -0.622 0 CA-C-O 120.658 0.265 . . . . 0.0 110.753 -179.095 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 97' ' ' LEU . . . . . 0.451 ' HG ' ' O ' ' A' ' 100' ' ' ASP . 6.2 mp 57.53 60.97 2.63 Favored 'General case' 0 CA--C 1.519 -0.221 0 CA-C-N 115.806 -0.634 . . . . 0.0 111.108 177.728 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 98' ' ' ALA . . . . . . . . . . . . . . . -65.67 -18.56 65.42 Favored 'General case' 0 C--N 1.328 -0.36 0 N-CA-C 108.376 -0.972 . . . . 0.0 108.376 168.574 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 99' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -149.09 -76.87 0.16 Allowed 'General case' 0 N--CA 1.442 -0.841 0 CA-C-N 114.237 -1.347 . . . . 0.0 109.064 173.996 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 100' ' ' ASP . . . . . 0.482 ' HB3' ' HA ' ' A' ' 105' ' ' LEU . 20.5 t70 -106.97 -73.38 0.69 Allowed 'General case' 0 C--N 1.328 -0.357 0 CA-C-O 121.265 0.555 . . . . 0.0 111.963 -174.925 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 64.2 m -102.89 -70.32 0.76 Allowed 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 115.76 -0.654 . . . . 0.0 110.787 179.793 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 102' ' ' LEU . . . . . . . . . . . . . 39.4 mt -114.28 -72.27 0.71 Allowed 'General case' 0 C--N 1.326 -0.414 0 N-CA-C 108.937 -0.764 . . . . 0.0 108.937 177.111 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 103' ' ' THR . . . . . . . . . . . . . 6.0 m -130.9 -45.03 1.05 Allowed 'General case' 0 C--N 1.323 -0.579 0 CA-C-N 115.378 -0.828 . . . . 0.0 109.096 173.818 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 104' ' ' VAL . . . . . . . . . . . . . 39.5 t -79.7 152.7 4.67 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 CA-C-N 115.004 -0.998 . . . . 0.0 110.21 178.529 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 105' ' ' LEU . . . . . 0.482 ' HA ' ' HB3' ' A' ' 100' ' ' ASP . 6.5 mp -89.28 130.36 35.69 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.459 -0.337 . . . . 0.0 110.284 178.475 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 106' ' ' GLY . . . . . . . . . . . . . . . 91.55 -56.58 3.08 Favored Glycine 0 N--CA 1.449 -0.486 0 C-N-CA 120.694 -0.765 . . . . 0.0 112.217 178.507 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 107' ' ' ALA . . . . . . . . . . . . . . . -88.16 115.54 25.72 Favored 'General case' 0 C--N 1.321 -0.643 0 CA-C-O 120.689 0.28 . . . . 0.0 110.301 178.663 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 108' ' ' GLY . . . . . . . . . . . . . . . -171.86 19.93 0.06 OUTLIER Glycine 0 N--CA 1.446 -0.67 0 C-N-CA 120.418 -0.896 . . . . 0.0 113.219 179.354 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 109' ' ' GLY . . . . . . . . . . . . . . . -87.94 98.21 2.38 Favored Glycine 0 N--CA 1.448 -0.559 0 C-N-CA 120.129 -1.034 . . . . 0.0 111.219 176.478 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 110' ' ' ASN . . . . . . . . . . . . . 4.5 p-10 -88.94 137.95 31.85 Favored 'General case' 0 C--N 1.324 -0.54 0 CA-C-O 121.234 0.54 . . . . 0.0 110.978 -175.754 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 111' ' ' ASN . . . . . 0.484 ' HA ' ' HA ' ' A' ' 64' ' ' ARG . 14.4 m120 -86.41 49.48 1.81 Allowed 'General case' 0 C--N 1.322 -0.595 0 CA-C-N 115.716 -0.675 . . . . 0.0 110.87 -179.274 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 112' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.249 1.052 0 CA-C-N 115.845 -0.616 . . . . 0.0 110.073 -178.455 . . . . . . . . 0 0 . 1 . 013 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 19.1 m . . . . . 0 N--CA 1.476 0.832 0 N-CA-C 109.857 -0.423 . . . . 0.0 109.857 . . . . . . . . . 0 0 . 1 . 013 nuclear orig full ' A' A ' 7' ' ' MET . . . . . . . . . . . . . 15.7 tpt -163.54 -40.39 0.03 OUTLIER 'General case' 0 C--N 1.327 -0.398 0 CA-C-O 120.825 0.345 . . . . 0.0 111.173 -177.407 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -62.8 -30.44 71.48 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.279 -0.419 . . . . 0.0 111.744 -176.342 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 9' ' ' GLN . . . . . . . . . . . . . 32.0 mm-40 -100.36 6.12 44.48 Favored 'General case' 0 C--N 1.325 -0.497 0 CA-C-O 120.734 0.302 . . . . 0.0 110.717 179.138 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -101.47 -51.21 3.53 Favored 'General case' 0 C--N 1.326 -0.413 0 CA-C-N 116.266 -0.425 . . . . 0.0 110.561 178.416 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -84.4 97.01 9.26 Favored 'General case' 0 C--N 1.324 -0.508 0 CA-C-N 116.019 -0.537 . . . . 0.0 110.262 179.363 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 8.5 tt0 -79.91 103.28 9.7 Favored 'General case' 0 C--N 1.323 -0.551 0 CA-C-N 116.141 -0.482 . . . . 0.0 110.425 -178.692 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 24.8 mt-30 -91.94 134.74 34.51 Favored 'General case' 0 C--N 1.322 -0.59 0 CA-C-N 115.98 -0.554 . . . . 0.0 109.784 178.242 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 14' ' ' LYS . . . . . 0.573 ' HB2' ' CE2' ' A' ' 16' ' ' PHE . 29.1 mmmt -108.72 149.32 29.17 Favored 'General case' 0 C--N 1.322 -0.612 0 N-CA-C 109.869 -0.419 . . . . 0.0 109.869 -175.307 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 15' ' ' ASN . . . . . . . . . . . . . 4.4 m-20 -80.44 99.45 8.0 Favored 'General case' 0 C--N 1.321 -0.673 0 CA-C-N 116.461 -0.336 . . . . 0.0 110.482 -178.781 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 16' ' ' PHE . . . . . 0.573 ' CE2' ' HB2' ' A' ' 14' ' ' LYS . 59.6 m-85 -103.18 136.97 41.98 Favored 'General case' 0 C--N 1.324 -0.542 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.039 -179.158 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 15.6 m120 -137.91 89.82 2.44 Favored 'General case' 0 C--N 1.325 -0.477 0 CA-C-N 115.74 -0.664 . . . . 0.0 109.733 179.42 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 18' ' ' ILE . . . . . . . . . . . . . 17.0 mm -112.65 110.05 30.8 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.689 0 CA-C-N 115.801 -0.636 . . . . 0.0 110.368 -175.362 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 19' ' ' ALA . . . . . 0.411 ' O ' ' HG3' ' A' ' 21' ' ' GLN . . . -67.45 158.45 31.78 Favored 'General case' 0 C--N 1.325 -0.486 0 N-CA-C 109.233 -0.654 . . . . 0.0 109.233 173.32 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -69.29 102.35 1.71 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 121.322 0.582 . . . . 0.0 110.714 -176.35 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 21' ' ' GLN . . . . . 0.411 ' HG3' ' O ' ' A' ' 19' ' ' ALA . 67.8 mt-30 -106.96 172.55 3.75 Favored Pre-proline 0 C--N 1.323 -0.584 0 CA-C-N 115.049 -0.978 . . . . 0.0 110.612 179.119 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 22' ' ' PRO . . . . . . . . . . . . . 35.0 Cg_exo -59.65 130.04 33.56 Favored 'Trans proline' 0 C--N 1.349 0.568 0 C-N-CA 121.857 1.705 . . . . 0.0 109.369 165.337 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -49.31 -43.51 43.54 Favored 'General case' 0 N--CA 1.469 0.495 0 N-CA-C 112.987 0.736 . . . . 0.0 112.987 -167.339 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 24' ' ' GLN . . . . . 0.569 ' O ' ' HG ' ' A' ' 28' ' ' LEU . 80.2 mt-30 -62.74 -50.24 71.87 Favored 'General case' 0 C--N 1.325 -0.47 0 CA-C-O 120.728 0.299 . . . . 0.0 110.696 -179.111 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 17.5 m -72.19 -25.37 61.65 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-O 120.985 0.421 . . . . 0.0 110.826 179.946 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -56.47 -54.8 41.47 Favored 'General case' 0 CA--C 1.512 -0.507 0 CA-C-N 115.611 -0.722 . . . . 0.0 111.213 179.489 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 27' ' ' MET . . . . . 0.614 ' HB2' ' CG1' ' A' ' 38' ' ' VAL . 18.9 mmt -78.41 -13.69 59.73 Favored 'General case' 0 C--N 1.318 -0.804 0 CA-C-N 115.207 -0.906 . . . . 0.0 111.058 -173.728 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 28' ' ' LEU . . . . . 0.569 ' HG ' ' O ' ' A' ' 24' ' ' GLN . 77.1 mt -70.47 -24.07 62.8 Favored 'General case' 0 C--N 1.324 -0.536 0 C-N-CA 119.998 -0.681 . . . . 0.0 109.289 172.59 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 29' ' ' ARG . . . . . 0.572 ' HA ' ' NE ' ' A' ' 29' ' ' ARG . 2.4 mmp_? -84.97 -50.46 7.46 Favored 'General case' 0 C--N 1.325 -0.484 0 CA-C-N 116.292 -0.413 . . . . 0.0 110.074 173.949 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 30' ' ' PHE . . . . . 0.424 ' HB3' ' HA ' ' A' ' 27' ' ' MET . 38.4 t80 -62.1 -55.93 23.93 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 115.833 -0.621 . . . . 0.0 111.648 179.896 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -72.29 -42.77 65.13 Favored 'General case' 0 C--N 1.322 -0.629 0 CA-C-N 116.141 -0.481 . . . . 0.0 112.103 -171.467 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 32' ' ' GLU . . . . . 0.489 ' HB2' ' O ' ' A' ' 28' ' ' LEU . 5.3 mm-40 -65.3 -22.72 66.87 Favored 'General case' 0 N--CA 1.465 0.316 0 C-N-CA 120.567 -0.453 . . . . 0.0 111.25 -176.66 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 33' ' ' GLN . . . . . . . . . . . . . 24.9 mm-40 -79.17 -29.49 43.02 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-O 120.992 0.425 . . . . 0.0 110.366 173.327 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -89.32 -9.85 48.95 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.006 -0.543 . . . . 0.0 111.546 179.624 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 97.32 27.79 9.01 Favored Glycine 0 CA--C 1.52 0.399 0 C-N-CA 121.059 -0.591 . . . . 0.0 112.704 178.851 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 36' ' ' MET . . . . . . . . . . . . . 71.8 mtm -136.69 175.56 9.5 Favored 'General case' 0 C--N 1.324 -0.522 0 C-N-CA 122.6 0.36 . . . . 0.0 110.392 -178.787 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 37' ' ' GLN . . . . . 0.513 ' O ' ' HA ' ' A' ' 81' ' ' GLN . 53.7 tt0 -152.57 160.95 43.18 Favored 'General case' 0 C--N 1.324 -0.537 0 N-CA-C 109.025 -0.731 . . . . 0.0 109.025 176.878 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 38' ' ' VAL . . . . . 0.614 ' CG1' ' HB2' ' A' ' 27' ' ' MET . 31.6 m -76.97 145.54 10.05 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.389 0 CA-C-O 120.806 0.336 . . . . 0.0 111.227 -176.578 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 39' ' ' PHE . . . . . . . . . . . . . 92.5 t80 -115.04 98.62 6.91 Favored 'General case' 0 C--N 1.324 -0.529 0 N-CA-C 109.645 -0.502 . . . . 0.0 109.645 174.683 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 40' ' ' PHE . . . . . . . . . . . . . 93.1 m-85 -146.92 137.1 23.48 Favored 'General case' 0 C--N 1.321 -0.649 0 CA-C-N 115.638 -0.71 . . . . 0.0 109.595 179.013 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 8.7 p-10 -83.77 -159.64 0.39 Allowed 'General case' 0 C--N 1.325 -0.475 0 N-CA-C 109.411 -0.588 . . . . 0.0 109.411 177.107 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 46.4 mt-10 -67.34 89.07 0.2 Allowed 'General case' 0 C--N 1.325 -0.458 0 CA-C-O 121.179 0.514 . . . . 0.0 110.599 179.208 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 43' ' ' VAL . . . . . . . . . . . . . 7.0 p -123.02 121.27 62.75 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.68 0 CA-C-N 115.806 -0.633 . . . . 0.0 109.613 177.849 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 27.1 ttpp -125.32 100.66 6.61 Favored 'General case' 0 C--N 1.318 -0.771 0 CA-C-N 115.962 -0.563 . . . . 0.0 110.145 -177.216 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 35.0 tp -131.55 120.06 22.37 Favored 'General case' 0 C--N 1.321 -0.636 0 CA-C-N 116.043 -0.526 . . . . 0.0 110.163 -178.164 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 32.3 t70 -72.81 120.37 18.34 Favored 'General case' 0 C--N 1.323 -0.56 0 CA-C-N 116.318 -0.401 . . . . 0.0 110.228 179.693 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 123.41 4.13 8.39 Favored Glycine 0 N--CA 1.443 -0.861 0 C-N-CA 120.71 -0.757 . . . . 0.0 112.317 -177.839 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 48' ' ' MET . . . . . . . . . . . . . 53.5 mtt -75.65 117.73 17.73 Favored 'General case' 0 C--N 1.327 -0.374 0 N-CA-C 109.703 -0.48 . . . . 0.0 109.703 174.727 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 3.6 pt20 -153.21 155.47 36.7 Favored 'General case' 0 C--N 1.322 -0.626 0 CA-C-N 116.491 -0.322 . . . . 0.0 110.327 -176.42 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -102.09 145.95 28.62 Favored 'General case' 0 C--N 1.32 -0.708 0 CA-C-N 116.123 -0.489 . . . . 0.0 110.464 178.849 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -78.17 160.52 27.95 Favored 'General case' 0 C--N 1.323 -0.573 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.281 177.067 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -69.3 92.68 0.59 Allowed 'General case' 0 C--N 1.327 -0.4 0 CA-C-O 121.173 0.511 . . . . 0.0 111.154 -178.5 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 3.0 tm? -91.38 123.81 35.09 Favored 'General case' 0 C--N 1.324 -0.541 0 CA-C-N 115.572 -0.74 . . . . 0.0 109.802 -179.201 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 54' ' ' ASN . . . . . . . . . . . . . 20.3 p-10 -157.76 99.19 1.69 Allowed 'General case' 0 C--N 1.322 -0.596 0 CA-C-O 121.327 0.584 . . . . 0.0 110.49 176.43 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . 178.37 161.63 26.66 Favored Glycine 0 N--CA 1.445 -0.766 0 C-N-CA 120.335 -0.935 . . . . 0.0 112.624 179.29 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 4.0 p -84.08 99.71 10.64 Favored 'General case' 0 C--N 1.321 -0.651 0 CA-C-O 121.13 0.49 . . . . 0.0 109.772 174.211 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 57' ' ' MET . . . . . 0.437 ' HB2' ' HB2' ' A' ' 61' ' ' GLN . 23.1 ptp -155.2 168.52 26.78 Favored 'General case' 0 C--N 1.322 -0.616 0 CA-C-N 115.922 -0.581 . . . . 0.0 110.146 -174.483 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 13.3 m -99.2 178.0 5.04 Favored 'General case' 0 C--N 1.322 -0.619 0 CA-C-N 116.45 -0.341 . . . . 0.0 110.552 179.789 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 59' ' ' VAL . . . . . . . . . . . . . 24.9 t -58.85 -40.46 80.08 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.293 0 CA-C-O 120.585 0.231 . . . . 0.0 111.152 -175.774 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 22.3 mm-40 -51.67 -38.4 54.78 Favored 'General case' 0 C--N 1.331 -0.213 0 CA-C-N 115.912 -0.585 . . . . 0.0 111.589 178.671 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 61' ' ' GLN . . . . . 0.437 ' HB2' ' HB2' ' A' ' 57' ' ' MET . 32.0 mt-30 -90.95 -47.46 7.57 Favored 'General case' 0 C--N 1.323 -0.577 0 CA-C-N 115.721 -0.672 . . . . 0.0 110.49 -177.555 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 62' ' ' GLY . . . . . 0.456 ' O ' ' HB2' ' A' ' 66' ' ' LEU . . . -63.88 -59.92 7.97 Favored Glycine 0 C--O 1.225 -0.418 0 CA-C-N 115.303 -0.862 . . . . 0.0 113.034 -174.789 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 63' ' ' LEU . . . . . 0.453 ' O ' HD12 ' A' ' 63' ' ' LEU . 1.3 tm? -56.73 -38.16 71.98 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-O 121.386 0.612 . . . . 0.0 109.782 -177.478 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 64' ' ' ARG . . . . . 0.536 ' HG3' ' O ' ' A' ' 110' ' ' ASN . 47.4 ttt180 -51.12 -60.14 3.42 Favored 'General case' 0 N--CA 1.446 -0.666 0 CA-C-N 114.9 -1.046 . . . . 0.0 111.446 177.92 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 65' ' ' ARG . . . . . . . . . . . . . 96.7 mtt180 -77.46 -22.31 51.59 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 116.373 -0.376 . . . . 0.0 111.294 -178.236 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 66' ' ' LEU . . . . . 0.456 ' HB2' ' O ' ' A' ' 62' ' ' GLY . 1.0 OUTLIER -65.5 -41.53 93.14 Favored 'General case' 0 C--N 1.323 -0.554 0 CA-C-N 115.872 -0.603 . . . . 0.0 112.247 -176.122 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 67' ' ' ILE . . . . . 0.478 ' HB ' ' ND2' ' A' ' 111' ' ' ASN . 13.8 mt -90.05 -63.56 1.34 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 N-CA-C 113.541 0.941 . . . . 0.0 113.541 -170.819 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . -113.51 -61.61 0.42 Allowed Glycine 0 N--CA 1.448 -0.531 0 C-N-CA 119.095 -1.526 . . . . 0.0 114.563 -169.042 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . 91.16 -20.71 38.54 Favored Glycine 0 N--CA 1.45 -0.368 0 N-CA-C 109.885 -1.286 . . . . 0.0 109.885 -166.136 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 70' ' ' ASN . . . . . . . . . . . . . 16.7 m120 -101.54 155.91 35.81 Favored Pre-proline 0 C--N 1.329 -0.306 0 CA-C-N 114.77 -0.715 . . . . 0.0 109.595 176.153 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 71' ' ' PRO . . . . . . . . . . . . . 30.7 Cg_endo -64.69 98.21 0.29 Allowed 'Trans proline' 0 C--N 1.346 0.414 0 C-N-CA 122.625 2.217 . . . . 0.0 113.515 -177.861 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 72' ' ' VAL . . . . . 0.458 ' O ' ' HA ' ' A' ' 110' ' ' ASN . 0.2 OUTLIER -138.3 159.8 32.12 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.4 0 N-CA-C 107.01 -1.478 . . . . 0.0 107.01 171.977 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -113.71 119.26 36.78 Favored 'General case' 0 C--N 1.325 -0.483 0 CA-C-N 118.697 0.681 . . . . 0.0 112.23 -168.85 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 74' ' ' PHE . . . . . 0.448 ' CD2' HD13 ' A' ' 63' ' ' LEU . 35.3 p90 -113.27 151.47 31.06 Favored 'General case' 0 C--N 1.322 -0.6 0 N-CA-C 109.682 -0.488 . . . . 0.0 109.682 177.317 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 75' ' ' ARG . . . . . . . . . . . . . 20.4 ptp180 -136.74 137.68 40.15 Favored 'General case' 0 C--N 1.325 -0.496 0 C-N-CA 120.626 -0.429 . . . . 0.0 110.442 -179.824 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 76' ' ' LEU . . . . . 0.426 HD11 HG12 ' A' ' 82' ' ' ILE . 1.8 mm? -95.83 103.52 15.41 Favored 'General case' 0 C--N 1.323 -0.549 0 N-CA-C 109.389 -0.597 . . . . 0.0 109.389 179.008 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 77' ' ' GLN . . . . . . . . . . . . . 11.9 mm100 -67.96 144.29 97.01 Favored Pre-proline 0 C--N 1.323 -0.578 0 CA-C-N 116.367 -0.378 . . . . 0.0 110.331 -178.725 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 78' ' ' PRO . . . . . . . . . . . . . 35.1 Cg_endo -64.98 -7.13 14.31 Favored 'Trans proline' 0 C--N 1.349 0.569 0 C-N-CA 123.165 2.577 . . . . 0.0 112.984 -174.826 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 79' ' ' GLN . . . . . . . . . . . . . 24.9 mt-30 -86.92 -3.25 59.06 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-O 121.246 0.546 . . . . 0.0 110.004 175.389 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . 86.8 49.15 4.18 Favored Glycine 0 N--CA 1.443 -0.873 0 CA-C-N 115.622 -0.717 . . . . 0.0 111.64 -177.618 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 81' ' ' GLN . . . . . 0.513 ' HA ' ' O ' ' A' ' 37' ' ' GLN . 35.8 mt-30 -126.91 136.34 52.17 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-O 120.789 0.328 . . . . 0.0 110.903 -178.287 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 82' ' ' ILE . . . . . 0.426 HG12 HD11 ' A' ' 76' ' ' LEU . 39.9 mt -102.22 118.19 48.7 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.617 0 CA-C-N 115.967 -0.561 . . . . 0.0 109.764 175.542 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 83' ' ' VAL . . . . . . . . . . . . . 12.5 p -134.21 140.98 44.96 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.592 0 CA-C-O 121.069 0.461 . . . . 0.0 110.527 178.641 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 84' ' ' LEU . . . . . 0.405 ' CD1' HG21 ' A' ' 67' ' ' ILE . 1.6 tt -108.82 135.02 50.72 Favored 'General case' 0 N--CA 1.444 -0.765 0 N-CA-C 109.185 -0.672 . . . . 0.0 109.185 -177.415 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 85' ' ' SER . . . . . . . . . . . . . 10.9 p -122.21 128.37 51.1 Favored 'General case' 0 C--N 1.322 -0.63 0 N-CA-C 109.592 -0.521 . . . . 0.0 109.592 179.353 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 86' ' ' ARG . . . . . . . . . . . . . 50.5 ttp180 -88.53 95.15 10.12 Favored 'General case' 0 C--N 1.322 -0.616 0 CA-C-O 121.266 0.555 . . . . 0.0 110.633 -176.949 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 87' ' ' LEU . . . . . 0.43 ' HB3' HD23 ' A' ' 102' ' ' LEU . 3.2 mm? -93.59 152.59 40.98 Favored Pre-proline 0 C--N 1.32 -0.683 0 CA-C-N 115.55 -0.75 . . . . 0.0 109.813 175.722 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 88' ' ' PRO . . . . . . . . . . . . . 15.4 Cg_exo -69.28 -161.12 0.07 OUTLIER 'Trans proline' 0 C--N 1.347 0.493 0 C-N-CA 122.987 2.458 . . . . 0.0 113.016 -178.691 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 89' ' ' THR . . . . . . . . . . . . . 52.0 m -66.55 102.7 0.93 Allowed 'General case' 0 C--N 1.327 -0.38 0 CA-C-O 121.106 0.479 . . . . 0.0 110.975 -179.111 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 90' ' ' ALA . . . . . . . . . . . . . . . -71.45 139.55 49.69 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-N 115.944 -0.571 . . . . 0.0 110.967 -179.25 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 91' ' ' ASN . . . . . . . . . . . . . 13.8 m120 -107.98 5.96 26.7 Favored 'General case' 0 C--N 1.325 -0.482 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.935 -178.132 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 92' ' ' GLY . . . . . . . . . . . . . . . -65.79 6.1 1.54 Allowed Glycine 0 CA--C 1.524 0.652 0 CA-C-N 115.945 -0.57 . . . . 0.0 113.803 -176.733 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 9.1 p-10 -89.19 -1.73 58.2 Favored 'General case' 0 C--N 1.324 -0.508 0 CA-C-O 121.252 0.548 . . . . 0.0 109.767 174.741 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 94' ' ' GLY . . . . . . . . . . . . . . . 92.97 19.08 37.73 Favored Glycine 0 N--CA 1.448 -0.564 0 CA-C-N 115.647 -0.706 . . . . 0.0 111.477 -176.542 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 95' ' ' GLY . . . . . . . . . . . . . . . -78.06 -41.17 18.71 Favored Glycine 0 N--CA 1.448 -0.515 0 C-N-CA 120.927 -0.654 . . . . 0.0 112.987 -177.774 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 96' ' ' ALA . . . . . . . . . . . . . . . -162.46 168.13 22.47 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-O 120.789 0.328 . . . . 0.0 110.864 -176.929 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 97' ' ' LEU . . . . . . . . . . . . . 93.3 mt -101.87 22.76 12.44 Favored 'General case' 0 C--N 1.324 -0.536 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.894 -179.213 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 98' ' ' ALA . . . . . . . . . . . . . . . -81.53 -64.34 1.2 Allowed 'General case' 0 C--N 1.323 -0.583 0 CA-C-O 121.139 0.495 . . . . 0.0 109.826 176.109 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 99' ' ' LEU . . . . . . . . . . . . . 84.4 mt -118.05 47.96 1.49 Allowed 'General case' 0 C--N 1.323 -0.556 0 CA-C-N 115.658 -0.701 . . . . 0.0 110.281 179.488 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 100' ' ' ASP . . . . . . . . . . . . . 10.8 p-10 -75.93 -31.83 59.31 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.325 -0.398 . . . . 0.0 111.154 -178.121 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 33.8 m -86.34 0.7 53.37 Favored 'General case' 0 C--N 1.325 -0.472 0 CA-C-O 120.929 0.395 . . . . 0.0 111.092 179.746 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 102' ' ' LEU . . . . . 0.43 HD23 ' HB3' ' A' ' 87' ' ' LEU . 36.0 tp -65.82 -30.65 71.31 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.906 -178.249 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 103' ' ' THR . . . . . . . . . . . . . 7.1 p -79.7 -17.86 52.65 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.151 179.675 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 104' ' ' VAL . . . . . . . . . . . . . 46.4 t -78.56 89.66 1.22 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.422 0 CA-C-N 116.029 -0.532 . . . . 0.0 110.057 -179.803 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 105' ' ' LEU . . . . . . . . . . . . . 62.4 tp -117.62 -19.64 9.3 Favored 'General case' 0 C--N 1.321 -0.643 0 CA-C-N 115.764 -0.653 . . . . 0.0 110.411 -179.481 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 106' ' ' GLY . . . . . . . . . . . . . . . 81.18 -89.11 1.37 Allowed Glycine 0 N--CA 1.446 -0.662 0 C-N-CA 120.677 -0.773 . . . . 0.0 111.568 -176.902 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 107' ' ' ALA . . . . . . . . . . . . . . . -88.56 111.64 22.11 Favored 'General case' 0 C--N 1.323 -0.565 0 N-CA-C 110.146 -0.316 . . . . 0.0 110.146 177.345 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 108' ' ' GLY . . . . . . . . . . . . . . . 132.81 174.27 13.56 Favored Glycine 0 N--CA 1.447 -0.587 0 C-N-CA 120.907 -0.663 . . . . 0.0 111.749 -177.791 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 109' ' ' GLY . . . . . . . . . . . . . . . -159.84 -160.65 10.67 Favored Glycine 0 N--CA 1.448 -0.528 0 C-N-CA 120.869 -0.681 . . . . 0.0 112.066 -178.178 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 110' ' ' ASN . . . . . 0.536 ' O ' ' HG3' ' A' ' 64' ' ' ARG . 9.4 p30 -124.38 153.69 41.48 Favored 'General case' 0 C--N 1.324 -0.533 0 CA-C-O 120.609 0.242 . . . . 0.0 110.402 -179.395 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 111' ' ' ASN . . . . . 0.478 ' ND2' ' HB ' ' A' ' 67' ' ' ILE . 18.4 m120 -88.55 21.67 2.86 Favored 'General case' 0 C--N 1.327 -0.373 0 N-CA-C 112.279 0.474 . . . . 0.0 112.279 -175.408 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 112' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.246 0.904 0 CA-C-O 118.278 -0.867 . . . . 0.0 110.753 -179.509 . . . . . . . . 0 0 . 1 . 014 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 14.7 p . . . . . 0 N--CA 1.479 0.994 0 CA-C-O 120.786 0.327 . . . . 0.0 111.493 . . . . . . . . . 0 0 . 1 . 014 nuclear orig full ' A' A ' 7' ' ' MET . . . . . . . . . . . . . 64.2 mtt -120.64 43.65 2.69 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-O 120.91 0.386 . . . . 0.0 110.541 179.002 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -64.8 -41.18 96.02 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 116.125 -0.489 . . . . 0.0 111.359 -177.796 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 9' ' ' GLN . . . . . . . . . . . . . 23.0 mt-30 -75.67 -31.35 59.73 Favored 'General case' 0 C--N 1.325 -0.473 0 CA-C-N 116.345 -0.389 . . . . 0.0 110.75 -177.295 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -75.17 -23.02 57.69 Favored 'General case' 0 C--N 1.325 -0.467 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.834 178.14 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . 64.16 -171.99 0.18 Allowed 'General case' 0 C--O 1.233 0.227 0 CA-C-N 115.436 -0.802 . . . . 0.0 111.349 178.355 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 10.7 pt20 -112.02 99.66 8.26 Favored 'General case' 0 C--N 1.322 -0.619 0 CA-C-N 115.88 -0.6 . . . . 0.0 110.139 177.432 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 26.8 mt-30 -96.03 117.22 30.24 Favored 'General case' 0 C--N 1.321 -0.673 0 CA-C-O 121.05 0.452 . . . . 0.0 110.604 178.556 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 14' ' ' LYS . . . . . 0.46 ' HB2' ' CE2' ' A' ' 16' ' ' PHE . 46.0 mmtm -109.85 146.37 35.19 Favored 'General case' 0 C--N 1.315 -0.904 0 CA-C-N 115.63 -0.714 . . . . 0.0 109.646 176.204 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 15' ' ' ASN . . . . . . . . . . . . . 4.8 m-20 -80.0 103.25 9.76 Favored 'General case' 0 C--N 1.322 -0.587 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.244 179.973 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 16' ' ' PHE . . . . . 0.46 ' CE2' ' HB2' ' A' ' 14' ' ' LYS . 68.2 m-85 -109.68 132.59 54.01 Favored 'General case' 0 C--N 1.321 -0.657 0 CA-C-N 115.851 -0.613 . . . . 0.0 110.745 -179.548 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 48.5 t-20 -143.07 100.56 3.66 Favored 'General case' 0 C--N 1.322 -0.615 0 N-CA-C 108.735 -0.839 . . . . 0.0 108.735 173.777 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 18' ' ' ILE . . . . . . . . . . . . . 5.6 mt -123.46 110.06 25.04 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.648 0 CA-C-N 116.065 -0.516 . . . . 0.0 110.42 -176.266 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -63.85 147.65 51.31 Favored 'General case' 0 C--N 1.326 -0.427 0 N-CA-C 108.991 -0.744 . . . . 0.0 108.991 172.333 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -63.36 103.41 0.5 Allowed 'General case' 0 C--N 1.33 -0.254 0 CA-C-O 121.602 0.715 . . . . 0.0 111.248 -173.383 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 21' ' ' GLN . . . . . . . . . . . . . 38.8 mt-30 -106.38 172.57 3.8 Favored Pre-proline 0 C--N 1.317 -0.821 0 CA-C-N 114.727 -1.124 . . . . 0.0 109.953 175.685 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 22' ' ' PRO . . . . . . . . . . . . . 69.7 Cg_exo -52.66 135.01 55.47 Favored 'Trans proline' 0 C--N 1.345 0.393 0 C-N-CA 121.819 1.68 . . . . 0.0 109.867 166.327 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -55.07 -34.58 63.73 Favored 'General case' 0 N--CA 1.463 0.21 0 CA-C-N 115.385 -0.825 . . . . 0.0 112.148 -168.35 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 18.1 mp0 -65.07 -47.0 78.83 Favored 'General case' 0 C--N 1.325 -0.462 0 CA-C-O 120.987 0.422 . . . . 0.0 110.174 179.718 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 12.7 m -74.81 -30.54 61.44 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-N 115.717 -0.674 . . . . 0.0 110.864 -178.404 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -56.78 -57.95 10.21 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 115.93 -0.577 . . . . 0.0 111.253 -179.268 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 27' ' ' MET . . . . . 0.572 ' HB2' ' CG2' ' A' ' 38' ' ' VAL . 10.8 mmt -82.73 -14.08 55.18 Favored 'General case' 0 CA--C 1.507 -0.676 0 CA-C-N 116.03 -0.532 . . . . 0.0 110.274 -177.409 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 28' ' ' LEU . . . . . 0.62 ' O ' ' HG3' ' A' ' 32' ' ' GLU . 9.7 tt -61.42 -47.83 83.96 Favored 'General case' 0 C--N 1.322 -0.596 0 N-CA-C 107.833 -1.173 . . . . 0.0 107.833 169.279 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 29' ' ' ARG . . . . . 0.419 ' HD3' ' OE1' ' A' ' 32' ' ' GLU . 25.7 mmt180 -64.03 -47.19 81.22 Favored 'General case' 0 C--N 1.331 -0.213 0 CA-C-N 116.035 -0.53 . . . . 0.0 111.596 178.791 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 30' ' ' PHE . . . . . 0.435 ' CE2' HD21 ' A' ' 63' ' ' LEU . 6.3 t80 -61.69 -56.21 22.18 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-O 121.133 0.492 . . . . 0.0 110.848 177.695 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -68.33 -17.45 64.26 Favored 'General case' 0 C--N 1.324 -0.529 0 CA-C-N 115.847 -0.615 . . . . 0.0 111.208 -174.053 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 32' ' ' GLU . . . . . 0.62 ' HG3' ' O ' ' A' ' 28' ' ' LEU . 18.9 mt-10 -55.86 -31.97 63.24 Favored 'General case' 0 N--CA 1.47 0.536 0 CA-C-O 120.95 0.405 . . . . 0.0 110.737 171.971 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 33' ' ' GLN . . . . . . . . . . . . . 70.7 mt-30 -84.19 -33.2 24.22 Favored 'General case' 0 C--N 1.325 -0.478 0 CA-C-O 121.011 0.434 . . . . 0.0 110.671 -179.315 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -85.22 -26.12 26.91 Favored 'General case' 0 C--N 1.323 -0.557 0 CA-C-N 115.932 -0.577 . . . . 0.0 111.829 -175.046 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 100.1 33.3 5.25 Favored Glycine 0 N--CA 1.45 -0.418 0 C-N-CA 121.138 -0.553 . . . . 0.0 112.08 -179.299 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 36' ' ' MET . . . . . . . . . . . . . 1.1 mpp? -135.5 176.65 8.49 Favored 'General case' 0 C--N 1.323 -0.55 0 CA-C-O 120.896 0.379 . . . . 0.0 110.832 -175.573 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 37' ' ' GLN . . . . . . . . . . . . . 36.0 tt0 -150.41 159.98 44.08 Favored 'General case' 0 C--N 1.323 -0.56 0 N-CA-C 108.985 -0.746 . . . . 0.0 108.985 177.461 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 38' ' ' VAL . . . . . 0.572 ' CG2' ' HB2' ' A' ' 27' ' ' MET . 60.1 t -77.44 133.13 31.31 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-O 120.666 0.27 . . . . 0.0 110.504 -178.241 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 39' ' ' PHE . . . . . . . . . . . . . 85.0 t80 -119.59 125.49 48.91 Favored 'General case' 0 C--N 1.326 -0.428 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.861 -179.885 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 40' ' ' PHE . . . . . . . . . . . . . 8.0 m-85 -90.31 101.06 13.78 Favored 'General case' 0 C--N 1.321 -0.638 0 CA-C-N 115.782 -0.644 . . . . 0.0 110.511 177.712 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 26.7 t70 -82.94 -67.79 0.76 Allowed 'General case' 0 C--N 1.326 -0.415 0 N-CA-C 109.634 -0.506 . . . . 0.0 109.634 177.381 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 42.0 mt-10 -136.79 87.79 2.32 Favored 'General case' 0 C--N 1.321 -0.642 0 CA-C-N 115.944 -0.571 . . . . 0.0 109.762 172.594 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 43' ' ' VAL . . . . . . . . . . . . . 5.1 p -165.04 119.83 0.12 Allowed 'Isoleucine or valine' 0 C--N 1.319 -0.728 0 CA-C-O 121.351 0.596 . . . . 0.0 110.834 179.433 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 26.9 ttpp -126.52 90.67 3.21 Favored 'General case' 0 C--N 1.321 -0.652 0 CA-C-N 115.627 -0.715 . . . . 0.0 109.584 177.521 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 89.1 mt -129.52 99.14 5.07 Favored 'General case' 0 C--N 1.32 -0.701 0 CA-C-N 115.95 -0.568 . . . . 0.0 109.952 -179.718 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 6.9 p-10 -73.63 131.15 41.37 Favored 'General case' 0 C--N 1.322 -0.587 0 N-CA-C 109.638 -0.504 . . . . 0.0 109.638 177.355 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 87.37 21.96 46.26 Favored Glycine 0 N--CA 1.445 -0.727 0 C-N-CA 120.5 -0.857 . . . . 0.0 112.189 -178.498 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 48' ' ' MET . . . . . . . . . . . . . 13.3 ptp -70.08 133.85 47.6 Favored 'General case' 0 C--O 1.234 0.252 0 CA-C-O 120.921 0.391 . . . . 0.0 110.407 177.891 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 79.1 mt-30 -132.04 165.57 23.69 Favored 'General case' 0 C--N 1.322 -0.587 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.88 -176.249 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -107.46 167.36 9.99 Favored 'General case' 0 C--N 1.321 -0.631 0 CA-C-N 115.77 -0.65 . . . . 0.0 110.111 177.871 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -86.93 167.81 13.95 Favored 'General case' 0 C--N 1.323 -0.544 0 CA-C-N 116.318 -0.401 . . . . 0.0 110.721 179.578 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -74.66 89.24 2.23 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-O 121.274 0.559 . . . . 0.0 110.769 -179.571 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 53' ' ' LEU . . . . . 0.437 ' HG ' ' HG ' ' A' ' 66' ' ' LEU . 2.8 tm? -80.3 123.24 27.81 Favored 'General case' 0 C--N 1.32 -0.689 0 CA-C-N 115.423 -0.808 . . . . 0.0 110.177 -178.065 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 54' ' ' ASN . . . . . . . . . . . . . 44.7 t30 -154.32 99.47 2.21 Favored 'General case' 0 C--N 1.322 -0.587 0 N-CA-C 109.91 -0.404 . . . . 0.0 109.91 174.442 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . 177.45 162.32 27.45 Favored Glycine 0 N--CA 1.447 -0.63 0 C-N-CA 120.342 -0.932 . . . . 0.0 112.818 178.548 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 12.6 p -94.07 113.28 25.22 Favored 'General case' 0 C--N 1.321 -0.636 0 N-CA-C 109.344 -0.613 . . . . 0.0 109.344 173.373 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 57' ' ' MET . . . . . 0.592 ' SD ' ' HA2' ' A' ' 62' ' ' GLY . 19.3 ptp -157.85 -178.96 7.7 Favored 'General case' 0 C--N 1.324 -0.537 0 CA-C-N 116.498 -0.319 . . . . 0.0 110.79 -172.994 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 14.7 m -96.09 170.43 9.28 Favored 'General case' 0 C--N 1.325 -0.477 0 CA-C-N 116.368 -0.378 . . . . 0.0 110.067 179.322 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 59' ' ' VAL . . . . . . . . . . . . . 70.9 t -54.17 -49.6 61.2 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.295 0 CA-C-O 120.796 0.332 . . . . 0.0 110.971 -179.575 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 60' ' ' GLU . . . . . 0.486 ' O ' ' HG3' ' A' ' 64' ' ' ARG . 46.8 mt-10 -53.74 -56.86 13.65 Favored 'General case' 0 C--N 1.324 -0.536 0 CA-C-N 115.595 -0.729 . . . . 0.0 111.454 -179.515 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 61' ' ' GLN . . . . . . . . . . . . . 26.8 mt-30 -63.94 -37.1 86.18 Favored 'General case' 0 C--N 1.326 -0.428 0 CA-C-N 115.992 -0.549 . . . . 0.0 111.102 -179.1 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 62' ' ' GLY . . . . . 0.592 ' HA2' ' SD ' ' A' ' 57' ' ' MET . . . -62.47 -53.42 41.9 Favored Glycine 0 N--CA 1.447 -0.631 0 CA-C-N 115.792 -0.64 . . . . 0.0 112.454 -178.931 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 63' ' ' LEU . . . . . 0.435 HD21 ' CE2' ' A' ' 30' ' ' PHE . 4.1 mm? -59.33 -38.98 81.71 Favored 'General case' 0 C--N 1.325 -0.479 0 N-CA-C 111.809 0.3 . . . . 0.0 111.809 -177.967 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 64' ' ' ARG . . . . . 0.522 ' HA ' ' HA ' ' A' ' 111' ' ' ASN . 75.0 mtp180 -56.14 -44.98 79.73 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 116.006 -0.543 . . . . 0.0 111.511 178.785 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 65' ' ' ARG . . . . . . . . . . . . . 67.8 ttt180 -80.18 -29.62 38.7 Favored 'General case' 0 C--N 1.322 -0.613 0 CA-C-O 121.104 0.478 . . . . 0.0 110.614 177.841 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 66' ' ' LEU . . . . . 0.437 ' HG ' ' HG ' ' A' ' 53' ' ' LEU . 3.5 mt -70.78 -48.85 52.12 Favored 'General case' 0 C--N 1.322 -0.596 0 CA-C-N 115.617 -0.72 . . . . 0.0 112.803 -174.871 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 67' ' ' ILE . . . . . 0.429 HG12 ' HE2' ' A' ' 27' ' ' MET . 60.9 mt -88.54 -65.25 0.98 Allowed 'Isoleucine or valine' 0 C--N 1.331 -0.226 0 N-CA-C 113.359 0.874 . . . . 0.0 113.359 -170.255 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 68' ' ' GLY . . . . . 0.416 ' C ' ' H ' ' A' ' 70' ' ' ASN . . . -114.36 -62.17 0.4 Allowed Glycine 0 N--CA 1.448 -0.534 0 C-N-CA 119.046 -1.549 . . . . 0.0 115.475 -165.838 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . 85.63 -21.11 15.3 Favored Glycine 0 N--CA 1.449 -0.462 0 N-CA-C 109.846 -1.301 . . . . 0.0 109.846 -164.339 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 70' ' ' ASN . . . . . 0.416 ' H ' ' C ' ' A' ' 68' ' ' GLY . 9.0 p30 -101.71 154.13 37.49 Favored Pre-proline 0 C--N 1.329 -0.325 0 CA-C-N 114.748 -0.726 . . . . 0.0 109.299 174.542 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 71' ' ' PRO . . . . . . . . . . . . . 29.5 Cg_endo -63.73 98.59 0.24 Allowed 'Trans proline' 0 C--N 1.347 0.487 0 C-N-CA 122.461 2.107 . . . . 0.0 113.051 -177.232 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 72' ' ' VAL . . . . . . . . . . . . . 14.2 p -144.1 145.22 22.01 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.57 0 N-CA-C 107.779 -1.193 . . . . 0.0 107.779 173.606 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 73' ' ' ALA . . . . . 0.565 ' HA ' ' O ' ' A' ' 109' ' ' GLY . . . -97.45 139.69 33.01 Favored 'General case' 0 C--N 1.321 -0.672 0 CA-C-O 121.001 0.429 . . . . 0.0 112.107 -167.231 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 74' ' ' PHE . . . . . . . . . . . . . 5.5 p90 -123.4 131.42 53.64 Favored 'General case' 0 C--N 1.323 -0.568 0 CA-C-N 115.874 -0.603 . . . . 0.0 109.751 174.907 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 75' ' ' ARG . . . . . . . . . . . . . 76.7 mtp180 -110.48 114.91 28.7 Favored 'General case' 0 C--N 1.32 -0.676 0 CA-C-O 120.991 0.424 . . . . 0.0 110.63 -179.626 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 76' ' ' LEU . . . . . . . . . . . . . 46.3 mt -86.32 99.26 11.46 Favored 'General case' 0 C--N 1.322 -0.618 0 CA-C-N 115.588 -0.733 . . . . 0.0 109.685 179.388 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 77' ' ' GLN . . . . . . . . . . . . . 88.2 mt-30 -104.88 132.4 20.92 Favored Pre-proline 0 C--N 1.323 -0.586 0 CA-C-O 120.868 0.366 . . . . 0.0 111.21 -175.886 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 78' ' ' PRO . . . . . . . . . . . . . 37.7 Cg_endo -65.74 -5.23 11.36 Favored 'Trans proline' 0 C--N 1.347 0.487 0 C-N-CA 123.446 2.764 . . . . 0.0 112.394 -178.455 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 79' ' ' GLN . . . . . . . . . . . . . 78.8 mt-30 -67.05 -12.39 59.78 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 115.909 -0.587 . . . . 0.0 110.251 174.299 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . 99.13 34.52 5.09 Favored Glycine 0 N--CA 1.445 -0.726 0 CA-C-N 115.771 -0.65 . . . . 0.0 112.343 177.224 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 81' ' ' GLN . . . . . . . . . . . . . 30.0 pt20 -147.84 146.69 29.2 Favored 'General case' 0 C--N 1.325 -0.488 0 CA-C-O 121.126 0.489 . . . . 0.0 111.431 -177.338 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 82' ' ' ILE . . . . . . . . . . . . . 51.3 mt -105.56 99.8 9.24 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.594 0 N-CA-C 108.575 -0.898 . . . . 0.0 108.575 173.172 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 83' ' ' VAL . . . . . . . . . . . . . 57.2 t -88.46 118.6 34.28 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.646 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.595 -176.352 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 84' ' ' LEU . . . . . . . . . . . . . 19.3 tp -79.07 137.89 37.73 Favored 'General case' 0 C--N 1.323 -0.547 0 N-CA-C 109.111 -0.7 . . . . 0.0 109.111 175.547 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 85' ' ' SER . . . . . . . . . . . . . 50.0 m -142.47 167.23 22.58 Favored 'General case' 0 C--N 1.318 -0.797 0 CA-C-O 120.741 0.305 . . . . 0.0 110.253 -176.904 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 86' ' ' ARG . . . . . . . . . . . . . 38.1 ptt180 -106.49 164.67 11.86 Favored 'General case' 0 N--CA 1.445 -0.701 0 CA-C-N 116.429 -0.35 . . . . 0.0 110.357 179.643 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 87' ' ' LEU . . . . . 0.434 ' N ' HD21 ' A' ' 87' ' ' LEU . 1.5 pt? -136.63 146.29 54.87 Favored Pre-proline 0 C--N 1.319 -0.731 0 CA-C-N 115.945 -0.57 . . . . 0.0 109.894 -179.883 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 88' ' ' PRO . . . . . . . . . . . . . 58.9 Cg_endo -73.24 64.61 4.37 Favored 'Trans proline' 0 CA--C 1.531 0.368 0 C-N-CA 122.577 2.185 . . . . 0.0 112.089 178.441 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 89' ' ' THR . . . . . 0.417 ' OG1' ' HG ' ' A' ' 87' ' ' LEU . 4.1 m -64.99 107.01 1.37 Allowed 'General case' 0 C--N 1.326 -0.432 0 CA-C-N 115.777 -0.647 . . . . 0.0 111.388 -177.931 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 90' ' ' ALA . . . . . . . . . . . . . . . -87.24 168.64 13.02 Favored 'General case' 0 C--N 1.323 -0.574 0 CA-C-N 115.975 -0.557 . . . . 0.0 110.22 177.812 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 91' ' ' ASN . . . . . . . . . . . . . 21.2 t-20 -124.48 -23.06 4.51 Favored 'General case' 0 C--N 1.32 -0.674 0 CA-C-N 116.019 -0.537 . . . . 0.0 110.37 179.213 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 92' ' ' GLY . . . . . . . . . . . . . . . -100.75 7.24 57.49 Favored Glycine 0 N--CA 1.449 -0.448 0 C-N-CA 120.637 -0.792 . . . . 0.0 112.694 -178.715 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 7.1 p-10 -80.13 -23.6 41.06 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-O 121.049 0.452 . . . . 0.0 110.605 -178.994 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 94' ' ' GLY . . . . . . . . . . . . . . . 74.91 25.48 69.22 Favored Glycine 0 N--CA 1.449 -0.445 0 CA-C-N 115.656 -0.702 . . . . 0.0 112.708 176.403 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 95' ' ' GLY . . . . . . . . . . . . . . . 78.03 42.88 15.01 Favored Glycine 0 N--CA 1.446 -0.646 0 C-N-CA 120.842 -0.694 . . . . 0.0 111.91 179.835 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 96' ' ' ALA . . . . . . . . . . . . . . . -140.1 132.58 28.59 Favored 'General case' 0 C--N 1.323 -0.546 0 N-CA-C 110.389 -0.226 . . . . 0.0 110.389 -179.129 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 97' ' ' LEU . . . . . . . . . . . . . 96.7 mt 63.81 -168.75 0.2 Allowed 'General case' 0 C--O 1.235 0.304 0 O-C-N 123.683 0.614 . . . . 0.0 110.855 -178.918 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 98' ' ' ALA . . . . . . . . . . . . . . . 70.88 -57.89 0.58 Allowed 'General case' 0 N--CA 1.469 0.483 0 C-N-CA 123.566 0.747 . . . . 0.0 111.388 -177.747 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 99' ' ' LEU . . . . . . . . . . . . . 46.4 tp -65.03 -36.83 85.64 Favored 'General case' 0 C--N 1.325 -0.486 0 CA-C-O 121.21 0.529 . . . . 0.0 110.081 178.131 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 100' ' ' ASP . . . . . . . . . . . . . 21.5 t70 -59.05 -54.12 50.65 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 115.56 -0.746 . . . . 0.0 111.165 178.82 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 12.5 p -70.89 -14.39 62.37 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-O 121.051 0.453 . . . . 0.0 111.038 -179.277 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 102' ' ' LEU . . . . . . . . . . . . . 44.8 tp -83.59 -8.73 59.26 Favored 'General case' 0 C--N 1.325 -0.471 0 CA-C-O 121.252 0.549 . . . . 0.0 110.313 177.249 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 103' ' ' THR . . . . . . . . . . . . . 20.6 m -106.64 -22.26 12.8 Favored 'General case' 0 C--N 1.323 -0.558 0 CA-C-N 116.147 -0.479 . . . . 0.0 111.262 -177.752 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 104' ' ' VAL . . . . . . . . . . . . . 32.6 m -75.82 141.77 15.35 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-N 116.638 -0.255 . . . . 0.0 110.933 -178.589 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 105' ' ' LEU . . . . . . . . . . . . . 2.2 tm? 66.16 -72.97 0.07 Allowed 'General case' 0 N--CA 1.466 0.365 0 C-N-CA 123.549 0.74 . . . . 0.0 110.575 -176.933 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 106' ' ' GLY . . . . . . . . . . . . . . . -109.77 115.02 4.06 Favored Glycine 0 N--CA 1.446 -0.694 0 N-CA-C 111.188 -0.765 . . . . 0.0 111.188 178.148 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 107' ' ' ALA . . . . . . . . . . . . . . . -75.61 108.78 8.66 Favored 'General case' 0 C--N 1.323 -0.577 0 CA-C-O 121.154 0.502 . . . . 0.0 111.164 -177.805 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 108' ' ' GLY . . . . . . . . . . . . . . . -103.3 85.66 0.51 Allowed Glycine 0 N--CA 1.444 -0.792 0 C-N-CA 120.836 -0.697 . . . . 0.0 111.401 176.141 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 109' ' ' GLY . . . . . 0.565 ' O ' ' HA ' ' A' ' 73' ' ' ALA . . . -67.21 141.93 40.23 Favored Glycine 0 N--CA 1.449 -0.447 0 C-N-CA 120.694 -0.765 . . . . 0.0 111.769 179.998 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 110' ' ' ASN . . . . . . . . . . . . . 25.1 p-10 -90.13 124.62 34.97 Favored 'General case' 0 C--N 1.323 -0.551 0 CA-C-O 121.061 0.458 . . . . 0.0 110.809 -178.815 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 111' ' ' ASN . . . . . 0.522 ' HA ' ' HA ' ' A' ' 64' ' ' ARG . 73.4 m-20 -76.16 50.51 0.62 Allowed 'General case' 0 C--N 1.326 -0.422 0 CA-C-N 115.812 -0.631 . . . . 0.0 111.466 179.367 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 112' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.248 0.985 0 CA-C-O 118.791 -0.623 . . . . 0.0 109.791 179.325 . . . . . . . . 0 0 . 1 . 015 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 50.3 m . . . . . 0 N--CA 1.478 0.971 0 CA-C-O 121.122 0.487 . . . . 0.0 110.768 . . . . . . . . . 0 0 . 1 . 015 nuclear orig full ' A' A ' 7' ' ' MET . . . . . . . . . . . . . 26.9 ptm -83.59 -16.15 46.39 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.408 -176.903 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -74.4 -44.14 53.3 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 121.015 0.436 . . . . 0.0 110.302 178.431 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 9' ' ' GLN . . . . . . . . . . . . . 81.1 mm-40 -68.33 -19.72 64.68 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.04 -0.527 . . . . 0.0 110.48 175.756 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -92.14 7.08 44.13 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-N 115.829 -0.623 . . . . 0.0 110.962 178.929 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . 67.69 -77.2 0.05 OUTLIER 'General case' 0 N--CA 1.465 0.275 0 C-N-CA 123.543 0.737 . . . . 0.0 111.841 179.313 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 16.7 pt20 -141.33 169.51 17.48 Favored 'General case' 0 C--N 1.324 -0.521 0 CA-C-O 120.86 0.362 . . . . 0.0 111.004 -178.662 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 14.2 pt20 -147.66 124.35 11.15 Favored 'General case' 0 C--N 1.324 -0.514 0 CA-C-N 115.895 -0.593 . . . . 0.0 109.565 174.95 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 14' ' ' LYS . . . . . 0.53 ' HB2' ' CZ ' ' A' ' 16' ' ' PHE . 48.0 mmtm -132.42 163.29 29.08 Favored 'General case' 0 C--N 1.322 -0.604 0 CA-C-N 116.376 -0.375 . . . . 0.0 110.056 -177.387 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 15' ' ' ASN . . . . . . . . . . . . . 53.2 t30 -96.24 108.72 21.24 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-O 121.096 0.474 . . . . 0.0 110.052 178.276 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 16' ' ' PHE . . . . . 0.534 ' O ' ' HA ' ' A' ' 54' ' ' ASN . 82.4 m-85 -107.18 149.4 27.74 Favored 'General case' 0 C--N 1.32 -0.713 0 CA-C-N 116.061 -0.518 . . . . 0.0 110.898 -176.58 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 17' ' ' ASN . . . . . 0.406 ' HA ' ' O ' ' A' ' 53' ' ' LEU . 9.0 t30 -142.1 101.05 3.85 Favored 'General case' 0 C--N 1.324 -0.54 0 CA-C-N 115.908 -0.587 . . . . 0.0 109.439 175.774 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 18' ' ' ILE . . . . . 0.453 ' HB ' ' HB3' ' A' ' 53' ' ' LEU . 16.7 mm -120.31 113.81 41.68 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.54 0 CA-C-N 115.824 -0.626 . . . . 0.0 110.591 -174.689 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -72.46 161.48 30.76 Favored 'General case' 0 C--O 1.237 0.411 0 N-CA-C 109.351 -0.611 . . . . 0.0 109.351 172.336 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -67.37 102.48 1.11 Allowed 'General case' 0 C--N 1.331 -0.217 0 CA-C-O 121.331 0.586 . . . . 0.0 110.962 -175.616 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 21' ' ' GLN . . . . . 0.421 ' HB3' ' HD2' ' A' ' 22' ' ' PRO . 40.1 mt-30 -108.85 178.23 1.09 Allowed Pre-proline 0 C--N 1.318 -0.764 0 CA-C-N 115.103 -0.953 . . . . 0.0 110.196 175.002 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 22' ' ' PRO . . . . . 0.421 ' HD2' ' HB3' ' A' ' 21' ' ' GLN . 32.2 Cg_exo -60.84 137.1 70.43 Favored 'Trans proline' 0 C--N 1.346 0.425 0 C-N-CA 121.504 1.469 . . . . 0.0 109.453 163.986 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 24.2 tp -51.7 -39.08 57.67 Favored 'General case' 0 C--N 1.328 -0.334 0 N-CA-C 112.331 0.493 . . . . 0.0 112.331 -166.427 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 25.0 mt-30 -64.22 -52.96 56.25 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.821 0.344 . . . . 0.0 110.85 179.013 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 16.1 m -64.47 -30.78 71.81 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-O 121.17 0.51 . . . . 0.0 110.418 179.316 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -58.22 -57.4 13.04 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 115.663 -0.699 . . . . 0.0 111.104 177.352 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 27' ' ' MET . . . . . 0.464 ' HA ' ' HB3' ' A' ' 30' ' ' PHE . 48.6 mtt -74.67 -18.99 60.44 Favored 'General case' 0 C--N 1.325 -0.457 0 CA-C-N 115.81 -0.632 . . . . 0.0 110.607 -177.681 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 28' ' ' LEU . . . . . 0.424 ' O ' ' HB3' ' A' ' 32' ' ' GLU . 8.3 tt -63.58 -38.85 92.68 Favored 'General case' 0 C--N 1.322 -0.626 0 N-CA-C 108.632 -0.877 . . . . 0.0 108.632 172.187 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 29' ' ' ARG . . . . . 0.567 ' O ' ' HG2' ' A' ' 32' ' ' GLU . 35.7 mmt180 -81.61 -40.71 22.58 Favored 'General case' 0 C--N 1.332 -0.193 0 CA-C-N 115.689 -0.687 . . . . 0.0 111.468 179.73 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 30' ' ' PHE . . . . . 0.464 ' HB3' ' HA ' ' A' ' 27' ' ' MET . 37.6 t80 -62.99 -54.14 42.93 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-O 121.262 0.553 . . . . 0.0 110.502 177.13 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -70.97 -23.29 62.18 Favored 'General case' 0 N--CA 1.444 -0.769 0 CA-C-N 115.704 -0.68 . . . . 0.0 111.467 -173.865 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 32' ' ' GLU . . . . . 0.567 ' HG2' ' O ' ' A' ' 29' ' ' ARG . 8.6 pt-20 -67.53 -23.05 65.4 Favored 'General case' 0 N--CA 1.466 0.336 0 C-N-CA 119.792 -0.763 . . . . 0.0 110.437 179.422 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 33' ' ' GLN . . . . . . . . . . . . . 54.4 mt-30 -89.19 -30.18 18.74 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 121.144 0.497 . . . . 0.0 109.931 174.392 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -79.77 -26.32 40.68 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 115.706 -0.679 . . . . 0.0 112.032 -177.134 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 105.86 37.82 2.48 Favored Glycine 0 N--CA 1.453 -0.222 0 C-N-CA 121.061 -0.59 . . . . 0.0 112.197 -179.448 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 36' ' ' MET . . . . . . . . . . . . . 56.9 mtm -154.24 176.18 12.59 Favored 'General case' 0 C--N 1.328 -0.352 0 C-N-CA 123.072 0.549 . . . . 0.0 110.234 -177.593 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 37' ' ' GLN . . . . . . . . . . . . . 8.8 tt0 -141.35 143.33 33.95 Favored 'General case' 0 C--N 1.322 -0.605 0 N-CA-C 109.033 -0.729 . . . . 0.0 109.033 169.704 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 8.3 p -77.7 137.56 22.03 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 N-CA-C 110.049 -0.352 . . . . 0.0 110.049 -179.399 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 39' ' ' PHE . . . . . . . . . . . . . 90.6 t80 -131.64 137.17 48.24 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-O 121.175 0.512 . . . . 0.0 111.841 -171.797 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 40' ' ' PHE . . . . . . . . . . . . . 71.3 m-85 -134.74 162.14 33.19 Favored 'General case' 0 C--N 1.323 -0.57 0 N-CA-C 108.212 -1.033 . . . . 0.0 108.212 172.883 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 41' ' ' ASP . . . . . 0.484 ' CG ' ' H ' ' A' ' 42' ' ' GLU . 3.3 p-10 -81.81 -87.39 0.09 Allowed 'General case' 0 C--N 1.324 -0.511 0 C-N-CA 120.261 -0.576 . . . . 0.0 110.385 176.975 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 42' ' ' GLU . . . . . 0.484 ' H ' ' CG ' ' A' ' 41' ' ' ASP . 45.7 mt-10 -131.03 87.86 2.53 Favored 'General case' 0 C--N 1.317 -0.818 0 N-CA-C 108.627 -0.879 . . . . 0.0 108.627 172.688 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 43' ' ' VAL . . . . . . . . . . . . . 62.1 t -121.0 109.39 25.08 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.669 0 CA-C-N 115.79 -0.641 . . . . 0.0 111.046 -177.039 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 39.8 ttmt -102.93 89.68 3.53 Favored 'General case' 0 C--N 1.323 -0.553 0 CA-C-N 115.797 -0.638 . . . . 0.0 109.383 176.006 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 92.9 mt -142.92 137.01 29.15 Favored 'General case' 0 C--N 1.324 -0.54 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.46 -179.298 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 4.6 p-10 -130.78 155.73 46.18 Favored 'General case' 0 C--N 1.32 -0.676 0 CA-C-N 116.166 -0.47 . . . . 0.0 109.752 175.501 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 123.15 -14.1 8.37 Favored Glycine 0 N--CA 1.444 -0.802 0 C-N-CA 120.384 -0.913 . . . . 0.0 112.594 179.465 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 48' ' ' MET . . . . . . . . . . . . . 5.1 mpp? -63.77 139.92 58.82 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 120.988 0.423 . . . . 0.0 110.567 178.332 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 21.0 mt-30 -106.06 120.95 43.1 Favored 'General case' 0 C--N 1.32 -0.692 0 CA-C-N 116.079 -0.51 . . . . 0.0 110.476 -177.204 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -83.54 101.13 11.23 Favored 'General case' 0 C--N 1.324 -0.52 0 N-CA-C 109.491 -0.559 . . . . 0.0 109.491 175.478 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -60.99 155.79 19.22 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 115.68 -0.691 . . . . 0.0 111.096 -177.744 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -55.49 109.34 0.54 Allowed 'General case' 0 C--N 1.331 -0.209 0 CA-C-N 115.75 -0.659 . . . . 0.0 110.914 -178.274 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 53' ' ' LEU . . . . . 0.453 ' HB3' ' HB ' ' A' ' 18' ' ' ILE . 1.1 tm? -108.74 102.0 11.08 Favored 'General case' 0 C--N 1.32 -0.676 0 CA-C-N 115.611 -0.722 . . . . 0.0 109.259 -177.967 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 54' ' ' ASN . . . . . 0.534 ' HA ' ' O ' ' A' ' 16' ' ' PHE . 50.3 t-20 -151.8 99.33 2.57 Favored 'General case' 0 C--N 1.324 -0.53 0 N-CA-C 109.831 -0.433 . . . . 0.0 109.831 178.314 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . 178.16 165.68 33.33 Favored Glycine 0 N--CA 1.448 -0.564 0 C-N-CA 120.547 -0.835 . . . . 0.0 112.56 -179.889 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 56' ' ' SER . . . . . 0.525 ' HA ' ' O ' ' A' ' 14' ' ' LYS . 51.0 m -99.26 105.11 17.1 Favored 'General case' 0 C--N 1.326 -0.44 0 N-CA-C 109.459 -0.571 . . . . 0.0 109.459 175.203 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 57' ' ' MET . . . . . . . . . . . . . 14.6 ptt? -157.24 -178.37 7.3 Favored 'General case' 0 C--N 1.324 -0.519 0 CA-C-N 116.053 -0.521 . . . . 0.0 111.188 -173.986 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 25.4 m -92.81 174.46 7.24 Favored 'General case' 0 C--N 1.325 -0.46 0 CA-C-N 116.031 -0.531 . . . . 0.0 111.447 -176.317 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 59' ' ' VAL . . . . . . . . . . . . . 31.0 t -58.86 -48.86 84.99 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.536 -0.302 . . . . 0.0 111.065 -178.73 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 25.6 mp0 -52.17 -51.85 55.54 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-N 116.066 -0.515 . . . . 0.0 110.528 179.132 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 61' ' ' GLN . . . . . . . . . . . . . 46.7 mt-30 -64.72 -46.65 81.4 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 115.742 -0.663 . . . . 0.0 111.13 -179.101 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . -58.86 -44.82 95.75 Favored Glycine 0 N--CA 1.449 -0.497 0 CA-C-N 115.87 -0.604 . . . . 0.0 112.459 -178.947 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 63' ' ' LEU . . . . . 0.529 ' O ' HG13 ' A' ' 67' ' ' ILE . 4.0 mm? -69.56 -41.95 75.19 Favored 'General case' 0 C--N 1.323 -0.548 0 C-N-CA 121.375 -0.13 . . . . 0.0 110.99 179.118 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 64' ' ' ARG . . . . . . . . . . . . . 72.3 mtp180 -53.79 -32.65 53.3 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-O 120.707 0.289 . . . . 0.0 111.108 176.605 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 65' ' ' ARG . . . . . . . . . . . . . 20.5 ttm180 -81.39 -46.07 15.18 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.484 -0.325 . . . . 0.0 110.9 176.511 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 7.3 mt -59.91 -41.28 91.33 Favored 'General case' 0 N--CA 1.472 0.64 0 CA-C-O 121.332 0.587 . . . . 0.0 111.908 -179.736 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 67' ' ' ILE . . . . . 0.529 HG13 ' O ' ' A' ' 63' ' ' LEU . 8.7 mt -90.25 18.46 0.75 Allowed 'Isoleucine or valine' 0 C--N 1.319 -0.735 0 CA-C-N 115.422 -0.808 . . . . 0.0 110.24 -179.467 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . -33.26 26.31 0.0 OUTLIER Glycine 0 N--CA 1.485 1.96 0 C-N-CA 128.236 2.827 . . . . 0.0 120.145 177.866 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 69' ' ' GLY . . . . . 0.419 ' N ' ' O ' ' A' ' 67' ' ' ILE . . . 116.04 30.03 2.22 Favored Glycine 0 C--N 1.314 -0.654 0 CA-C-N 119.188 1.494 . . . . 0.0 112.318 -173.313 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 70' ' ' ASN . . . . . . . . . . . . . 43.2 m-80 -102.16 118.23 59.55 Favored Pre-proline 0 C--N 1.322 -0.595 0 N-CA-C 107.014 -1.476 . . . . 0.0 107.014 159.328 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 71' ' ' PRO . . . . . . . . . . . . . 19.6 Cg_exo -67.12 94.18 0.35 Allowed 'Trans proline' 0 C--O 1.235 0.361 0 C-N-CA 121.358 1.372 . . . . 0.0 112.182 -175.741 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 72' ' ' VAL . . . . . . . . . . . . . 14.1 p -156.72 146.61 11.47 Favored 'Isoleucine or valine' 0 N--CA 1.449 -0.522 0 CA-C-N 115.709 -0.678 . . . . 0.0 110.145 176.501 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -100.63 132.85 45.81 Favored 'General case' 0 C--N 1.324 -0.541 0 N-CA-C 110.044 -0.354 . . . . 0.0 110.044 177.463 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 74' ' ' PHE . . . . . . . . . . . . . 3.3 p90 -115.18 128.62 56.3 Favored 'General case' 0 C--N 1.332 -0.165 0 CA-C-O 121.336 0.589 . . . . 0.0 111.164 -176.767 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 75' ' ' ARG . . . . . 0.508 ' HG2' ' O ' ' A' ' 83' ' ' VAL . 14.7 ptm180 -118.03 127.81 54.17 Favored 'General case' 0 C--N 1.318 -0.771 0 N-CA-C 109.525 -0.546 . . . . 0.0 109.525 177.59 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 76' ' ' LEU . . . . . . . . . . . . . 76.4 mt -91.33 99.59 12.54 Favored 'General case' 0 C--N 1.319 -0.739 0 CA-C-O 121.221 0.534 . . . . 0.0 110.056 -177.558 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 77' ' ' GLN . . . . . 0.457 ' HA ' ' HD3' ' A' ' 78' ' ' PRO . 0.5 OUTLIER -88.79 131.62 40.97 Favored Pre-proline 0 N--CA 1.441 -0.903 0 CA-C-N 115.536 -0.756 . . . . 0.0 110.012 -176.039 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 78' ' ' PRO . . . . . 0.457 ' HD3' ' HA ' ' A' ' 77' ' ' GLN . 29.9 Cg_exo -63.28 3.18 0.64 Allowed 'Trans proline' 0 N--CA 1.48 0.707 0 C-N-CA 123.681 2.921 . . . . 0.0 114.526 -173.988 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 79' ' ' GLN . . . . . 0.431 ' HB2' HE21 ' A' ' 77' ' ' GLN . 77.5 mt-30 -93.36 23.2 4.64 Favored 'General case' 0 C--N 1.324 -0.534 0 CA-C-O 121.089 0.471 . . . . 0.0 110.452 177.388 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . 71.07 28.99 69.43 Favored Glycine 0 N--CA 1.447 -0.577 0 CA-C-N 115.728 -0.669 . . . . 0.0 112.759 178.474 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 81' ' ' GLN . . . . . . . . . . . . . 97.2 mt-30 -131.57 132.84 44.43 Favored 'General case' 0 C--N 1.324 -0.513 0 CA-C-O 120.947 0.403 . . . . 0.0 111.28 -177.675 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 82' ' ' ILE . . . . . . . . . . . . . 48.2 mt -98.95 100.8 11.16 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.55 0 N-CA-C 108.835 -0.802 . . . . 0.0 108.835 175.08 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 83' ' ' VAL . . . . . 0.508 ' O ' ' HG2' ' A' ' 75' ' ' ARG . 39.6 t -91.39 120.55 40.6 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.669 0 CA-C-N 116.438 -0.346 . . . . 0.0 110.256 -176.777 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 84' ' ' LEU . . . . . . . . . . . . . 6.3 mp -112.65 148.11 35.33 Favored 'General case' 0 C--N 1.322 -0.63 0 CA-C-O 120.857 0.361 . . . . 0.0 110.649 177.619 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 85' ' ' SER . . . . . . . . . . . . . 5.6 p -148.81 135.18 19.43 Favored 'General case' 0 C--N 1.32 -0.708 0 CA-C-N 115.76 -0.655 . . . . 0.0 110.325 179.921 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 86' ' ' ARG . . . . . . . . . . . . . 33.6 ttm180 -81.77 81.06 7.92 Favored 'General case' 0 C--N 1.324 -0.543 0 N-CA-C 108.885 -0.783 . . . . 0.0 108.885 176.239 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 87' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -59.23 133.55 87.92 Favored Pre-proline 0 C--N 1.322 -0.623 0 CA-C-N 114.352 -1.294 . . . . 0.0 110.653 -179.434 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 88' ' ' PRO . . . . . . . . . . . . . 19.5 Cg_endo -59.46 95.96 0.09 OUTLIER 'Trans proline' 0 C--N 1.346 0.416 0 C-N-CA 122.898 2.398 . . . . 0.0 111.985 179.897 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 89' ' ' THR . . . . . . . . . . . . . 24.4 m -85.46 93.84 8.85 Favored 'General case' 0 C--N 1.322 -0.62 0 CA-C-N 115.983 -0.553 . . . . 0.0 110.774 -177.74 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 90' ' ' ALA . . . . . . . . . . . . . . . -95.22 136.03 36.08 Favored 'General case' 0 C--N 1.32 -0.703 0 CA-C-N 115.981 -0.554 . . . . 0.0 110.464 178.497 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 91' ' ' ASN . . . . . . . . . . . . . 17.8 m120 -98.71 -10.84 22.61 Favored 'General case' 0 C--N 1.325 -0.496 0 CA-C-O 121.023 0.44 . . . . 0.0 110.809 179.307 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 92' ' ' GLY . . . . . . . . . . . . . . . -106.82 30.3 9.61 Favored Glycine 0 N--CA 1.449 -0.485 0 C-N-CA 120.767 -0.73 . . . . 0.0 111.92 179.323 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 17.4 t70 -108.39 -35.84 6.4 Favored 'General case' 0 C--N 1.323 -0.566 0 CA-C-O 121.132 0.491 . . . . 0.0 110.968 -178.201 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 94' ' ' GLY . . . . . . . . . . . . . . . 95.28 -21.09 46.18 Favored Glycine 0 N--CA 1.448 -0.551 0 C-N-CA 120.929 -0.653 . . . . 0.0 111.936 -178.221 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 95' ' ' GLY . . . . . . . . . . . . . . . 100.59 51.0 1.24 Allowed Glycine 0 N--CA 1.447 -0.619 0 C-N-CA 120.999 -0.619 . . . . 0.0 111.96 179.847 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 96' ' ' ALA . . . . . . . . . . . . . . . -74.12 179.02 4.65 Favored 'General case' 0 C--N 1.328 -0.34 0 C-N-CA 121.963 0.105 . . . . 0.0 110.731 -179.317 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 97' ' ' LEU . . . . . . . . . . . . . 46.5 tp -56.3 -39.19 72.32 Favored 'General case' 0 C--N 1.328 -0.349 0 N-CA-C 112.255 0.465 . . . . 0.0 112.255 -172.433 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 98' ' ' ALA . . . . . . . . . . . . . . . -58.59 -46.52 86.78 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-O 120.753 0.311 . . . . 0.0 111.308 -179.219 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 99' ' ' LEU . . . . . . . . . . . . . 45.2 tp -77.97 -29.68 49.91 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-O 120.943 0.401 . . . . 0.0 110.338 178.669 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 100' ' ' ASP . . . . . . . . . . . . . 13.5 t70 -56.88 -45.21 82.69 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 115.861 -0.609 . . . . 0.0 110.765 178.282 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 17.8 m -70.59 -6.82 39.46 Favored 'General case' 0 C--N 1.325 -0.463 0 CA-C-N 115.93 -0.577 . . . . 0.0 111.475 -179.969 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 102' ' ' LEU . . . . . . . . . . . . . 94.1 mt -102.44 -26.12 13.38 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-O 121.017 0.437 . . . . 0.0 110.487 178.172 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 103' ' ' THR . . . . . . . . . . . . . 9.8 p -83.41 5.81 22.3 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 121.122 0.487 . . . . 0.0 111.073 178.218 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 104' ' ' VAL . . . . . . . . . . . . . 27.7 m -125.03 164.25 24.21 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.567 0 N-CA-C 109.33 -0.619 . . . . 0.0 109.33 175.292 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 105' ' ' LEU . . . . . . . . . . . . . 97.7 mt 69.83 -64.24 0.36 Allowed 'General case' 0 N--CA 1.468 0.429 0 C-N-CA 123.097 0.559 . . . . 0.0 111.548 -179.878 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 106' ' ' GLY . . . . . . . . . . . . . . . -90.02 -20.25 43.58 Favored Glycine 0 N--CA 1.449 -0.461 0 C-N-CA 121.06 -0.591 . . . . 0.0 112.469 -178.604 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 107' ' ' ALA . . . . . . . . . . . . . . . -100.81 162.63 12.78 Favored 'General case' 0 C--N 1.323 -0.56 0 CA-C-O 120.844 0.354 . . . . 0.0 110.94 178.821 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 108' ' ' GLY . . . . . . . . . . . . . . . 130.69 24.41 0.91 Allowed Glycine 0 N--CA 1.449 -0.439 0 C-N-CA 120.881 -0.676 . . . . 0.0 112.232 -178.911 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 109' ' ' GLY . . . . . . . . . . . . . . . -146.39 177.32 24.8 Favored Glycine 0 N--CA 1.448 -0.517 0 C-N-CA 120.635 -0.793 . . . . 0.0 112.131 -178.558 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 110' ' ' ASN . . . . . . . . . . . . . 15.8 m120 -76.38 57.83 1.23 Allowed 'General case' 0 C--N 1.33 -0.274 0 CA-C-O 121.093 0.473 . . . . 0.0 110.077 178.892 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 111' ' ' ASN . . . . . 0.412 ' HB2' ' CG2' ' A' ' 67' ' ' ILE . 4.9 p-10 -173.78 -32.98 0.01 OUTLIER 'General case' 0 C--N 1.322 -0.607 0 CA-C-N 115.407 -0.815 . . . . 0.0 109.604 -173.889 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 112' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.247 0.927 0 CA-C-N 115.169 -0.923 . . . . 0.0 109.482 180.0 . . . . . . . . 0 0 . 1 . 016 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 25.6 m . . . . . 0 N--CA 1.474 0.774 0 N-CA-C 110.169 -0.308 . . . . 0.0 110.169 . . . . . . . . . 0 0 . 1 . 016 nuclear orig full ' A' A ' 7' ' ' MET . . . . . . . . . . . . . 14.5 tpt 55.98 65.44 1.45 Allowed 'General case' 0 C--O 1.234 0.243 0 CA-C-O 121.273 0.559 . . . . 0.0 110.295 -179.126 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -68.51 -11.27 59.63 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 115.783 -0.644 . . . . 0.0 111.757 -175.027 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 9' ' ' GLN . . . . . . . . . . . . . 14.1 mm100 -80.1 -12.69 59.65 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.53 -0.304 . . . . 0.0 110.945 176.84 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -116.83 -44.06 2.85 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-N 116.274 -0.421 . . . . 0.0 110.718 179.046 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -73.71 136.4 43.73 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 116.032 -0.531 . . . . 0.0 110.789 -179.923 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 11.1 pt20 -80.57 151.56 29.05 Favored 'General case' 0 C--N 1.325 -0.463 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.257 -179.241 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 11.2 pt20 -109.85 135.42 50.76 Favored 'General case' 0 C--N 1.321 -0.651 0 CA-C-N 116.437 -0.347 . . . . 0.0 110.211 177.638 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 40.7 mmtm -135.29 144.47 46.79 Favored 'General case' 0 C--N 1.323 -0.581 0 CA-C-N 116.113 -0.494 . . . . 0.0 109.737 176.601 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 15' ' ' ASN . . . . . 0.5 ' HA ' ' HA ' ' A' ' 56' ' ' SER . 6.6 t30 -84.17 99.49 10.55 Favored 'General case' 0 C--N 1.323 -0.557 0 N-CA-C 109.665 -0.495 . . . . 0.0 109.665 178.766 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 16' ' ' PHE . . . . . . . . . . . . . 59.5 m-85 -99.3 143.49 29.5 Favored 'General case' 0 C--N 1.319 -0.718 0 CA-C-N 115.916 -0.583 . . . . 0.0 110.525 -177.44 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 5.1 p-10 -144.17 95.46 2.72 Favored 'General case' 0 C--N 1.318 -0.793 0 CA-C-O 121.684 0.754 . . . . 0.0 109.647 179.527 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 18' ' ' ILE . . . . . 0.416 HG12 HD11 ' A' ' 53' ' ' LEU . 21.0 mm -116.07 119.92 63.31 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.657 0 CA-C-N 115.576 -0.738 . . . . 0.0 109.953 -175.654 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -74.18 154.67 38.97 Favored 'General case' 0 C--N 1.323 -0.551 0 N-CA-C 109.292 -0.632 . . . . 0.0 109.292 173.65 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -66.88 103.15 1.07 Allowed 'General case' 0 C--N 1.328 -0.356 0 CA-C-O 121.33 0.586 . . . . 0.0 110.815 -176.278 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 21' ' ' GLN . . . . . 0.461 HE22 ' HG3' ' A' ' 29' ' ' ARG . 74.6 mt-30 -106.12 172.38 3.99 Favored Pre-proline 0 C--N 1.324 -0.538 0 CA-C-N 114.99 -1.004 . . . . 0.0 110.242 173.714 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 22' ' ' PRO . . . . . . . . . . . . . 52.5 Cg_exo -57.24 140.98 94.45 Favored 'Trans proline' 0 N--CA 1.462 -0.334 0 C-N-CA 121.788 1.659 . . . . 0.0 109.816 163.083 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 23' ' ' LEU . . . . . 0.415 ' CB ' ' HB3' ' A' ' 48' ' ' MET . 32.3 tp -51.71 -45.5 63.59 Favored 'General case' 0 N--CA 1.468 0.473 0 N-CA-C 113.459 0.911 . . . . 0.0 113.459 -167.138 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 78.5 mt-30 -68.82 -44.46 73.46 Favored 'General case' 0 C--N 1.326 -0.419 0 C-N-CA 120.867 -0.333 . . . . 0.0 111.044 -177.274 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 31.8 t -65.48 -35.77 81.89 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-O 121.132 0.491 . . . . 0.0 109.951 177.594 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -55.3 -57.6 11.17 Favored 'General case' 0 CA--C 1.516 -0.331 0 CA-C-N 115.356 -0.838 . . . . 0.0 111.345 178.829 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 27' ' ' MET . . . . . 0.497 ' HE1' ' HB3' ' A' ' 66' ' ' LEU . 16.7 mmt -76.94 -14.33 59.87 Favored 'General case' 0 C--N 1.321 -0.656 0 CA-C-N 115.469 -0.787 . . . . 0.0 111.014 -174.349 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 59.7 tp -65.69 -32.69 74.38 Favored 'General case' 0 C--N 1.322 -0.626 0 N-CA-C 109.106 -0.702 . . . . 0.0 109.106 170.889 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 29' ' ' ARG . . . . . 0.461 ' HG3' HE22 ' A' ' 21' ' ' GLN . 31.1 mmt180 -86.52 -41.83 14.03 Favored 'General case' 0 C--N 1.323 -0.571 0 CA-C-N 116.262 -0.427 . . . . 0.0 110.718 179.883 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 36.3 t80 -71.46 -56.46 5.9 Favored 'General case' 0 C--N 1.325 -0.479 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.576 179.735 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -71.36 -30.73 66.5 Favored 'General case' 0 C--N 1.323 -0.555 0 CA-C-N 116.13 -0.486 . . . . 0.0 112.281 -169.679 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 40.9 mm-40 -62.72 -26.92 68.92 Favored 'General case' 0 N--CA 1.464 0.261 0 C-N-CA 120.393 -0.523 . . . . 0.0 110.897 177.609 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 33' ' ' GLN . . . . . 0.407 ' OE1' ' HA ' ' A' ' 33' ' ' GLN . 16.3 mm-40 -85.59 -16.44 39.32 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-O 120.997 0.427 . . . . 0.0 110.497 177.369 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -95.71 -16.87 21.69 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-N 116.079 -0.51 . . . . 0.0 111.198 178.944 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 99.03 20.7 17.61 Favored Glycine 0 CA--C 1.52 0.384 0 C-N-CA 121.081 -0.58 . . . . 0.0 112.867 178.996 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 36' ' ' MET . . . . . 0.434 ' HG2' ' HA2' ' A' ' 80' ' ' GLY . 68.0 mtm -138.97 176.57 8.58 Favored 'General case' 0 C--N 1.325 -0.465 0 N-CA-C 110.308 -0.256 . . . . 0.0 110.308 -177.276 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 37' ' ' GLN . . . . . . . . . . . . . 32.7 tt0 -154.68 145.75 22.72 Favored 'General case' 0 C--N 1.328 -0.353 0 N-CA-C 109.976 -0.379 . . . . 0.0 109.976 173.594 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 5.9 m -79.75 138.93 19.05 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-O 121.006 0.432 . . . . 0.0 111.592 -179.231 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 39' ' ' PHE . . . . . . . . . . . . . 91.5 t80 -121.37 136.19 54.99 Favored 'General case' 0 C--N 1.324 -0.521 0 CA-C-N 115.814 -0.63 . . . . 0.0 110.787 -179.72 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 40' ' ' PHE . . . . . . . . . . . . . 70.3 m-85 -131.08 154.55 48.15 Favored 'General case' 0 C--N 1.321 -0.635 0 CA-C-N 115.57 -0.741 . . . . 0.0 109.07 176.347 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 17.1 m-20 -78.92 -174.37 3.98 Favored 'General case' 0 C--N 1.325 -0.464 0 CA-C-N 116.659 -0.246 . . . . 0.0 110.542 177.807 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 39.5 mt-10 -76.3 89.42 3.15 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-O 121.05 0.452 . . . . 0.0 110.216 179.184 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 43' ' ' VAL . . . . . . . . . . . . . 7.2 p -159.14 134.84 1.75 Allowed 'Isoleucine or valine' 0 C--N 1.32 -0.701 0 CA-C-N 115.712 -0.676 . . . . 0.0 109.898 178.72 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 40.7 ttmt -98.84 123.17 42.92 Favored 'General case' 0 C--N 1.319 -0.752 0 CA-C-N 116.286 -0.416 . . . . 0.0 110.082 178.079 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 1.3 pt? -133.81 112.92 11.73 Favored 'General case' 0 C--N 1.32 -0.694 0 CA-C-N 116.024 -0.535 . . . . 0.0 110.106 178.609 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 6.2 p-10 -83.55 151.31 25.44 Favored 'General case' 0 C--N 1.323 -0.552 0 CA-C-N 115.942 -0.572 . . . . 0.0 110.228 178.853 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 102.75 6.64 46.21 Favored Glycine 0 N--CA 1.448 -0.529 0 C-N-CA 120.674 -0.774 . . . . 0.0 112.266 -179.588 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 48' ' ' MET . . . . . 0.415 ' HB3' ' CB ' ' A' ' 23' ' ' LEU . 71.1 mtm -67.3 119.44 12.17 Favored 'General case' 0 C--N 1.329 -0.319 0 N-CA-C 109.91 -0.404 . . . . 0.0 109.91 178.029 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 7.5 pt20 -146.63 136.11 22.93 Favored 'General case' 0 C--N 1.323 -0.554 0 CA-C-O 121.109 0.481 . . . . 0.0 111.227 -175.381 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -91.18 145.49 24.63 Favored 'General case' 0 C--N 1.321 -0.636 0 CA-C-N 115.756 -0.657 . . . . 0.0 109.895 176.555 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -84.3 162.78 19.97 Favored 'General case' 0 C--N 1.321 -0.672 0 CA-C-N 116.449 -0.342 . . . . 0.0 110.908 179.908 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -64.8 97.1 0.2 Allowed 'General case' 0 C--O 1.235 0.307 0 CA-C-N 115.785 -0.643 . . . . 0.0 111.339 -179.179 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 53' ' ' LEU . . . . . 0.423 HD13 ' C ' ' A' ' 53' ' ' LEU . 3.4 tm? -103.77 120.18 40.44 Favored 'General case' 0 C--N 1.322 -0.614 0 CA-C-N 115.709 -0.678 . . . . 0.0 109.657 -179.414 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 54' ' ' ASN . . . . . . . . . . . . . 7.3 t30 -159.51 98.85 1.42 Allowed 'General case' 0 C--N 1.326 -0.446 0 CA-C-N 116.357 -0.383 . . . . 0.0 110.136 177.821 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . 178.46 166.66 35.05 Favored Glycine 0 N--CA 1.448 -0.561 0 C-N-CA 120.703 -0.761 . . . . 0.0 112.155 -179.964 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 56' ' ' SER . . . . . 0.5 ' HA ' ' HA ' ' A' ' 15' ' ' ASN . 22.8 t -94.81 107.04 19.05 Favored 'General case' 0 C--N 1.324 -0.513 0 N-CA-C 109.713 -0.477 . . . . 0.0 109.713 176.957 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 57' ' ' MET . . . . . . . . . . . . . 21.3 ptp -157.63 176.75 12.22 Favored 'General case' 0 C--N 1.326 -0.452 0 CA-C-N 115.919 -0.582 . . . . 0.0 110.637 -175.676 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 9.5 m -84.55 176.24 8.75 Favored 'General case' 0 C--N 1.324 -0.523 0 CA-C-N 116.411 -0.359 . . . . 0.0 110.907 -179.792 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 59' ' ' VAL . . . . . . . . . . . . . 47.7 t -58.72 -38.67 73.29 Favored 'Isoleucine or valine' 0 CA--C 1.516 -0.357 0 N-CA-C 110.156 -0.312 . . . . 0.0 110.156 178.607 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 60' ' ' GLU . . . . . 0.621 ' O ' ' HG3' ' A' ' 64' ' ' ARG . 43.2 mt-10 -52.35 -70.64 0.08 Allowed 'General case' 0 C--O 1.223 -0.3 0 O-C-N 123.489 0.493 . . . . 0.0 111.069 -179.959 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 61' ' ' GLN . . . . . . . . . . . . . 84.4 mm-40 -59.66 -40.88 89.2 Favored 'General case' 0 C--N 1.327 -0.398 0 N-CA-C 111.84 0.311 . . . . 0.0 111.84 -175.325 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . -60.86 -50.57 66.11 Favored Glycine 0 N--CA 1.45 -0.4 0 C-N-CA 120.652 -0.785 . . . . 0.0 112.183 -179.847 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 63' ' ' LEU . . . . . 0.418 HD12 HD12 ' A' ' 67' ' ' ILE . 1.8 tm? -67.35 -39.37 85.73 Favored 'General case' 0 C--N 1.324 -0.524 0 CA-C-O 120.931 0.396 . . . . 0.0 110.172 -178.349 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 64' ' ' ARG . . . . . 0.651 ' HD3' ' OXT' ' A' ' 112' ' ' ALA . 67.7 mtt180 -60.05 -43.7 95.21 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.004 -0.544 . . . . 0.0 111.194 -178.667 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 65' ' ' ARG . . . . . . . . . . . . . 22.5 mtp180 -75.32 -28.26 59.58 Favored 'General case' 0 C--N 1.324 -0.536 0 CA-C-O 121.185 0.517 . . . . 0.0 110.616 178.076 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 66' ' ' LEU . . . . . 0.497 ' HB3' ' HE1' ' A' ' 27' ' ' MET . 3.5 mt -70.84 -50.86 30.81 Favored 'General case' 0 C--N 1.321 -0.659 0 CA-C-N 115.373 -0.831 . . . . 0.0 112.917 -175.066 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 67' ' ' ILE . . . . . 0.418 HD12 HD12 ' A' ' 63' ' ' LEU . 13.8 mt -83.2 -61.53 1.73 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 N-CA-C 113.523 0.934 . . . . 0.0 113.523 -169.5 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 68' ' ' GLY . . . . . 0.487 ' C ' ' H ' ' A' ' 70' ' ' ASN . . . -111.65 -61.53 0.47 Allowed Glycine 0 N--CA 1.447 -0.574 0 C-N-CA 119.067 -1.54 . . . . 0.0 114.904 -166.752 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 69' ' ' GLY . . . . . 0.467 ' HA2' ' H ' ' A' ' 110' ' ' ASN . . . 79.66 -22.36 4.08 Favored Glycine 0 CA--C 1.52 0.385 0 N-CA-C 110.572 -1.011 . . . . 0.0 110.572 -167.182 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 70' ' ' ASN . . . . . 0.487 ' H ' ' C ' ' A' ' 68' ' ' GLY . 17.3 m120 -103.63 151.23 38.71 Favored Pre-proline 0 C--N 1.325 -0.489 0 N-CA-C 108.712 -0.847 . . . . 0.0 108.712 168.736 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 71' ' ' PRO . . . . . 0.414 ' HB2' ' HA ' ' A' ' 88' ' ' PRO . 18.0 Cg_endo -59.08 103.24 0.17 Allowed 'Trans proline' 0 CA--C 1.535 0.539 0 C-N-CA 123.178 2.586 . . . . 0.0 113.813 -176.211 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 72' ' ' VAL . . . . . . . . . . . . . 12.6 p -150.26 138.88 14.87 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.399 0 CA-C-N 115.211 -0.904 . . . . 0.0 108.936 175.557 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -90.68 143.12 27.06 Favored 'General case' 0 C--N 1.32 -0.693 0 CA-C-O 121.017 0.436 . . . . 0.0 111.874 -167.524 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 74' ' ' PHE . . . . . . . . . . . . . 4.9 p90 -123.85 125.61 44.97 Favored 'General case' 0 C--N 1.322 -0.62 0 CA-C-N 116.103 -0.499 . . . . 0.0 110.173 176.497 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 75' ' ' ARG . . . . . . . . . . . . . 17.2 tpp180 -99.12 113.89 26.34 Favored 'General case' 0 C--N 1.321 -0.647 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.584 -177.868 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 76' ' ' LEU . . . . . . . . . . . . . 72.2 mt -90.79 99.36 12.41 Favored 'General case' 0 C--N 1.325 -0.495 0 CA-C-N 115.966 -0.561 . . . . 0.0 109.5 177.704 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 77' ' ' GLN . . . . . . . . . . . . . 43.7 mt-30 -86.36 130.73 48.46 Favored Pre-proline 0 C--N 1.321 -0.641 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.877 -176.668 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 78' ' ' PRO . . . . . . . . . . . . . 51.5 Cg_exo -56.25 -15.58 15.02 Favored 'Trans proline' 0 N--CA 1.477 0.525 0 C-N-CA 123.792 2.995 . . . . 0.0 113.969 -178.892 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 79' ' ' GLN . . . . . . . . . . . . . 28.4 mt-30 -81.01 -0.98 42.03 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 120.802 0.334 . . . . 0.0 111.021 176.853 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 80' ' ' GLY . . . . . 0.434 ' HA2' ' HG2' ' A' ' 36' ' ' MET . . . 95.46 36.12 5.48 Favored Glycine 0 N--CA 1.447 -0.628 0 C-N-CA 120.739 -0.743 . . . . 0.0 112.765 176.964 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 81' ' ' GLN . . . . . . . . . . . . . 84.8 mm-40 -127.38 137.29 52.73 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-N 116.9 0.35 . . . . 0.0 111.203 -177.598 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 82' ' ' ILE . . . . . . . . . . . . . 56.9 mt -114.39 102.84 14.43 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 N-CA-C 109.282 -0.636 . . . . 0.0 109.282 174.852 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 83' ' ' VAL . . . . . . . . . . . . . 57.4 t -106.72 128.19 61.62 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.685 0 CA-C-N 116.294 -0.412 . . . . 0.0 110.265 -179.138 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 84' ' ' LEU . . . . . . . . . . . . . 17.2 tp -83.99 141.2 31.38 Favored 'General case' 0 C--N 1.325 -0.492 0 N-CA-C 109.734 -0.469 . . . . 0.0 109.734 179.645 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 85' ' ' SER . . . . . . . . . . . . . 24.0 m -136.12 143.3 44.47 Favored 'General case' 0 C--N 1.321 -0.672 0 N-CA-C 109.812 -0.44 . . . . 0.0 109.812 179.955 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 86' ' ' ARG . . . . . . . . . . . . . 33.7 mmt180 -85.4 64.65 8.77 Favored 'General case' 0 C--N 1.322 -0.629 0 CA-C-O 121.029 0.443 . . . . 0.0 111.782 -172.649 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 87' ' ' LEU . . . . . . . . . . . . . 2.8 mm? -118.09 121.08 31.77 Favored Pre-proline 0 C--N 1.327 -0.408 0 CA-C-N 115.863 -0.608 . . . . 0.0 109.639 174.659 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 88' ' ' PRO . . . . . 0.414 ' HA ' ' HB2' ' A' ' 71' ' ' PRO . 9.5 Cg_exo -71.24 106.45 1.92 Allowed 'Trans proline' 0 N--CA 1.462 -0.374 0 C-N-CA 122.523 2.149 . . . . 0.0 111.847 177.847 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 89' ' ' THR . . . . . . . . . . . . . 22.3 m -107.35 122.48 46.66 Favored 'General case' 0 C--N 1.324 -0.5 0 CA-C-N 116.579 -0.282 . . . . 0.0 110.853 -179.571 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 90' ' ' ALA . . . . . . . . . . . . . . . -102.67 108.93 20.37 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.277 -0.42 . . . . 0.0 110.907 173.74 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 91' ' ' ASN . . . . . . . . . . . . . 6.8 p30 -83.17 -13.92 54.51 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.865 0.364 . . . . 0.0 110.967 178.441 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 92' ' ' GLY . . . . . . . . . . . . . . . -68.64 -7.68 54.72 Favored Glycine 0 C--N 1.328 0.12 0 CA-C-N 116.196 -0.456 . . . . 0.0 113.321 -174.958 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 2.5 m-20 -89.38 -1.89 58.22 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-O 120.856 0.36 . . . . 0.0 110.994 177.933 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 94' ' ' GLY . . . . . . . . . . . . . . . 67.91 26.26 73.99 Favored Glycine 0 N--CA 1.452 -0.255 0 CA-C-N 115.827 -0.624 . . . . 0.0 113.132 175.122 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 95' ' ' GLY . . . . . . . . . . . . . . . 104.94 65.55 0.67 Allowed Glycine 0 N--CA 1.444 -0.79 0 C-N-CA 120.696 -0.764 . . . . 0.0 111.847 -178.652 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 96' ' ' ALA . . . . . . . . . . . . . . . -82.29 105.99 13.82 Favored 'General case' 0 C--N 1.323 -0.569 0 CA-C-O 120.929 0.395 . . . . 0.0 110.434 178.918 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 97' ' ' LEU . . . . . . . . . . . . . 1.3 pp -83.81 -173.42 4.71 Favored 'General case' 0 C--N 1.322 -0.595 0 CA-C-N 116.025 -0.534 . . . . 0.0 111.484 -176.625 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 98' ' ' ALA . . . . . . . . . . . . . . . 64.41 33.23 11.39 Favored 'General case' 0 C--O 1.233 0.225 0 O-C-N 123.657 0.598 . . . . 0.0 110.234 -175.458 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 99' ' ' LEU . . . . . . . . . . . . . 25.3 tp 64.59 21.31 12.4 Favored 'General case' 0 CA--C 1.533 0.304 0 CA-C-N 115.157 -0.929 . . . . 0.0 110.791 178.868 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 100' ' ' ASP . . . . . 0.43 ' O ' HG23 ' A' ' 104' ' ' VAL . 24.6 t70 -77.57 -47.47 19.36 Favored 'General case' 0 C--N 1.327 -0.409 0 C-N-CA 120.942 -0.303 . . . . 0.0 111.221 -173.168 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 6.6 p -62.17 -26.44 68.33 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.436 -0.347 . . . . 0.0 111.717 -177.568 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 102' ' ' LEU . . . . . . . . . . . . . 15.1 tp -89.1 7.2 36.28 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 121.244 0.545 . . . . 0.0 110.767 -178.988 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 103' ' ' THR . . . . . . . . . . . . . 22.2 m -119.29 -9.18 9.97 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-O 121.257 0.551 . . . . 0.0 110.715 178.93 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 104' ' ' VAL . . . . . 0.43 HG23 ' O ' ' A' ' 100' ' ' ASP . 51.9 t -102.47 135.14 41.02 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 CA-C-N 116.359 -0.382 . . . . 0.0 110.697 -177.206 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 105' ' ' LEU . . . . . . . . . . . . . 7.1 mp -87.52 82.71 7.4 Favored 'General case' 0 C--N 1.325 -0.459 0 CA-C-N 116.266 -0.424 . . . . 0.0 110.489 -179.08 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 106' ' ' GLY . . . . . . . . . . . . . . . -80.89 97.55 1.76 Allowed Glycine 0 N--CA 1.45 -0.407 0 C-N-CA 120.843 -0.694 . . . . 0.0 111.918 178.852 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 107' ' ' ALA . . . . . . . . . . . . . . . -100.29 166.32 11.03 Favored 'General case' 0 C--N 1.325 -0.486 0 CA-C-O 121.121 0.486 . . . . 0.0 111.431 -177.074 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 108' ' ' GLY . . . . . . . . . . . . . . . 139.69 -124.87 2.83 Favored Glycine 0 N--CA 1.446 -0.633 0 N-CA-C 110.149 -1.18 . . . . 0.0 110.149 -178.07 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 109' ' ' GLY . . . . . 0.439 ' O ' ' HB3' ' A' ' 110' ' ' ASN . . . -108.49 93.08 0.77 Allowed Glycine 0 N--CA 1.443 -0.866 0 C-N-CA 119.441 -1.361 . . . . 0.0 110.219 168.976 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 110' ' ' ASN . . . . . 0.467 ' H ' ' HA2' ' A' ' 69' ' ' GLY . 4.8 p-10 161.23 137.44 0.01 OUTLIER 'General case' 0 N--CA 1.466 0.371 0 C-N-CA 123.758 0.823 . . . . 0.0 109.056 -173.656 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 111' ' ' ASN . . . . . 0.573 ' OD1' ' HA ' ' A' ' 64' ' ' ARG . 25.7 p-10 -88.96 -13.47 38.88 Favored 'General case' 0 C--N 1.321 -0.67 0 N-CA-C 108.242 -1.022 . . . . 0.0 108.242 171.653 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 112' ' ' ALA . . . . . 0.651 ' OXT' ' HD3' ' A' ' 64' ' ' ARG . . . . . . . . 0 C--O 1.245 0.823 0 CA-C-N 115.128 -0.942 . . . . 0.0 109.055 177.833 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 37.1 m . . . . . 0 N--CA 1.481 1.087 0 CA-C-O 120.915 0.388 . . . . 0.0 111.345 . . . . . . . . . 0 0 . 1 . 017 nuclear orig full ' A' A ' 7' ' ' MET . . . . . . . . . . . . . 50.8 mtt -134.47 119.92 19.11 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-O 120.741 0.305 . . . . 0.0 111.058 178.831 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -79.22 -8.71 59.23 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-O 121.209 0.528 . . . . 0.0 110.702 178.81 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 9' ' ' GLN . . . . . . . . . . . . . 25.5 mt-30 -82.13 -33.86 29.45 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-N 115.839 -0.619 . . . . 0.0 110.01 174.256 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -87.39 -50.15 6.75 Favored 'General case' 0 C--N 1.325 -0.49 0 CA-C-N 115.662 -0.699 . . . . 0.0 110.673 -179.631 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -80.4 150.57 29.76 Favored 'General case' 0 C--N 1.324 -0.531 0 CA-C-N 116.177 -0.465 . . . . 0.0 109.987 178.612 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 35.0 tt0 -75.09 109.49 8.61 Favored 'General case' 0 C--N 1.322 -0.605 0 N-CA-C 109.747 -0.464 . . . . 0.0 109.747 179.852 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 13' ' ' GLN . . . . . 0.503 ' H ' ' NE2' ' A' ' 13' ' ' GLN . 0.0 OUTLIER -64.76 135.77 56.19 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-O 121.106 0.479 . . . . 0.0 110.24 -179.312 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 14' ' ' LYS . . . . . 0.538 ' O ' ' HA ' ' A' ' 56' ' ' SER . 73.9 mmtt -108.36 142.81 38.13 Favored 'General case' 0 C--N 1.319 -0.725 0 CA-C-N 115.769 -0.65 . . . . 0.0 109.884 -175.008 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 15' ' ' ASN . . . . . . . . . . . . . 18.4 m120 -80.65 104.13 10.97 Favored 'General case' 0 C--N 1.322 -0.618 0 CA-C-O 120.963 0.411 . . . . 0.0 110.41 178.975 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 16' ' ' PHE . . . . . 0.412 ' O ' ' HA ' ' A' ' 54' ' ' ASN . 86.1 m-85 -99.3 109.83 22.42 Favored 'General case' 0 C--N 1.319 -0.745 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.38 -179.389 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 82.4 m-20 -118.32 88.62 2.96 Favored 'General case' 0 C--N 1.322 -0.608 0 N-CA-C 109.217 -0.66 . . . . 0.0 109.217 176.006 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 18' ' ' ILE . . . . . . . . . . . . . 14.4 mt -127.0 119.26 52.58 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.578 0 CA-C-O 120.747 0.308 . . . . 0.0 110.782 -175.471 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -77.91 160.28 28.34 Favored 'General case' 0 C--N 1.325 -0.499 0 N-CA-C 109.109 -0.7 . . . . 0.0 109.109 173.799 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -70.21 102.74 2.17 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 121.39 0.614 . . . . 0.0 111.34 -174.186 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 21' ' ' GLN . . . . . . . . . . . . . 78.7 mt-30 -106.09 169.81 6.52 Favored Pre-proline 0 C--N 1.322 -0.619 0 CA-C-N 115.145 -0.934 . . . . 0.0 110.211 175.198 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 22' ' ' PRO . . . . . 0.436 ' HA ' ' O ' ' A' ' 48' ' ' MET . 52.8 Cg_exo -53.47 133.31 52.81 Favored 'Trans proline' 0 C--N 1.348 0.503 0 C-N-CA 121.952 1.768 . . . . 0.0 109.991 166.738 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 56.5 tp -51.3 -45.94 62.35 Favored 'General case' 0 N--CA 1.467 0.413 0 N-CA-C 112.981 0.734 . . . . 0.0 112.981 -167.238 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 11.1 mm100 -64.86 -32.9 74.82 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-O 120.856 0.36 . . . . 0.0 110.995 -176.709 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 18.7 m -86.9 -25.77 24.27 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.712 179.817 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -62.38 -45.72 91.9 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-O 121.405 0.621 . . . . 0.0 110.173 175.762 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 27' ' ' MET . . . . . 0.524 ' HG3' ' CG1' ' A' ' 38' ' ' VAL . 25.6 mmt -74.14 -19.12 60.67 Favored 'General case' 0 C--N 1.322 -0.594 0 CA-C-N 115.458 -0.792 . . . . 0.0 110.464 178.102 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 28' ' ' LEU . . . . . 0.584 ' O ' ' HB3' ' A' ' 32' ' ' GLU . 5.7 tt -65.63 -26.34 67.78 Favored 'General case' 0 C--N 1.321 -0.672 0 N-CA-C 108.718 -0.845 . . . . 0.0 108.718 174.1 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 29' ' ' ARG . . . . . 0.59 ' HA ' ' NH1' ' A' ' 29' ' ' ARG . 9.6 mmm180 -73.53 -55.37 6.41 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.36 -0.382 . . . . 0.0 111.09 179.722 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 7.9 t80 -79.94 -55.86 4.67 Favored 'General case' 0 C--N 1.325 -0.485 0 CA-C-O 121.243 0.544 . . . . 0.0 111.558 -178.231 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -69.21 -16.98 63.73 Favored 'General case' 0 C--N 1.319 -0.739 0 CA-C-N 116.007 -0.542 . . . . 0.0 112.334 -169.963 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 32' ' ' GLU . . . . . 0.584 ' HB3' ' O ' ' A' ' 28' ' ' LEU . 8.5 pt-20 -60.75 -33.13 72.47 Favored 'General case' 0 N--CA 1.471 0.588 0 C-N-CA 120.016 -0.673 . . . . 0.0 110.302 175.842 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 33' ' ' GLN . . . . . . . . . . . . . 85.7 mm-40 -77.84 -27.64 49.95 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-O 121.233 0.539 . . . . 0.0 109.929 -179.778 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -88.72 -7.19 56.74 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-N 115.612 -0.722 . . . . 0.0 111.337 179.346 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 77.39 29.77 55.31 Favored Glycine 0 C--N 1.33 0.23 0 C-N-CA 121.135 -0.555 . . . . 0.0 112.207 -179.663 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 36' ' ' MET . . . . . . . . . . . . . 64.8 mtp -134.61 173.31 11.81 Favored 'General case' 0 C--N 1.323 -0.577 0 CA-C-O 120.649 0.262 . . . . 0.0 110.903 -174.361 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 37' ' ' GLN . . . . . 0.468 ' O ' ' HA ' ' A' ' 81' ' ' GLN . 55.6 tt0 -161.8 160.27 28.05 Favored 'General case' 0 C--N 1.327 -0.401 0 N-CA-C 108.635 -0.876 . . . . 0.0 108.635 171.165 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 38' ' ' VAL . . . . . 0.524 ' CG1' ' HG3' ' A' ' 27' ' ' MET . 0.7 OUTLIER -76.63 134.64 28.42 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.398 0 CA-C-O 121.031 0.443 . . . . 0.0 110.532 -179.851 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 39' ' ' PHE . . . . . . . . . . . . . 77.7 t80 -115.74 119.54 36.39 Favored 'General case' 0 C--N 1.321 -0.65 0 CA-C-N 115.739 -0.664 . . . . 0.0 110.939 -175.88 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 40' ' ' PHE . . . . . . . . . . . . . 80.4 m-85 -129.13 170.37 13.61 Favored 'General case' 0 C--N 1.316 -0.853 0 N-CA-C 108.543 -0.91 . . . . 0.0 108.543 174.508 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 26.3 t70 -76.18 143.66 40.99 Favored 'General case' 0 C--N 1.321 -0.645 0 N-CA-C 109.341 -0.614 . . . . 0.0 109.341 177.923 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 46.5 mt-10 -62.53 95.79 0.07 Allowed 'General case' 0 C--N 1.328 -0.341 0 CA-C-O 121.295 0.569 . . . . 0.0 111.375 -177.201 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 43' ' ' VAL . . . . . . . . . . . . . 9.1 p -130.01 140.76 48.14 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.742 0 CA-C-N 115.194 -0.912 . . . . 0.0 109.589 177.633 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 24.0 ttmm -87.39 88.15 7.6 Favored 'General case' 0 C--N 1.322 -0.623 0 N-CA-C 109.213 -0.662 . . . . 0.0 109.213 177.243 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 69.1 tp -123.41 116.07 22.66 Favored 'General case' 0 C--N 1.319 -0.757 0 CA-C-N 115.384 -0.825 . . . . 0.0 110.033 -177.984 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 16.0 t70 -85.12 144.26 28.32 Favored 'General case' 0 C--N 1.319 -0.748 0 N-CA-C 109.331 -0.618 . . . . 0.0 109.331 177.264 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 114.19 8.1 17.82 Favored Glycine 0 N--CA 1.444 -0.769 0 C-N-CA 120.462 -0.875 . . . . 0.0 112.03 -179.25 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 48' ' ' MET . . . . . 0.436 ' O ' ' HA ' ' A' ' 22' ' ' PRO . 66.7 mtt -70.64 117.74 12.55 Favored 'General case' 0 N--CA 1.451 -0.384 0 N-CA-C 108.804 -0.813 . . . . 0.0 108.804 175.559 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 27.0 pt20 -153.19 140.01 19.06 Favored 'General case' 0 C--N 1.318 -0.774 0 CA-C-O 121.037 0.446 . . . . 0.0 110.993 -174.625 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -91.72 165.22 13.41 Favored 'General case' 0 C--N 1.317 -0.83 0 CA-C-N 115.385 -0.825 . . . . 0.0 109.451 174.77 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -93.49 154.42 17.91 Favored 'General case' 0 C--N 1.318 -0.778 0 CA-C-N 116.383 -0.372 . . . . 0.0 110.072 179.272 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -64.67 97.13 0.2 Allowed 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.55 179.097 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 57.4 tp -97.41 119.02 35.19 Favored 'General case' 0 C--N 1.322 -0.629 0 CA-C-N 115.6 -0.727 . . . . 0.0 110.701 -176.562 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 54' ' ' ASN . . . . . 0.412 ' HA ' ' O ' ' A' ' 16' ' ' PHE . 25.3 t-20 -146.89 98.25 3.02 Favored 'General case' 0 C--N 1.322 -0.621 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.106 177.564 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . 178.18 160.13 24.01 Favored Glycine 0 N--CA 1.448 -0.53 0 C-N-CA 120.714 -0.755 . . . . 0.0 112.255 179.416 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 56' ' ' SER . . . . . 0.538 ' HA ' ' O ' ' A' ' 14' ' ' LYS . 22.6 p -98.47 108.24 20.89 Favored 'General case' 0 C--N 1.323 -0.549 0 N-CA-C 109.934 -0.395 . . . . 0.0 109.934 174.946 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 57' ' ' MET . . . . . . . . . . . . . 20.9 ptp -148.55 -175.71 5.03 Favored 'General case' 0 C--N 1.323 -0.549 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.218 -175.405 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 12.9 m -88.67 177.35 6.78 Favored 'General case' 0 C--N 1.324 -0.538 0 N-CA-C 110.429 -0.212 . . . . 0.0 110.429 179.744 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 59' ' ' VAL . . . . . . . . . . . . . 40.6 t -62.16 -43.26 97.62 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 CA-C-O 120.711 0.291 . . . . 0.0 111.126 -176.755 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 60' ' ' GLU . . . . . 0.577 ' HA ' ' CZ ' ' A' ' 74' ' ' PHE . 26.2 mt-10 -56.88 -60.52 3.45 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 116.074 -0.512 . . . . 0.0 112.008 -179.049 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 61' ' ' GLN . . . . . 0.42 ' HA ' ' OE1' ' A' ' 61' ' ' GLN . 16.6 mm-40 -63.66 -32.52 74.02 Favored 'General case' 0 C--N 1.324 -0.523 0 CA-C-N 116.364 -0.38 . . . . 0.0 110.353 179.222 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 62' ' ' GLY . . . . . 0.546 ' O ' ' HB2' ' A' ' 66' ' ' LEU . . . -59.77 -58.41 14.36 Favored Glycine 0 N--CA 1.445 -0.704 0 CA-C-N 115.83 -0.623 . . . . 0.0 111.882 177.058 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 63' ' ' LEU . . . . . 0.496 ' O ' HG13 ' A' ' 67' ' ' ILE . 4.2 mm? -58.21 -43.96 87.9 Favored 'General case' 0 C--N 1.331 -0.204 0 CA-C-N 116.681 0.24 . . . . 0.0 111.049 179.659 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 64' ' ' ARG . . . . . . . . . . . . . 51.3 mtp180 -52.29 -54.42 31.72 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.354 -0.384 . . . . 0.0 110.968 178.048 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 65' ' ' ARG . . . . . 0.519 ' HA ' ' HA2' ' A' ' 69' ' ' GLY . 97.0 mtt180 -80.03 -17.81 51.8 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.403 -0.362 . . . . 0.0 111.724 -175.966 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 66' ' ' LEU . . . . . 0.546 ' HB2' ' O ' ' A' ' 62' ' ' GLY . 3.1 tt -73.99 -47.43 37.32 Favored 'General case' 0 C--N 1.323 -0.575 0 CA-C-O 121.124 0.488 . . . . 0.0 109.817 178.903 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 67' ' ' ILE . . . . . 0.496 HG13 ' O ' ' A' ' 63' ' ' LEU . 11.1 mt -83.81 -62.36 1.49 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 CA-C-N 116.08 -0.509 . . . . 0.0 111.317 -174.528 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . -113.8 -44.21 0.77 Allowed Glycine 0 CA--C 1.519 0.341 0 C-N-CA 120.621 -0.799 . . . . 0.0 114.13 -174.28 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 69' ' ' GLY . . . . . 0.519 ' HA2' ' HA ' ' A' ' 65' ' ' ARG . . . 103.79 -12.75 53.42 Favored Glycine 0 CA--C 1.513 -0.082 0 N-CA-C 110.452 -1.059 . . . . 0.0 110.452 -168.642 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 70' ' ' ASN . . . . . . . . . . . . . 21.0 p-10 -100.34 167.08 11.49 Favored Pre-proline 0 C--N 1.32 -0.708 0 CA-C-N 114.386 -0.907 . . . . 0.0 110.614 -177.404 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 71' ' ' PRO . . . . . . . . . . . . . 16.3 Cg_exo -69.01 124.89 11.86 Favored 'Trans proline' 0 C--N 1.346 0.408 0 C-N-CA 122.589 2.192 . . . . 0.0 110.802 170.814 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 72' ' ' VAL . . . . . 0.417 HG13 ' ND2' ' A' ' 111' ' ' ASN . 8.8 p -148.3 158.8 7.47 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.602 0 N-CA-C 109.623 -0.51 . . . . 0.0 109.623 -174.816 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 73' ' ' ALA . . . . . 0.502 ' HB1' ' O ' ' A' ' 85' ' ' SER . . . -104.99 119.0 37.94 Favored 'General case' 0 N--CA 1.442 -0.839 0 CA-C-N 116.405 -0.361 . . . . 0.0 110.957 -178.671 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 74' ' ' PHE . . . . . 0.577 ' CZ ' ' HA ' ' A' ' 60' ' ' GLU . 6.1 p90 -125.48 133.69 52.32 Favored 'General case' 0 C--N 1.32 -0.691 0 CA-C-O 120.966 0.412 . . . . 0.0 110.017 -179.343 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 75' ' ' ARG . . . . . . . . . . . . . 24.2 mmt180 -103.24 119.67 39.3 Favored 'General case' 0 C--N 1.317 -0.811 0 CA-C-N 116.075 -0.511 . . . . 0.0 110.434 177.005 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 76' ' ' LEU . . . . . . . . . . . . . 71.5 mt -86.77 98.5 11.2 Favored 'General case' 0 C--N 1.321 -0.657 0 N-CA-C 108.911 -0.774 . . . . 0.0 108.911 176.337 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 77' ' ' GLN . . . . . . . . . . . . . 18.7 mt-30 -87.65 130.16 48.13 Favored Pre-proline 0 C--N 1.32 -0.704 0 CA-C-N 115.948 -0.569 . . . . 0.0 110.903 -175.359 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 78' ' ' PRO . . . . . . . . . . . . . 50.5 Cg_exo -57.31 -17.21 25.46 Favored 'Trans proline' 0 C--N 1.347 0.494 0 C-N-CA 123.365 2.71 . . . . 0.0 112.523 176.161 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 79' ' ' GLN . . . . . . . . . . . . . 43.7 mt-30 -73.17 -3.32 25.85 Favored 'General case' 0 C--O 1.233 0.188 0 CA-C-N 116.097 -0.502 . . . . 0.0 111.178 175.404 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . 90.02 34.89 7.94 Favored Glycine 0 N--CA 1.445 -0.732 0 C-N-CA 120.968 -0.634 . . . . 0.0 112.376 179.224 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 81' ' ' GLN . . . . . 0.468 ' HA ' ' O ' ' A' ' 37' ' ' GLN . 18.0 mt-30 -129.16 133.5 47.63 Favored 'General case' 0 C--N 1.325 -0.463 0 CA-C-O 120.859 0.361 . . . . 0.0 111.529 -177.316 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 82' ' ' ILE . . . . . . . . . . . . . 56.0 mt -107.31 104.25 16.77 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.587 0 N-CA-C 108.563 -0.903 . . . . 0.0 108.563 170.621 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 83' ' ' VAL . . . . . . . . . . . . . 59.7 t -118.61 130.69 73.1 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.556 0 CA-C-O 120.752 0.311 . . . . 0.0 110.825 -176.671 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 84' ' ' LEU . . . . . 0.403 ' CD1' ' HB3' ' A' ' 74' ' ' PHE . 2.6 mm? -85.52 166.71 16.06 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-O 121.646 0.736 . . . . 0.0 111.575 179.716 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 85' ' ' SER . . . . . 0.502 ' O ' ' HB1' ' A' ' 73' ' ' ALA . 20.2 t -161.2 167.78 25.42 Favored 'General case' 0 N--CA 1.445 -0.716 0 CA-C-N 114.521 -1.218 . . . . 0.0 108.447 171.516 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 86' ' ' ARG . . . . . . . . . . . . . 8.0 ptp180 -102.78 78.02 1.64 Allowed 'General case' 0 C--N 1.319 -0.739 0 CA-C-O 121.748 0.785 . . . . 0.0 110.76 -178.927 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 87' ' ' LEU . . . . . 0.434 HD12 ' CB ' ' A' ' 73' ' ' ALA . 10.7 mp -83.4 153.17 65.33 Favored Pre-proline 0 C--N 1.325 -0.472 0 CA-C-N 115.176 -0.92 . . . . 0.0 110.155 178.504 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 88' ' ' PRO . . . . . . . . . . . . . 6.3 Cg_endo -86.78 63.8 4.55 Favored 'Trans proline' 0 N--CA 1.452 -0.926 0 C-N-CA 122.994 2.463 . . . . 0.0 111.399 -179.959 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 89' ' ' THR . . . . . . . . . . . . . 15.2 m -72.52 95.08 1.76 Allowed 'General case' 0 C--N 1.321 -0.665 0 CA-C-N 115.576 -0.738 . . . . 0.0 110.765 -179.552 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 90' ' ' ALA . . . . . . . . . . . . . . . -101.51 110.53 22.55 Favored 'General case' 0 C--N 1.32 -0.709 0 CA-C-N 115.873 -0.603 . . . . 0.0 110.402 175.833 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 91' ' ' ASN . . . . . . . . . . . . . 9.4 p30 -85.06 -16.87 39.21 Favored 'General case' 0 C--N 1.326 -0.451 0 CA-C-O 120.933 0.397 . . . . 0.0 110.428 179.941 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 92' ' ' GLY . . . . . . . . . . . . . . . -110.23 24.08 19.22 Favored Glycine 0 N--CA 1.448 -0.523 0 C-N-CA 120.71 -0.757 . . . . 0.0 112.414 -179.507 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 17.4 t70 -78.09 -40.26 38.95 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-O 120.805 0.336 . . . . 0.0 110.812 -178.859 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 94' ' ' GLY . . . . . . . . . . . . . . . 95.58 -30.29 8.54 Favored Glycine 0 N--CA 1.45 -0.417 0 C-N-CA 120.967 -0.635 . . . . 0.0 112.563 179.936 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 95' ' ' GLY . . . . . . . . . . . . . . . 119.57 61.48 0.26 Allowed Glycine 0 N--CA 1.446 -0.652 0 C-N-CA 120.681 -0.771 . . . . 0.0 112.509 178.895 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 96' ' ' ALA . . . . . . . . . . . . . . . -141.11 79.69 1.7 Allowed 'General case' 0 C--N 1.323 -0.546 0 N-CA-C 109.918 -0.401 . . . . 0.0 109.918 175.831 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 97' ' ' LEU . . . . . . . . . . . . . 87.7 mt 66.92 -161.07 0.24 Allowed 'General case' 0 N--CA 1.464 0.263 0 CA-C-N 115.769 -0.65 . . . . 0.0 110.069 -173.866 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 98' ' ' ALA . . . . . . . . . . . . . . . 71.96 -52.24 0.7 Allowed 'General case' 0 N--CA 1.471 0.612 0 C-N-CA 123.521 0.728 . . . . 0.0 111.254 -178.189 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 99' ' ' LEU . . . . . . . . . . . . . 4.5 pp -66.16 -13.34 60.03 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.933 177.76 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 100' ' ' ASP . . . . . . . . . . . . . 12.0 t70 -64.99 -49.31 70.77 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 115.958 -0.564 . . . . 0.0 109.892 174.899 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 19.4 m -74.13 -13.09 60.77 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 115.955 -0.566 . . . . 0.0 110.453 178.616 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 102' ' ' LEU . . . . . . . . . . . . . 49.6 tp -73.59 -18.74 61.03 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 115.733 -0.667 . . . . 0.0 110.054 176.477 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 103' ' ' THR . . . . . . . . . . . . . 22.0 m -73.59 -52.81 12.18 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-O 121.373 0.606 . . . . 0.0 110.537 177.313 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 104' ' ' VAL . . . . . . . . . . . . . 8.4 p -161.41 143.86 3.93 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 CA-C-N 115.513 -0.767 . . . . 0.0 110.064 -177.34 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 105' ' ' LEU . . . . . 0.422 ' N ' HD23 ' A' ' 105' ' ' LEU . 2.4 pt? -163.38 -29.25 0.04 OUTLIER 'General case' 0 C--N 1.326 -0.441 0 CA-C-N 116.452 -0.34 . . . . 0.0 110.532 -179.175 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 106' ' ' GLY . . . . . . . . . . . . . . . 151.32 148.53 4.83 Favored Glycine 0 N--CA 1.444 -0.77 0 C-N-CA 120.846 -0.692 . . . . 0.0 112.379 178.747 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 107' ' ' ALA . . . . . . . . . . . . . . . -100.48 149.85 23.26 Favored 'General case' 0 C--N 1.322 -0.587 0 N-CA-C 110.199 -0.297 . . . . 0.0 110.199 177.444 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 108' ' ' GLY . . . . . . . . . . . . . . . 120.05 98.99 1.74 Allowed Glycine 0 N--CA 1.447 -0.583 0 C-N-CA 120.515 -0.85 . . . . 0.0 112.402 179.504 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 109' ' ' GLY . . . . . . . . . . . . . . . -162.64 156.28 27.9 Favored Glycine 0 N--CA 1.445 -0.706 0 N-CA-C 111.449 -0.66 . . . . 0.0 111.449 178.415 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 110' ' ' ASN . . . . . . . . . . . . . 4.2 t-20 -113.64 143.24 44.91 Favored 'General case' 0 C--N 1.323 -0.563 0 N-CA-C 109.696 -0.483 . . . . 0.0 109.696 179.767 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 111' ' ' ASN . . . . . 0.438 ' ND2' ' HB ' ' A' ' 67' ' ' ILE . 58.6 t30 -123.63 68.36 1.02 Allowed 'General case' 0 C--N 1.324 -0.501 0 CA-C-O 121.413 0.625 . . . . 0.0 110.284 -177.625 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 112' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.251 1.152 0 CA-C-O 118.19 -0.909 . . . . 0.0 109.976 179.837 . . . . . . . . 0 0 . 1 . 018 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 32.9 t . . . . . 0 N--CA 1.477 0.879 0 N-CA-C 110.196 -0.298 . . . . 0.0 110.196 . . . . . . . . . 0 0 . 1 . 018 nuclear orig full ' A' A ' 7' ' ' MET . . . . . . . . . . . . . 75.0 mtm 62.32 76.0 0.38 Allowed 'General case' 0 C--O 1.232 0.177 0 O-C-N 123.702 0.626 . . . . 0.0 111.426 -179.26 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -88.13 -48.0 8.05 Favored 'General case' 0 C--N 1.326 -0.451 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.188 176.957 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 9' ' ' GLN . . . . . . . . . . . . . 52.8 tt0 -76.28 -28.91 57.22 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.092 -0.504 . . . . 0.0 109.948 179.341 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -89.14 9.2 26.42 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 115.726 -0.67 . . . . 0.0 111.011 179.081 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -79.53 47.66 0.85 Allowed 'General case' 0 C--N 1.33 -0.266 0 CA-C-O 121.273 0.558 . . . . 0.0 110.363 177.79 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 11.7 pt20 -140.55 165.73 26.65 Favored 'General case' 0 C--N 1.321 -0.671 0 CA-C-N 115.521 -0.763 . . . . 0.0 110.114 -176.028 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 10.7 pt20 -135.0 157.29 47.32 Favored 'General case' 0 C--N 1.319 -0.726 0 CA-C-N 116.126 -0.488 . . . . 0.0 109.856 175.903 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 14' ' ' LYS . . . . . 0.507 ' HB2' ' CE2' ' A' ' 16' ' ' PHE . 28.3 mmmt -122.84 146.07 47.88 Favored 'General case' 0 C--N 1.321 -0.659 0 N-CA-C 109.849 -0.426 . . . . 0.0 109.849 -178.929 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 15' ' ' ASN . . . . . . . . . . . . . 10.3 t30 -93.0 101.92 14.26 Favored 'General case' 0 C--N 1.322 -0.62 0 CA-C-O 120.954 0.407 . . . . 0.0 110.095 179.04 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 16' ' ' PHE . . . . . 0.507 ' CE2' ' HB2' ' A' ' 14' ' ' LYS . 91.4 m-85 -100.49 134.92 42.73 Favored 'General case' 0 C--N 1.322 -0.623 0 CA-C-N 115.838 -0.619 . . . . 0.0 110.556 -178.604 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 3.4 p30 -132.62 89.35 2.63 Favored 'General case' 0 C--N 1.32 -0.714 0 CA-C-O 121.599 0.714 . . . . 0.0 109.19 173.127 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 18' ' ' ILE . . . . . . . . . . . . . 21.4 mm -115.21 115.75 50.39 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.522 0 CA-C-N 115.551 -0.749 . . . . 0.0 110.705 -173.181 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -72.68 153.98 40.94 Favored 'General case' 0 C--N 1.324 -0.513 0 N-CA-C 108.789 -0.819 . . . . 0.0 108.789 171.577 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -68.7 101.63 1.35 Allowed 'General case' 0 N--CA 1.454 -0.274 0 CA-C-O 121.637 0.732 . . . . 0.0 110.679 -175.341 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 21' ' ' GLN . . . . . . . . . . . . . 35.9 mt-30 -107.14 170.72 5.34 Favored Pre-proline 0 C--N 1.319 -0.73 0 CA-C-N 114.647 -1.16 . . . . 0.0 109.599 174.996 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 22' ' ' PRO . . . . . . . . . . . . . 54.5 Cg_exo -54.04 130.35 39.0 Favored 'Trans proline' 0 N--CA 1.461 -0.432 0 C-N-CA 121.657 1.571 . . . . 0.0 109.861 165.012 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -51.26 -44.57 61.81 Favored 'General case' 0 C--N 1.327 -0.375 0 N-CA-C 112.541 0.571 . . . . 0.0 112.541 -166.561 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 24' ' ' GLN . . . . . 0.487 ' HG3' ' C ' ' A' ' 112' ' ' ALA . 67.7 mt-30 -52.38 -55.73 19.7 Favored 'General case' 0 N--CA 1.465 0.321 0 O-C-N 123.235 0.334 . . . . 0.0 111.9 176.895 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 25' ' ' SER . . . . . 0.658 ' O ' ' HG2' ' A' ' 29' ' ' ARG . 19.1 p -69.74 -25.3 63.77 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.717 -0.22 . . . . 0.0 111.525 -178.616 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -56.73 -56.48 20.96 Favored 'General case' 0 C--O 1.234 0.243 0 CA-C-O 121.296 0.569 . . . . 0.0 111.173 -178.688 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 27' ' ' MET . . . . . 0.484 ' HE3' HD21 ' A' ' 111' ' ' ASN . 43.6 mtt -74.39 -29.17 61.42 Favored 'General case' 0 C--N 1.321 -0.648 0 CA-C-N 115.868 -0.606 . . . . 0.0 109.947 179.982 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 28' ' ' LEU . . . . . 0.404 ' O ' ' HB3' ' A' ' 32' ' ' GLU . 50.9 tp -58.31 -25.45 61.9 Favored 'General case' 0 C--O 1.213 -0.843 0 CA-C-N 116.387 -0.37 . . . . 0.0 110.277 176.843 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 29' ' ' ARG . . . . . 0.658 ' HG2' ' O ' ' A' ' 25' ' ' SER . 1.5 mmp_? -74.21 -60.76 2.12 Favored 'General case' 0 C--N 1.327 -0.394 0 O-C-N 122.259 -0.276 . . . . 0.0 111.575 178.667 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 30' ' ' PHE . . . . . 0.416 ' CD2' ' HA ' ' A' ' 27' ' ' MET . 5.2 p90 -80.85 -40.11 25.37 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-O 121.168 0.509 . . . . 0.0 111.469 -173.453 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 31' ' ' ALA . . . . . 0.406 ' HB1' ' HB2' ' A' ' 36' ' ' MET . . . -74.53 -33.5 62.77 Favored 'General case' 0 C--N 1.323 -0.561 0 CA-C-N 115.852 -0.613 . . . . 0.0 111.761 -172.636 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 32' ' ' GLU . . . . . 0.404 ' HB3' ' O ' ' A' ' 28' ' ' LEU . 8.0 pt-20 -61.79 -33.05 73.42 Favored 'General case' 0 N--CA 1.466 0.373 0 C-N-CA 120.085 -0.646 . . . . 0.0 110.351 -178.948 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 33' ' ' GLN . . . . . . . . . . . . . 76.7 mt-30 -76.67 -19.66 57.51 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 115.867 -0.606 . . . . 0.0 110.579 -179.47 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -95.14 -8.02 37.59 Favored 'General case' 0 C--N 1.326 -0.449 0 CA-C-N 116.053 -0.521 . . . . 0.0 111.15 177.574 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 88.96 34.95 8.5 Favored Glycine 0 N--CA 1.451 -0.302 0 C-N-CA 120.959 -0.639 . . . . 0.0 112.294 -179.642 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 36' ' ' MET . . . . . 0.406 ' HB2' ' HB1' ' A' ' 31' ' ' ALA . 89.6 mtp -135.27 157.39 47.04 Favored 'General case' 0 C--N 1.327 -0.37 0 N-CA-C 110.173 -0.306 . . . . 0.0 110.173 -179.246 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 37' ' ' GLN . . . . . 0.42 ' O ' ' HA ' ' A' ' 81' ' ' GLN . 10.2 tt0 -151.66 159.05 44.17 Favored 'General case' 0 C--N 1.325 -0.47 0 N-CA-C 109.994 -0.373 . . . . 0.0 109.994 -179.637 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 21.4 t -77.67 133.27 30.92 Favored 'Isoleucine or valine' 0 C--O 1.235 0.307 0 CA-C-N 116.577 -0.283 . . . . 0.0 110.412 -177.773 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 39' ' ' PHE . . . . . 0.454 ' HB2' ' HB2' ' A' ' 81' ' ' GLN . 86.4 t80 -101.49 123.19 45.13 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.293 -0.412 . . . . 0.0 110.78 -178.154 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 40' ' ' PHE . . . . . . . . . . . . . 20.6 p90 -167.69 140.92 3.35 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-N 115.929 -0.578 . . . . 0.0 110.098 178.86 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 9.1 p-10 -79.45 -177.68 5.9 Favored 'General case' 0 C--N 1.326 -0.456 0 N-CA-C 109.542 -0.54 . . . . 0.0 109.542 176.274 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 42.2 mt-10 -67.35 89.48 0.21 Allowed 'General case' 0 C--O 1.235 0.34 0 CA-C-O 121.406 0.622 . . . . 0.0 111.395 -176.005 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 43' ' ' VAL . . . . . . . . . . . . . 28.0 m -131.73 -177.99 2.41 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.586 0 CA-C-N 115.478 -0.783 . . . . 0.0 110.421 -179.275 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 38.6 ttpt -139.0 121.06 15.67 Favored 'General case' 0 C--N 1.32 -0.688 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.032 177.041 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 59.3 tp -106.6 98.98 8.58 Favored 'General case' 0 C--N 1.32 -0.704 0 N-CA-C 109.519 -0.549 . . . . 0.0 109.519 175.587 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 28.5 t70 -68.23 127.07 31.6 Favored 'General case' 0 C--N 1.324 -0.528 0 CA-C-N 116.319 -0.4 . . . . 0.0 110.174 179.669 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 89.36 17.23 55.82 Favored Glycine 0 N--CA 1.444 -0.811 0 C-N-CA 120.718 -0.753 . . . . 0.0 111.797 -177.745 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 48' ' ' MET . . . . . . . . . . . . . 23.1 ptt? -57.66 118.37 5.19 Favored 'General case' 0 C--O 1.234 0.243 0 CA-C-O 121.169 0.509 . . . . 0.0 110.475 178.613 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 10.1 tt0 -164.38 143.45 7.35 Favored 'General case' 0 C--N 1.322 -0.59 0 CA-C-N 116.048 -0.524 . . . . 0.0 110.174 -177.596 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -83.41 148.0 27.54 Favored 'General case' 0 C--N 1.32 -0.712 0 CA-C-N 115.929 -0.578 . . . . 0.0 110.154 178.034 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -76.34 170.93 15.42 Favored 'General case' 0 C--N 1.322 -0.593 0 CA-C-N 116.1 -0.5 . . . . 0.0 109.916 176.967 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -69.27 89.33 0.47 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 121.174 0.511 . . . . 0.0 110.227 179.546 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -99.31 99.48 10.43 Favored 'General case' 0 N--CA 1.446 -0.668 0 CA-C-N 115.759 -0.655 . . . . 0.0 109.86 -174.718 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 54' ' ' ASN . . . . . . . . . . . . . 4.2 p30 -144.58 99.76 3.41 Favored 'General case' 0 C--N 1.321 -0.65 0 CA-C-N 116.024 -0.535 . . . . 0.0 110.337 179.107 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . 177.92 169.63 39.11 Favored Glycine 0 N--CA 1.449 -0.482 0 C-N-CA 120.553 -0.832 . . . . 0.0 112.548 179.604 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 23.1 t -105.38 106.28 16.7 Favored 'General case' 0 C--N 1.322 -0.591 0 N-CA-C 109.142 -0.688 . . . . 0.0 109.142 175.381 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 57' ' ' MET . . . . . . . . . . . . . 10.5 ptt? -156.24 168.5 27.12 Favored 'General case' 0 C--N 1.324 -0.537 0 CA-C-N 116.085 -0.507 . . . . 0.0 110.516 -173.44 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 32.2 m -75.63 163.73 27.03 Favored 'General case' 0 C--N 1.324 -0.533 0 CA-C-N 116.467 -0.333 . . . . 0.0 111.109 -176.577 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 59' ' ' VAL . . . . . . . . . . . . . 29.4 t -53.5 -42.19 48.45 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.396 0 CA-C-O 120.553 0.216 . . . . 0.0 111.394 -176.615 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 60' ' ' GLU . . . . . 0.53 ' HA ' ' CZ ' ' A' ' 74' ' ' PHE . 44.1 mt-10 -55.07 -51.25 66.95 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-N 116.277 -0.42 . . . . 0.0 111.563 178.026 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 61' ' ' GLN . . . . . . . . . . . . . 30.4 mm-40 -68.97 -38.85 79.61 Favored 'General case' 0 C--N 1.325 -0.487 0 CA-C-O 120.788 0.328 . . . . 0.0 110.797 -179.852 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 62' ' ' GLY . . . . . 0.457 ' O ' ' HB2' ' A' ' 66' ' ' LEU . . . -62.74 -56.8 19.11 Favored Glycine 0 N--CA 1.446 -0.687 0 C-N-CA 121.045 -0.598 . . . . 0.0 112.509 -178.957 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 63' ' ' LEU . . . . . 0.447 ' O ' HG13 ' A' ' 67' ' ' ILE . 3.8 mm? -64.97 -46.25 82.28 Favored 'General case' 0 C--N 1.327 -0.401 0 N-CA-C 112.022 0.378 . . . . 0.0 112.022 -175.456 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 64' ' ' ARG . . . . . . . . . . . . . 74.3 mtt180 -59.3 -37.76 78.51 Favored 'General case' 0 N--CA 1.466 0.33 0 CA-C-O 120.755 0.312 . . . . 0.0 111.365 -177.705 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 65' ' ' ARG . . . . . . . . . . . . . 67.8 ttt180 -78.53 -39.4 38.01 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-O 120.79 0.328 . . . . 0.0 110.57 177.742 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 66' ' ' LEU . . . . . 0.457 ' HB2' ' O ' ' A' ' 62' ' ' GLY . 4.5 tt -59.85 -42.54 93.85 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 115.818 -0.628 . . . . 0.0 110.365 -179.95 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 67' ' ' ILE . . . . . 0.447 HG13 ' O ' ' A' ' 63' ' ' LEU . 71.8 mt -73.81 -62.11 1.44 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.417 0 CA-C-N 115.573 -0.74 . . . . 0.0 111.059 -179.131 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . -113.43 -59.64 0.41 Allowed Glycine 0 N--CA 1.446 -0.686 0 C-N-CA 120.605 -0.807 . . . . 0.0 113.653 -175.556 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . 101.89 -19.86 47.99 Favored Glycine 0 N--CA 1.451 -0.343 0 N-CA-C 110.076 -1.21 . . . . 0.0 110.076 -168.833 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 70' ' ' ASN . . . . . . . . . . . . . 16.0 m120 -98.62 161.98 23.28 Favored Pre-proline 0 C--N 1.323 -0.559 0 CA-C-N 114.525 -0.838 . . . . 0.0 108.814 175.689 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 71' ' ' PRO . . . . . . . . . . . . . 18.7 Cg_endo -60.18 98.81 0.13 Allowed 'Trans proline' 0 C--N 1.347 0.456 0 C-N-CA 122.125 1.883 . . . . 0.0 112.124 177.144 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 72' ' ' VAL . . . . . . . . . . . . . 9.6 p -143.01 159.57 17.93 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.683 0 N-CA-C 108.55 -0.907 . . . . 0.0 108.55 -179.706 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -115.64 133.6 55.87 Favored 'General case' 0 N--CA 1.445 -0.713 0 C-N-CA 120.567 -0.453 . . . . 0.0 111.56 -170.841 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 74' ' ' PHE . . . . . 0.649 ' CE1' ' HG ' ' A' ' 76' ' ' LEU . 3.2 p90 -105.99 159.61 15.92 Favored 'General case' 0 C--N 1.315 -0.895 0 N-CA-C 108.65 -0.87 . . . . 0.0 108.65 171.895 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 75' ' ' ARG . . . . . . . . . . . . . 58.7 mtm180 -123.56 104.61 9.15 Favored 'General case' 0 C--N 1.317 -0.827 0 CA-C-O 121.131 0.491 . . . . 0.0 110.366 175.131 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 76' ' ' LEU . . . . . 0.649 ' HG ' ' CE1' ' A' ' 74' ' ' PHE . 50.0 mt -92.27 122.8 35.09 Favored 'General case' 0 C--N 1.324 -0.514 0 CA-C-N 115.661 -0.7 . . . . 0.0 110.015 177.639 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 77' ' ' GLN . . . . . . . . . . . . . 23.3 mt-30 -114.12 142.6 28.22 Favored Pre-proline 0 C--N 1.316 -0.868 0 CA-C-N 116.039 -0.528 . . . . 0.0 109.8 179.715 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 78' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_exo -54.59 -10.42 2.38 Favored 'Trans proline' 0 C--N 1.352 0.712 0 C-N-CA 123.958 3.106 . . . . 0.0 114.107 -176.571 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 79' ' ' GLN . . . . . . . . . . . . . 76.3 mt-30 -67.11 -19.83 65.69 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 121.038 0.447 . . . . 0.0 110.36 174.981 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . 95.75 42.0 3.71 Favored Glycine 0 N--CA 1.449 -0.441 0 C-N-CA 120.931 -0.652 . . . . 0.0 112.301 178.375 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 81' ' ' GLN . . . . . 0.454 ' HB2' ' HB2' ' A' ' 39' ' ' PHE . 13.3 pt20 -131.43 150.79 52.01 Favored 'General case' 0 C--N 1.326 -0.454 0 CA-C-O 120.894 0.378 . . . . 0.0 110.995 -177.97 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 82' ' ' ILE . . . . . 0.478 HG22 HD22 ' A' ' 111' ' ' ASN . 25.6 mt -119.21 123.54 71.52 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.42 0 CA-C-N 115.643 -0.708 . . . . 0.0 110.145 -179.537 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 83' ' ' VAL . . . . . . . . . . . . . 7.1 p -139.08 139.03 40.85 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.537 0 CA-C-O 120.801 0.334 . . . . 0.0 110.714 178.129 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 84' ' ' LEU . . . . . 0.432 HD11 HG21 ' A' ' 67' ' ' ILE . 50.3 tp -88.62 151.39 22.5 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-N 116.176 -0.466 . . . . 0.0 111.108 -178.923 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 85' ' ' SER . . . . . . . . . . . . . 40.2 m -137.49 137.62 38.87 Favored 'General case' 0 N--CA 1.445 -0.707 0 N-CA-C 109.699 -0.482 . . . . 0.0 109.699 177.283 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 86' ' ' ARG . . . . . . . . . . . . . 23.5 tpp180 -76.61 81.0 3.27 Favored 'General case' 0 C--N 1.326 -0.45 0 CA-C-O 121.457 0.646 . . . . 0.0 110.091 -179.718 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 87' ' ' LEU . . . . . 0.484 HD12 ' O ' ' A' ' 102' ' ' LEU . 15.9 mt -136.44 118.79 11.79 Favored Pre-proline 0 C--N 1.322 -0.611 0 CA-C-N 115.243 -0.89 . . . . 0.0 109.425 -178.937 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 88' ' ' PRO . . . . . . . . . . . . . 16.3 Cg_exo -68.48 108.73 1.88 Allowed 'Trans proline' 0 C--O 1.233 0.242 0 C-N-CA 122.684 2.256 . . . . 0.0 112.02 -179.952 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 89' ' ' THR . . . . . . . . . . . . . 6.0 m -52.99 120.89 6.38 Favored 'General case' 0 C--O 1.234 0.248 0 CA-C-N 116.258 -0.428 . . . . 0.0 111.257 -179.707 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 90' ' ' ALA . . . . . . . . . . . . . . . -67.8 107.71 2.71 Favored 'General case' 0 N--CA 1.454 -0.235 0 CA-C-O 120.942 0.401 . . . . 0.0 111.211 -176.559 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 91' ' ' ASN . . . . . . . . . . . . . 8.4 p30 -131.16 -37.69 1.25 Allowed 'General case' 0 C--N 1.324 -0.538 0 CA-C-N 115.974 -0.557 . . . . 0.0 110.456 178.161 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 92' ' ' GLY . . . . . . . . . . . . . . . -87.91 -38.29 7.49 Favored Glycine 0 N--CA 1.45 -0.395 0 C-N-CA 120.742 -0.742 . . . . 0.0 111.966 178.213 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 9.8 t70 -68.78 -30.56 69.16 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-O 121.056 0.455 . . . . 0.0 110.869 178.824 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 94' ' ' GLY . . . . . . . . . . . . . . . 96.89 -30.35 9.11 Favored Glycine 0 N--CA 1.449 -0.475 0 C-N-CA 120.927 -0.654 . . . . 0.0 112.597 -177.765 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 95' ' ' GLY . . . . . . . . . . . . . . . 124.55 -20.87 6.84 Favored Glycine 0 N--CA 1.448 -0.551 0 C-N-CA 119.942 -1.123 . . . . 0.0 113.307 174.243 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 96' ' ' ALA . . . . . 0.455 ' O ' ' HB2' ' A' ' 97' ' ' LEU . . . -57.69 108.08 0.53 Allowed 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 116.814 0.307 . . . . 0.0 111.027 -178.041 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 97' ' ' LEU . . . . . 0.455 ' HB2' ' O ' ' A' ' 96' ' ' ALA . 8.7 mp 74.89 -22.71 0.25 Allowed 'General case' 0 N--CA 1.472 0.645 0 C-N-CA 123.67 0.788 . . . . 0.0 111.621 -178.421 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 98' ' ' ALA . . . . . 0.485 ' O ' ' HG ' ' A' ' 102' ' ' LEU . . . -66.12 -28.62 68.94 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.945 0.402 . . . . 0.0 110.706 -179.968 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 99' ' ' LEU . . . . . . . . . . . . . 84.0 mt -61.37 -31.75 71.64 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 115.882 -0.599 . . . . 0.0 110.664 177.65 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 100' ' ' ASP . . . . . . . . . . . . . 20.3 t70 -72.01 -37.19 69.83 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 121.078 0.466 . . . . 0.0 109.809 176.914 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 18.8 m -65.0 -21.23 66.82 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-N 116.067 -0.515 . . . . 0.0 110.132 176.991 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 102' ' ' LEU . . . . . 0.485 ' HG ' ' O ' ' A' ' 98' ' ' ALA . 83.5 mt -82.14 8.51 10.72 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-N 115.81 -0.632 . . . . 0.0 111.278 178.499 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 103' ' ' THR . . . . . . . . . . . . . 74.1 p -121.41 -3.27 9.41 Favored 'General case' 0 C--N 1.326 -0.44 0 CA-C-O 121.182 0.515 . . . . 0.0 110.547 174.068 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 104' ' ' VAL . . . . . . . . . . . . . 58.8 t -91.13 104.11 15.13 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.51 0 CA-C-N 115.752 -0.658 . . . . 0.0 111.162 -175.934 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 105' ' ' LEU . . . . . . . . . . . . . 55.8 tp 60.44 88.98 0.07 Allowed 'General case' 0 N--CA 1.463 0.212 0 CA-C-N 115.401 -0.818 . . . . 0.0 111.716 176.222 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 106' ' ' GLY . . . . . . . . . . . . . . . -79.22 -31.54 42.0 Favored Glycine 0 N--CA 1.447 -0.576 0 C-N-CA 120.62 -0.8 . . . . 0.0 111.94 178.174 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 107' ' ' ALA . . . . . . . . . . . . . . . -60.86 133.91 56.56 Favored 'General case' 0 C--N 1.325 -0.472 0 CA-C-O 120.859 0.361 . . . . 0.0 111.329 -179.344 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 108' ' ' GLY . . . . . . . . . . . . . . . 164.27 -26.68 0.2 Allowed Glycine 0 N--CA 1.448 -0.566 0 C-N-CA 121.014 -0.612 . . . . 0.0 112.21 -179.601 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 109' ' ' GLY . . . . . . . . . . . . . . . -158.09 137.95 5.54 Favored Glycine 0 N--CA 1.449 -0.495 0 C-N-CA 120.932 -0.651 . . . . 0.0 111.688 179.753 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 110' ' ' ASN . . . . . . . . . . . . . 3.4 p-10 -108.12 152.99 23.79 Favored 'General case' 0 C--N 1.325 -0.499 0 CA-C-O 120.896 0.379 . . . . 0.0 110.245 -179.102 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 111' ' ' ASN . . . . . 0.484 HD21 ' HE3' ' A' ' 27' ' ' MET . 15.3 p-10 -112.12 58.06 0.64 Allowed 'General case' 0 C--N 1.32 -0.69 0 CA-C-O 121.368 0.604 . . . . 0.0 110.245 179.162 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 112' ' ' ALA . . . . . 0.487 ' C ' ' HG3' ' A' ' 24' ' ' GLN . . . . . . . . 0 C--O 1.246 0.881 0 CA-C-N 115.334 -0.848 . . . . 0.0 110.609 -175.885 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 26.8 m . . . . . 0 N--CA 1.474 0.739 0 CA-C-O 120.692 0.282 . . . . 0.0 110.481 . . . . . . . . . 0 0 . 1 . 019 nuclear orig full ' A' A ' 7' ' ' MET . . . . . . . . . . . . . 49.5 ttm -117.09 -59.61 1.93 Allowed 'General case' 0 C--N 1.327 -0.404 0 CA-C-O 120.69 0.281 . . . . 0.0 110.342 178.206 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -73.94 -37.31 64.61 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.248 -0.433 . . . . 0.0 111.358 -177.151 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 9' ' ' GLN . . . . . . . . . . . . . 86.5 mm-40 -86.18 -1.79 57.76 Favored 'General case' 0 C--N 1.326 -0.438 0 CA-C-O 121.088 0.47 . . . . 0.0 110.953 -179.734 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -102.71 19.95 18.19 Favored 'General case' 0 C--N 1.323 -0.575 0 CA-C-N 115.907 -0.588 . . . . 0.0 110.232 179.508 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . 67.85 101.97 0.05 Allowed 'General case' 0 C--O 1.232 0.173 0 O-C-N 124.069 0.856 . . . . 0.0 110.376 -177.041 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 12' ' ' GLN . . . . . 0.568 ' O ' ' HA ' ' A' ' 58' ' ' SER . 11.4 pt20 -64.01 122.68 17.11 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-N 115.613 -0.722 . . . . 0.0 111.627 -174.043 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 9.7 tt0 -84.8 114.18 21.89 Favored 'General case' 0 C--N 1.324 -0.509 0 CA-C-N 115.976 -0.557 . . . . 0.0 110.592 -179.777 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 14' ' ' LYS . . . . . 0.508 ' HB2' ' CE2' ' A' ' 16' ' ' PHE . 14.7 mmmm -123.28 161.43 24.62 Favored 'General case' 0 C--N 1.324 -0.521 0 N-CA-C 109.778 -0.452 . . . . 0.0 109.778 179.285 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 15' ' ' ASN . . . . . . . . . . . . . 3.9 t-20 -96.25 123.94 40.07 Favored 'General case' 0 C--N 1.321 -0.648 0 N-CA-C 109.897 -0.408 . . . . 0.0 109.897 178.343 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 16' ' ' PHE . . . . . 0.508 ' CE2' ' HB2' ' A' ' 14' ' ' LYS . 85.4 m-85 -128.45 143.81 51.04 Favored 'General case' 0 C--N 1.324 -0.501 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.638 -179.309 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 17' ' ' ASN . . . . . 0.459 ' HA ' ' O ' ' A' ' 53' ' ' LEU . 2.8 t-20 -144.12 92.18 2.29 Favored 'General case' 0 C--N 1.323 -0.546 0 CA-C-O 121.329 0.585 . . . . 0.0 109.804 176.034 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 18' ' ' ILE . . . . . . . . . . . . . 12.3 mm -112.04 129.68 67.08 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.713 0 CA-C-N 115.517 -0.765 . . . . 0.0 109.717 -176.843 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -76.11 159.9 30.28 Favored 'General case' 0 C--N 1.324 -0.528 0 N-CA-C 109.221 -0.659 . . . . 0.0 109.221 174.686 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -69.76 101.95 1.81 Allowed 'General case' 0 N--CA 1.453 -0.304 0 CA-C-O 121.483 0.659 . . . . 0.0 110.258 -178.092 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 21' ' ' GLN . . . . . . . . . . . . . 65.8 mt-30 -106.92 172.18 4.07 Favored Pre-proline 0 C--N 1.32 -0.683 0 CA-C-N 114.903 -1.044 . . . . 0.0 110.048 178.05 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 22' ' ' PRO . . . . . . . . . . . . . 50.5 Cg_exo -56.28 128.78 31.55 Favored 'Trans proline' 0 C--N 1.345 0.382 0 C-N-CA 121.599 1.532 . . . . 0.0 109.385 163.572 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 42.2 tp -49.82 -44.27 49.24 Favored 'General case' 0 N--CA 1.468 0.435 0 N-CA-C 113.251 0.834 . . . . 0.0 113.251 -166.911 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 27.5 mt-30 -65.55 -33.77 76.68 Favored 'General case' 0 C--N 1.325 -0.462 0 C-N-CA 121.076 -0.25 . . . . 0.0 111.669 -177.242 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 48.8 m -85.88 -25.68 26.05 Favored 'General case' 0 C--N 1.324 -0.539 0 CA-C-O 120.99 0.424 . . . . 0.0 110.338 177.776 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -59.12 -54.9 41.74 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 115.698 -0.683 . . . . 0.0 110.788 177.946 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 27' ' ' MET . . . . . 0.664 ' HB2' ' CG1' ' A' ' 38' ' ' VAL . 52.0 mtt -69.68 -24.74 63.64 Favored 'General case' 0 C--O 1.213 -0.861 0 CA-C-N 116.017 -0.538 . . . . 0.0 110.292 178.937 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 28' ' ' LEU . . . . . 0.671 ' O ' ' HG3' ' A' ' 32' ' ' GLU . 8.9 tt -60.96 -47.67 85.39 Favored 'General case' 0 C--N 1.321 -0.633 0 N-CA-C 108.656 -0.868 . . . . 0.0 108.656 175.803 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 29' ' ' ARG . . . . . 0.518 ' HD3' ' OE1' ' A' ' 32' ' ' GLU . 28.2 mmt180 -71.25 -43.6 66.94 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.213 -0.448 . . . . 0.0 111.395 179.792 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 6.0 t80 -63.28 -53.68 49.04 Favored 'General case' 0 C--N 1.325 -0.489 0 CA-C-O 121.276 0.56 . . . . 0.0 111.038 178.161 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -72.41 -15.6 61.84 Favored 'General case' 0 C--N 1.321 -0.637 0 CA-C-N 115.712 -0.676 . . . . 0.0 111.057 -175.358 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 32' ' ' GLU . . . . . 0.671 ' HG3' ' O ' ' A' ' 28' ' ' LEU . 18.3 mt-10 -52.04 -37.45 53.61 Favored 'General case' 0 N--CA 1.468 0.452 0 C-N-CA 120.502 -0.479 . . . . 0.0 109.869 168.944 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 33' ' ' GLN . . . . . . . . . . . . . 16.3 mm100 -90.81 -13.48 33.76 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 115.876 -0.602 . . . . 0.0 111.432 -179.345 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -100.46 -13.78 18.55 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-O 120.884 0.373 . . . . 0.0 111.768 -178.843 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 89.06 35.07 8.35 Favored Glycine 0 CA--C 1.519 0.316 0 C-N-CA 121.314 -0.47 . . . . 0.0 112.849 178.213 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 36' ' ' MET . . . . . . . . . . . . . 65.0 mtm -145.93 175.91 10.09 Favored 'General case' 0 N--CA 1.465 0.286 0 CA-C-N 116.805 0.303 . . . . 0.0 111.242 -176.841 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 37' ' ' GLN . . . . . . . . . . . . . 25.1 mt-30 -149.71 162.77 39.58 Favored 'General case' 0 C--N 1.332 -0.193 0 C-N-CA 123.517 0.727 . . . . 0.0 109.592 175.822 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 38' ' ' VAL . . . . . 0.664 ' CG1' ' HB2' ' A' ' 27' ' ' MET . 33.7 m -76.38 143.61 12.84 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-O 121.06 0.457 . . . . 0.0 111.354 -175.747 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 39' ' ' PHE . . . . . . . . . . . . . 45.9 t80 -144.97 119.74 9.87 Favored 'General case' 0 C--N 1.322 -0.602 0 CA-C-N 115.828 -0.623 . . . . 0.0 109.94 176.889 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 40' ' ' PHE . . . . . . . . . . . . . 92.4 m-85 -134.79 170.02 16.48 Favored 'General case' 0 C--N 1.317 -0.84 0 N-CA-C 109.07 -0.715 . . . . 0.0 109.07 176.234 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 7.7 p-10 -65.99 151.42 46.83 Favored 'General case' 0 C--N 1.322 -0.619 0 N-CA-C 109.482 -0.562 . . . . 0.0 109.482 177.296 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 53.5 mt-10 -69.99 92.15 0.71 Allowed 'General case' 0 C--N 1.324 -0.501 0 CA-C-O 121.125 0.488 . . . . 0.0 111.228 -174.922 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 43' ' ' VAL . . . . . . . . . . . . . 11.7 p -149.52 136.42 13.0 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.61 0 CA-C-N 115.588 -0.733 . . . . 0.0 109.41 176.026 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 37.0 ttpt -83.96 90.84 7.48 Favored 'General case' 0 C--N 1.323 -0.586 0 CA-C-O 120.795 0.331 . . . . 0.0 110.35 -179.465 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 45.7 tp -123.17 111.36 16.41 Favored 'General case' 0 C--N 1.321 -0.658 0 CA-C-O 120.913 0.387 . . . . 0.0 110.076 177.612 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 25.6 t70 -106.74 161.56 14.56 Favored 'General case' 0 C--N 1.322 -0.627 0 CA-C-N 116.017 -0.538 . . . . 0.0 110.151 -178.655 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 111.41 21.6 6.47 Favored Glycine 0 N--CA 1.449 -0.433 0 C-N-CA 120.732 -0.746 . . . . 0.0 111.819 -178.575 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 48' ' ' MET . . . . . . . . . . . . . 64.3 mtt -99.44 119.29 37.76 Favored 'General case' 0 C--N 1.322 -0.591 0 CA-C-O 120.844 0.354 . . . . 0.0 110.218 -179.304 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 49' ' ' GLN . . . . . 0.496 ' HA ' HE21 ' A' ' 49' ' ' GLN . 0.0 OUTLIER -124.35 136.77 54.34 Favored 'General case' 0 C--N 1.32 -0.678 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.384 -178.871 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -83.55 163.26 20.53 Favored 'General case' 0 C--N 1.324 -0.532 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.212 177.604 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -97.98 167.95 10.59 Favored 'General case' 0 C--N 1.322 -0.622 0 CA-C-N 116.425 -0.352 . . . . 0.0 110.587 178.808 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -61.16 108.81 0.96 Allowed 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.051 -0.522 . . . . 0.0 110.753 178.429 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 53' ' ' LEU . . . . . 0.459 ' O ' ' HA ' ' A' ' 17' ' ' ASN . 1.4 tm? -104.61 110.8 23.25 Favored 'General case' 0 C--N 1.321 -0.643 0 CA-C-N 115.606 -0.725 . . . . 0.0 110.061 -175.368 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 54' ' ' ASN . . . . . . . . . . . . . 10.8 p30 -155.83 106.9 2.5 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-O 121.258 0.551 . . . . 0.0 111.126 174.888 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . 177.82 174.21 43.95 Favored Glycine 0 N--CA 1.449 -0.467 0 C-N-CA 120.161 -1.019 . . . . 0.0 112.936 177.504 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 38.2 p -105.36 109.37 21.32 Favored 'General case' 0 C--N 1.323 -0.563 0 N-CA-C 109.16 -0.682 . . . . 0.0 109.16 172.453 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 57' ' ' MET . . . . . . . . . . . . . 14.8 ptt? -159.52 174.13 15.11 Favored 'General case' 0 C--N 1.32 -0.693 0 CA-C-N 116.445 -0.343 . . . . 0.0 110.732 -173.139 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 58' ' ' SER . . . . . 0.568 ' HA ' ' O ' ' A' ' 12' ' ' GLN . 5.1 m -86.07 169.48 13.11 Favored 'General case' 0 C--N 1.318 -0.769 0 CA-C-N 116.082 -0.508 . . . . 0.0 110.566 -178.189 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 59' ' ' VAL . . . . . 0.528 ' O ' HD23 ' A' ' 63' ' ' LEU . 38.5 t -58.64 -44.01 88.7 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.346 0 CA-C-O 120.948 0.404 . . . . 0.0 110.356 -179.288 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 60' ' ' GLU . . . . . 0.531 ' O ' ' HG3' ' A' ' 64' ' ' ARG . 42.6 mp0 -55.79 -53.83 51.89 Favored 'General case' 0 C--N 1.325 -0.487 0 CA-C-N 115.664 -0.698 . . . . 0.0 110.521 178.997 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 61' ' ' GLN . . . . . . . . . . . . . 95.4 mt-30 -66.17 -36.9 84.3 Favored 'General case' 0 C--N 1.323 -0.57 0 CA-C-N 115.588 -0.733 . . . . 0.0 110.843 -178.365 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . -62.21 -52.35 50.26 Favored Glycine 0 N--CA 1.445 -0.765 0 CA-C-N 115.693 -0.685 . . . . 0.0 112.342 179.962 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 63' ' ' LEU . . . . . 0.528 HD23 ' O ' ' A' ' 59' ' ' VAL . 4.3 mm? -58.09 -45.26 87.5 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-O 120.52 0.2 . . . . 0.0 111.501 -178.537 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 64' ' ' ARG . . . . . 0.531 ' HG3' ' O ' ' A' ' 60' ' ' GLU . 92.4 mtt180 -53.03 -53.77 45.24 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.408 -0.36 . . . . 0.0 110.688 -179.743 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 65' ' ' ARG . . . . . . . . . . . . . 63.2 ttt180 -71.33 -36.13 71.44 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 115.886 -0.597 . . . . 0.0 111.361 -178.571 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 6.9 tt -62.96 -46.27 88.5 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 115.952 -0.567 . . . . 0.0 111.169 -175.737 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 67' ' ' ILE . . . . . 0.52 ' HB ' ' ND2' ' A' ' 111' ' ' ASN . 19.8 mt -82.62 -65.96 0.79 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 C-N-CA 120.559 -0.456 . . . . 0.0 111.67 -173.37 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . -117.0 -49.44 0.42 Allowed Glycine 0 N--CA 1.45 -0.382 0 C-N-CA 120.768 -0.729 . . . . 0.0 113.474 -176.93 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . 104.79 -8.61 46.76 Favored Glycine 0 N--CA 1.449 -0.453 0 N-CA-C 110.368 -1.093 . . . . 0.0 110.368 -166.096 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 70' ' ' ASN . . . . . 0.474 ' OD1' ' HD2' ' A' ' 71' ' ' PRO . 55.9 t30 -100.5 136.36 19.97 Favored Pre-proline 0 C--N 1.328 -0.356 0 CA-C-N 114.866 -0.667 . . . . 0.0 109.764 -179.653 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 71' ' ' PRO . . . . . 0.474 ' HD2' ' OD1' ' A' ' 70' ' ' ASN . 52.1 Cg_exo -54.72 117.46 4.01 Favored 'Trans proline' 0 C--N 1.346 0.407 0 C-N-CA 122.514 2.143 . . . . 0.0 112.27 174.912 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 72' ' ' VAL . . . . . . . . . . . . . 2.9 p -150.17 162.16 3.98 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 N-CA-C 108.418 -0.956 . . . . 0.0 108.418 -176.061 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -103.27 123.3 46.5 Favored 'General case' 0 C--N 1.321 -0.632 0 CA-C-O 121.187 0.517 . . . . 0.0 111.072 -169.463 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 74' ' ' PHE . . . . . . . . . . . . . 23.8 p90 -133.69 119.34 19.22 Favored 'General case' 0 C--N 1.312 -1.028 0 CA-C-N 115.512 -0.767 . . . . 0.0 109.134 -179.49 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 75' ' ' ARG . . . . . . . . . . . . . 12.7 ptt180 -90.36 108.79 19.99 Favored 'General case' 0 C--N 1.322 -0.605 0 CA-C-O 121.365 0.602 . . . . 0.0 110.781 -177.074 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 76' ' ' LEU . . . . . . . . . . . . . 25.7 mt -80.27 98.42 7.39 Favored 'General case' 0 C--N 1.322 -0.588 0 CA-C-N 115.099 -0.955 . . . . 0.0 109.012 177.002 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 77' ' ' GLN . . . . . 0.419 ' HA ' ' HD3' ' A' ' 78' ' ' PRO . 46.3 mt-30 -84.69 129.45 56.98 Favored Pre-proline 0 C--N 1.318 -0.789 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.497 -175.992 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 78' ' ' PRO . . . . . 0.419 ' HD3' ' HA ' ' A' ' 77' ' ' GLN . 31.9 Cg_exo -59.58 -9.86 10.08 Favored 'Trans proline' 0 C--N 1.347 0.453 0 C-N-CA 123.235 2.623 . . . . 0.0 112.62 179.662 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 79' ' ' GLN . . . . . . . . . . . . . 14.4 mm100 -80.01 -7.28 58.74 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.47 177.459 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . 97.42 25.71 10.72 Favored Glycine 0 N--CA 1.447 -0.568 0 C-N-CA 120.828 -0.701 . . . . 0.0 112.95 176.715 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 81' ' ' GLN . . . . . . . . . . . . . 2.1 mp0 -125.55 130.93 52.69 Favored 'General case' 0 C--N 1.325 -0.468 0 CA-C-N 117.162 0.481 . . . . 0.0 111.118 -179.826 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 82' ' ' ILE . . . . . . . . . . . . . 62.5 mt -106.65 118.44 54.37 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.39 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.169 176.931 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 83' ' ' VAL . . . . . . . . . . . . . 25.2 t -120.4 133.89 65.65 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.417 -0.356 . . . . 0.0 110.352 179.347 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 84' ' ' LEU . . . . . 0.468 HD21 ' N ' ' A' ' 85' ' ' SER . 2.3 tt -107.92 139.11 43.02 Favored 'General case' 0 C--N 1.327 -0.405 0 N-CA-C 109.621 -0.511 . . . . 0.0 109.621 -177.439 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 85' ' ' SER . . . . . 0.468 ' N ' HD21 ' A' ' 84' ' ' LEU . 39.7 m -142.47 155.06 45.03 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.881 0.372 . . . . 0.0 110.007 176.913 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 86' ' ' ARG . . . . . . . . . . . . . 30.6 ttt180 -87.22 96.38 10.31 Favored 'General case' 0 C--N 1.323 -0.562 0 CA-C-O 120.972 0.415 . . . . 0.0 110.867 -177.234 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 87' ' ' LEU . . . . . . . . . . . . . 3.8 mm? -117.99 142.76 31.47 Favored Pre-proline 0 C--N 1.324 -0.516 0 CA-C-N 115.865 -0.607 . . . . 0.0 109.939 176.311 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 88' ' ' PRO . . . . . . . . . . . . . 98.0 Cg_endo -84.41 -161.12 0.13 Allowed 'Trans proline' 0 N--CA 1.461 -0.42 0 C-N-CA 123.136 2.558 . . . . 0.0 112.792 -179.458 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 89' ' ' THR . . . . . . . . . . . . . 26.3 m -56.03 128.13 33.85 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-O 120.988 0.423 . . . . 0.0 111.322 178.94 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 90' ' ' ALA . . . . . . . . . . . . . . . -83.99 159.63 21.19 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-N 116.078 -0.51 . . . . 0.0 110.816 178.756 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 91' ' ' ASN . . . . . . . . . . . . . 3.7 t-20 -62.96 -32.11 73.37 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-O 120.925 0.393 . . . . 0.0 110.928 -177.475 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 92' ' ' GLY . . . . . . . . . . . . . . . -60.98 -23.32 61.4 Favored Glycine 0 CA--C 1.52 0.351 0 CA-C-N 115.902 -0.59 . . . . 0.0 113.106 -179.617 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 33.6 t70 -82.45 -10.38 59.05 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 121.236 0.541 . . . . 0.0 110.594 -179.621 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 94' ' ' GLY . . . . . . . . . . . . . . . 95.31 21.18 25.48 Favored Glycine 0 N--CA 1.45 -0.428 0 C-N-CA 120.791 -0.719 . . . . 0.0 112.412 -179.276 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 95' ' ' GLY . . . . . . . . . . . . . . . -79.66 135.97 16.24 Favored Glycine 0 N--CA 1.448 -0.567 0 C-N-CA 120.875 -0.679 . . . . 0.0 112.131 178.274 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 96' ' ' ALA . . . . . . . . . . . . . . . -85.95 138.23 32.16 Favored 'General case' 0 C--N 1.325 -0.483 0 N-CA-C 110.057 -0.349 . . . . 0.0 110.057 179.489 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 97' ' ' LEU . . . . . . . . . . . . . 88.7 mt 61.25 22.31 12.68 Favored 'General case' 0 N--CA 1.466 0.334 0 O-C-N 123.559 0.537 . . . . 0.0 110.591 -176.219 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 98' ' ' ALA . . . . . . . . . . . . . . . -73.0 -30.16 63.57 Favored 'General case' 0 N--CA 1.45 -0.453 0 CA-C-N 115.541 -0.754 . . . . 0.0 110.672 -177.581 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 99' ' ' LEU . . . . . . . . . . . . . 96.0 mt -62.41 -41.61 98.81 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 116.387 -0.369 . . . . 0.0 110.451 178.76 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 100' ' ' ASP . . . . . . . . . . . . . 6.5 m-20 -65.84 -44.61 84.98 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.421 -0.354 . . . . 0.0 111.31 -179.774 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 10.7 p -74.45 -35.26 63.34 Favored 'General case' 0 C--N 1.326 -0.454 0 CA-C-O 120.729 0.299 . . . . 0.0 111.278 -177.373 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 102' ' ' LEU . . . . . . . . . . . . . 24.7 tp -69.08 -17.71 63.9 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.968 0.414 . . . . 0.0 110.739 179.826 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 103' ' ' THR . . . . . . . . . . . . . 94.6 m -75.69 -16.51 60.16 Favored 'General case' 0 CA--C 1.534 0.359 0 CA-C-O 121.435 0.636 . . . . 0.0 110.636 178.421 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 104' ' ' VAL . . . . . . . . . . . . . 43.0 t -89.2 95.19 5.24 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 CA-C-N 116.248 -0.433 . . . . 0.0 109.95 178.136 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 105' ' ' LEU . . . . . . . . . . . . . 3.9 mm? -69.22 97.86 0.97 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.171 179.386 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 106' ' ' GLY . . . . . . . . . . . . . . . -65.68 109.92 3.18 Favored Glycine 0 N--CA 1.446 -0.689 0 CA-C-N 115.925 -0.58 . . . . 0.0 112.3 -179.857 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 107' ' ' ALA . . . . . . . . . . . . . . . -71.56 145.74 48.88 Favored 'General case' 0 C--N 1.325 -0.488 0 CA-C-O 120.739 0.304 . . . . 0.0 110.305 179.842 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 108' ' ' GLY . . . . . . . . . . . . . . . 92.11 111.75 1.87 Allowed Glycine 0 N--CA 1.445 -0.715 0 C-N-CA 120.821 -0.705 . . . . 0.0 111.704 -177.51 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 109' ' ' GLY . . . . . . . . . . . . . . . -73.8 97.55 0.91 Allowed Glycine 0 N--CA 1.445 -0.719 0 C-N-CA 120.281 -0.962 . . . . 0.0 111.555 179.349 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 110' ' ' ASN . . . . . . . . . . . . . 91.6 m-20 -122.9 79.73 1.68 Allowed 'General case' 0 C--N 1.323 -0.558 0 N-CA-C 110.142 -0.318 . . . . 0.0 110.142 -178.993 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 111' ' ' ASN . . . . . 0.52 ' ND2' ' HB ' ' A' ' 67' ' ' ILE . 40.3 t-20 -63.81 -58.1 7.86 Favored 'General case' 0 C--N 1.324 -0.519 0 CA-C-N 116.058 -0.519 . . . . 0.0 109.722 179.07 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 112' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.251 1.18 0 CA-C-O 118.391 -0.814 . . . . 0.0 110.073 177.831 . . . . . . . . 0 0 . 1 . 020 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 22.1 p . . . . . 0 N--CA 1.479 1.015 0 CA-C-O 120.48 0.181 . . . . 0.0 111.379 . . . . . . . . . 0 0 . 1 . 020 nuclear orig full ' A' A ' 7' ' ' MET . . . . . . . . . . . . . 65.7 mtt 57.3 48.07 15.62 Favored 'General case' 0 N--CA 1.465 0.313 0 CA-C-O 120.849 0.357 . . . . 0.0 110.986 178.46 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -74.8 -53.92 8.26 Favored 'General case' 0 C--N 1.325 -0.484 0 CA-C-N 116.4 -0.364 . . . . 0.0 110.92 -177.313 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 9' ' ' GLN . . . . . . . . . . . . . 50.5 tt0 -73.24 -32.13 64.53 Favored 'General case' 0 C--N 1.326 -0.44 0 CA-C-O 121.332 0.587 . . . . 0.0 109.862 -179.235 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -68.91 -41.16 78.57 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-N 115.505 -0.771 . . . . 0.0 110.729 177.597 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . 54.19 75.42 0.28 Allowed 'General case' 0 C--O 1.234 0.285 0 O-C-N 123.548 0.53 . . . . 0.0 111.172 179.605 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 22.8 tp60 -83.07 110.51 18.07 Favored 'General case' 0 C--N 1.324 -0.524 0 CA-C-N 115.607 -0.724 . . . . 0.0 109.742 -178.751 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 13.4 pt20 -139.4 152.26 46.94 Favored 'General case' 0 C--N 1.322 -0.61 0 CA-C-N 115.871 -0.604 . . . . 0.0 110.362 -178.438 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 31.7 mmmt -109.49 146.39 34.66 Favored 'General case' 0 C--N 1.322 -0.593 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.039 178.404 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 15' ' ' ASN . . . . . . . . . . . . . 58.0 t30 -89.44 105.07 17.55 Favored 'General case' 0 C--N 1.322 -0.609 0 CA-C-N 116.031 -0.531 . . . . 0.0 110.082 -179.655 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 16' ' ' PHE . . . . . . . . . . . . . 87.0 m-85 -99.47 109.5 22.05 Favored 'General case' 0 C--N 1.321 -0.663 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.829 -179.235 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 17' ' ' ASN . . . . . 0.539 ' HA ' ' O ' ' A' ' 53' ' ' LEU . 2.8 t-20 -139.34 91.04 2.46 Favored 'General case' 0 C--N 1.319 -0.753 0 N-CA-C 108.962 -0.755 . . . . 0.0 108.962 172.796 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 18' ' ' ILE . . . . . . . . . . . . . 12.5 mt -124.98 114.19 39.26 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.744 0 CA-C-N 115.535 -0.757 . . . . 0.0 110.375 -173.027 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -61.9 148.53 43.21 Favored 'General case' 0 C--N 1.328 -0.354 0 N-CA-C 109.004 -0.739 . . . . 0.0 109.004 172.696 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -63.17 102.67 0.4 Allowed 'General case' 0 C--N 1.33 -0.255 0 CA-C-O 121.306 0.574 . . . . 0.0 111.411 -172.531 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 21' ' ' GLN . . . . . . . . . . . . . 76.0 mt-30 -107.37 167.93 8.71 Favored Pre-proline 0 C--N 1.32 -0.69 0 CA-C-N 115.218 -0.901 . . . . 0.0 109.942 173.663 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 22' ' ' PRO . . . . . . . . . . . . . 52.1 Cg_exo -57.15 141.6 94.37 Favored 'Trans proline' 0 N--CA 1.461 -0.395 0 C-N-CA 121.92 1.746 . . . . 0.0 109.978 166.373 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 23' ' ' LEU . . . . . 0.457 HD21 ' HA ' ' A' ' 67' ' ' ILE . 8.6 mt -58.33 -26.18 62.79 Favored 'General case' 0 C--N 1.326 -0.439 0 N-CA-C 113.605 0.965 . . . . 0.0 113.605 -168.923 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 22.2 mp0 -65.66 -54.33 29.05 Favored 'General case' 0 C--N 1.326 -0.452 0 CA-C-O 120.923 0.392 . . . . 0.0 110.017 175.462 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 25' ' ' SER . . . . . 0.661 ' O ' ' HG2' ' A' ' 29' ' ' ARG . 43.6 t -65.77 -35.8 81.74 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 115.946 -0.57 . . . . 0.0 110.62 179.117 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -53.57 -52.38 59.92 Favored 'General case' 0 C--O 1.232 0.179 0 CA-C-O 120.978 0.418 . . . . 0.0 111.642 -178.235 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 27' ' ' MET . . . . . 0.576 ' SD ' HG12 ' A' ' 38' ' ' VAL . 40.7 mtt -76.86 -31.66 56.97 Favored 'General case' 0 C--O 1.215 -0.734 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.241 -179.48 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 28' ' ' LEU . . . . . 0.421 ' C ' HD21 ' A' ' 28' ' ' LEU . 8.3 tt -56.71 -32.29 65.35 Favored 'General case' 0 C--N 1.322 -0.622 0 N-CA-C 109.667 -0.494 . . . . 0.0 109.667 175.455 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 29' ' ' ARG . . . . . 0.661 ' HG2' ' O ' ' A' ' 25' ' ' SER . 20.9 mmt180 -67.91 -60.24 2.66 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 116.432 -0.349 . . . . 0.0 110.886 176.405 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 20.6 t80 -74.27 -56.01 5.37 Favored 'General case' 0 C--N 1.325 -0.476 0 N-CA-C 112.115 0.413 . . . . 0.0 112.115 -176.674 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -59.24 -37.29 77.18 Favored 'General case' 0 C--N 1.322 -0.611 0 CA-C-N 115.815 -0.629 . . . . 0.0 112.458 -169.546 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 32' ' ' GLU . . . . . 0.406 ' HG3' ' O ' ' A' ' 28' ' ' LEU . 21.1 mt-10 -60.47 -33.81 73.12 Favored 'General case' 0 N--CA 1.466 0.355 0 C-N-CA 120.037 -0.665 . . . . 0.0 111.707 -178.528 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 33' ' ' GLN . . . . . . . . . . . . . 1.3 mp0 -81.49 -8.94 59.79 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 120.938 0.399 . . . . 0.0 110.918 177.666 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -108.15 8.0 27.83 Favored 'General case' 0 C--N 1.324 -0.528 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.878 179.052 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 76.47 30.15 57.02 Favored Glycine 0 N--CA 1.452 -0.237 0 C-N-CA 121.103 -0.57 . . . . 0.0 112.751 178.573 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 36' ' ' MET . . . . . 0.52 ' HA ' ' O ' ' A' ' 80' ' ' GLY . 74.4 mtm -134.26 174.16 10.82 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-O 120.799 0.333 . . . . 0.0 110.91 -179.162 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 37' ' ' GLN . . . . . . . . . . . . . 55.3 tt0 -160.26 163.07 33.74 Favored 'General case' 0 C--N 1.325 -0.49 0 N-CA-C 108.773 -0.825 . . . . 0.0 108.773 -179.572 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 38' ' ' VAL . . . . . 0.576 HG12 ' SD ' ' A' ' 27' ' ' MET . 34.4 m -75.14 147.54 8.28 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.436 0 CA-C-O 120.836 0.351 . . . . 0.0 111.091 -175.516 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 39' ' ' PHE . . . . . . . . . . . . . 65.1 t80 -142.24 121.54 13.1 Favored 'General case' 0 C--N 1.324 -0.52 0 CA-C-O 121.223 0.535 . . . . 0.0 110.929 175.336 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 40' ' ' PHE . . . . . . . . . . . . . 44.0 p90 -161.63 143.87 11.75 Favored 'General case' 0 C--N 1.321 -0.632 0 CA-C-N 115.307 -0.86 . . . . 0.0 109.165 175.212 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 26.0 t70 -123.36 -56.28 1.72 Allowed 'General case' 0 C--N 1.321 -0.66 0 CA-C-O 120.986 0.422 . . . . 0.0 109.985 179.563 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 43.9 mt-10 -128.38 89.15 2.86 Favored 'General case' 0 C--N 1.322 -0.603 0 CA-C-N 115.88 -0.6 . . . . 0.0 110.239 176.035 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 43' ' ' VAL . . . . . . . . . . . . . 27.0 m -130.7 -162.12 0.32 Allowed 'Isoleucine or valine' 0 C--N 1.321 -0.637 0 CA-C-N 115.598 -0.728 . . . . 0.0 109.67 -179.54 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 37.9 ttpt -50.56 142.2 11.19 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-O 120.868 0.366 . . . . 0.0 110.812 176.254 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 53.1 tp -48.29 131.83 16.46 Favored 'General case' 0 C--O 1.234 0.28 0 CA-C-N 115.403 -0.817 . . . . 0.0 111.369 179.907 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 17.0 t70 -56.29 149.63 16.06 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 115.647 -0.706 . . . . 0.0 110.809 179.058 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 120.24 13.64 5.78 Favored Glycine 0 N--CA 1.444 -0.811 0 N-CA-C 110.274 -1.13 . . . . 0.0 110.274 -169.162 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 48' ' ' MET . . . . . 0.433 ' HG3' ' HB2' ' A' ' 23' ' ' LEU . 16.9 ptt? -86.85 137.07 32.71 Favored 'General case' 0 N--CA 1.449 -0.496 0 CA-C-N 115.026 -0.587 . . . . 0.0 110.287 -177.902 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 26.7 pt20 -138.05 151.31 47.74 Favored 'General case' 0 C--N 1.32 -0.683 0 CA-C-N 116.112 -0.495 . . . . 0.0 110.507 -174.582 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -87.49 -176.5 5.62 Favored 'General case' 0 C--N 1.321 -0.649 0 CA-C-N 115.578 -0.737 . . . . 0.0 110.442 -178.757 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -111.44 168.36 9.6 Favored 'General case' 0 C--N 1.322 -0.616 0 N-CA-C 109.777 -0.453 . . . . 0.0 109.777 176.786 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -65.05 95.74 0.18 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 121.104 0.478 . . . . 0.0 110.099 176.954 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 53' ' ' LEU . . . . . 0.539 ' O ' ' HA ' ' A' ' 17' ' ' ASN . 57.2 tp -88.24 126.56 35.22 Favored 'General case' 0 C--N 1.32 -0.675 0 CA-C-N 115.573 -0.739 . . . . 0.0 111.194 -174.113 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 54' ' ' ASN . . . . . . . . . . . . . 22.5 t-20 -145.76 101.21 3.52 Favored 'General case' 0 C--N 1.323 -0.565 0 CA-C-N 116.217 -0.447 . . . . 0.0 109.825 176.44 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . -172.03 152.3 16.88 Favored Glycine 0 N--CA 1.447 -0.591 0 C-N-CA 120.405 -0.902 . . . . 0.0 112.757 -179.039 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 15.4 m -106.49 109.8 21.83 Favored 'General case' 0 C--N 1.322 -0.619 0 N-CA-C 109.369 -0.604 . . . . 0.0 109.369 177.362 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 57' ' ' MET . . . . . 0.431 ' HE3' ' HA2' ' A' ' 62' ' ' GLY . 11.1 ptt? -163.13 -178.58 6.1 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-N 116.63 -0.259 . . . . 0.0 111.271 -170.358 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 42.7 m -86.27 172.31 10.57 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-N 116.368 -0.378 . . . . 0.0 111.125 -179.452 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 59' ' ' VAL . . . . . . . . . . . . . 23.9 t -58.0 -47.17 87.36 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.282 0 CA-C-O 120.543 0.211 . . . . 0.0 110.908 -179.446 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 60' ' ' GLU . . . . . 0.56 ' O ' ' HG3' ' A' ' 64' ' ' ARG . 24.8 mt-10 -51.83 -55.74 18.16 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 115.966 -0.561 . . . . 0.0 111.179 178.843 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 61' ' ' GLN . . . . . . . . . . . . . 39.9 mt-30 -64.59 -43.2 94.58 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-N 115.879 -0.6 . . . . 0.0 110.923 -179.104 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 62' ' ' GLY . . . . . 0.431 ' HA2' ' HE3' ' A' ' 57' ' ' MET . . . -57.33 -53.57 43.79 Favored Glycine 0 N--CA 1.446 -0.646 0 CA-C-N 115.649 -0.705 . . . . 0.0 113.119 -176.408 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 63' ' ' LEU . . . . . 0.443 HD12 HD13 ' A' ' 67' ' ' ILE . 4.6 mm? -62.25 -27.26 68.88 Favored 'General case' 0 C--N 1.325 -0.467 0 N-CA-C 111.879 0.325 . . . . 0.0 111.879 -176.627 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 64' ' ' ARG . . . . . 0.56 ' HG3' ' O ' ' A' ' 60' ' ' GLU . 20.7 mtp180 -61.15 -60.03 4.4 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-O 120.686 0.279 . . . . 0.0 110.979 -178.942 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 65' ' ' ARG . . . . . . . . . . . . . 11.4 ttp180 -74.6 -23.51 58.74 Favored 'General case' 0 C--N 1.324 -0.524 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.777 -179.485 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 66' ' ' LEU . . . . . 0.421 ' HB2' ' O ' ' A' ' 62' ' ' GLY . 6.2 tt -66.76 -54.67 20.38 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 115.978 -0.555 . . . . 0.0 110.725 179.526 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 67' ' ' ILE . . . . . 0.494 HD12 HD22 ' A' ' 111' ' ' ASN . 67.2 mt -81.36 -65.28 0.84 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 N-CA-C 112.845 0.683 . . . . 0.0 112.845 -168.981 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 68' ' ' GLY . . . . . 0.4 ' C ' ' H ' ' A' ' 70' ' ' ASN . . . -114.98 -62.01 0.38 Allowed Glycine 0 N--CA 1.443 -0.856 0 C-N-CA 119.408 -1.377 . . . . 0.0 114.411 -171.131 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . 86.94 -22.3 15.16 Favored Glycine 0 N--CA 1.447 -0.574 0 N-CA-C 110.038 -1.225 . . . . 0.0 110.038 -165.286 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 70' ' ' ASN . . . . . 0.4 ' H ' ' C ' ' A' ' 68' ' ' GLY . 8.9 p30 -102.63 164.35 15.81 Favored Pre-proline 0 C--N 1.328 -0.351 0 N-CA-C 109.082 -0.711 . . . . 0.0 109.082 173.1 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 71' ' ' PRO . . . . . . . . . . . . . 50.4 Cg_exo -55.92 99.6 0.07 OUTLIER 'Trans proline' 0 C--N 1.348 0.53 0 C-N-CA 122.723 2.282 . . . . 0.0 113.487 -179.65 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 72' ' ' VAL . . . . . . . . . . . . . 21.4 t -135.91 159.59 39.28 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 N-CA-C 107.343 -1.355 . . . . 0.0 107.343 174.214 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -115.56 121.13 41.69 Favored 'General case' 0 C--N 1.319 -0.741 0 CA-C-N 118.221 0.464 . . . . 0.0 111.576 -179.479 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 74' ' ' PHE . . . . . . . . . . . . . 10.7 p90 -109.45 126.88 53.95 Favored 'General case' 0 C--N 1.328 -0.359 0 N-CA-C 109.422 -0.585 . . . . 0.0 109.422 172.984 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 75' ' ' ARG . . . . . . . . . . . . . 14.5 mmm180 -117.52 116.83 27.89 Favored 'General case' 0 C--N 1.318 -0.786 0 CA-C-N 116.068 -0.515 . . . . 0.0 110.14 -179.418 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 76' ' ' LEU . . . . . . . . . . . . . 35.1 mt -88.86 98.42 11.72 Favored 'General case' 0 C--N 1.319 -0.759 0 CA-C-N 115.613 -0.721 . . . . 0.0 109.235 -179.708 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 77' ' ' GLN . . . . . 0.406 ' CD ' ' HB2' ' A' ' 81' ' ' GLN . 2.3 pt20 -80.61 139.54 51.07 Favored Pre-proline 0 C--N 1.32 -0.691 0 C-N-CA 120.88 -0.328 . . . . 0.0 110.195 -175.422 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 78' ' ' PRO . . . . . . . . . . . . . 52.4 Cg_exo -54.58 -20.6 21.69 Favored 'Trans proline' 0 C--N 1.348 0.522 0 C-N-CA 123.501 2.801 . . . . 0.0 113.547 -179.097 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 79' ' ' GLN . . . . . . . . . . . . . 27.6 mm-40 -80.23 0.92 30.5 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 120.881 0.372 . . . . 0.0 111.332 177.935 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 80' ' ' GLY . . . . . 0.52 ' O ' ' HA ' ' A' ' 36' ' ' MET . . . 87.95 44.2 5.47 Favored Glycine 0 N--CA 1.446 -0.677 0 C-N-CA 121.015 -0.612 . . . . 0.0 113.726 172.407 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 81' ' ' GLN . . . . . 0.406 ' HB2' ' CD ' ' A' ' 77' ' ' GLN . 79.9 mt-30 -138.08 145.31 41.56 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-N 117.47 0.635 . . . . 0.0 110.573 176.215 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 82' ' ' ILE . . . . . . . . . . . . . 48.0 mt -99.15 104.89 16.6 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.568 0 CA-C-N 115.916 -0.584 . . . . 0.0 109.443 177.453 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 83' ' ' VAL . . . . . . . . . . . . . 21.6 t -93.35 131.42 40.39 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.513 0 CA-C-N 115.978 -0.556 . . . . 0.0 110.213 -177.891 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 84' ' ' LEU . . . . . . . . . . . . . 8.8 mp -111.91 146.44 37.77 Favored 'General case' 0 C--N 1.325 -0.493 0 CA-C-O 121.178 0.513 . . . . 0.0 111.573 -179.153 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 85' ' ' SER . . . . . . . . . . . . . 23.1 m -149.53 146.91 27.62 Favored 'General case' 0 C--N 1.323 -0.566 0 CA-C-N 115.372 -0.831 . . . . 0.0 109.439 175.813 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 86' ' ' ARG . . . . . . . . . . . . . 4.0 tmt_? -85.78 93.16 8.81 Favored 'General case' 0 C--N 1.324 -0.518 0 N-CA-C 109.222 -0.659 . . . . 0.0 109.222 -179.486 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 87' ' ' LEU . . . . . . . . . . . . . 62.4 mt -130.78 138.51 33.18 Favored Pre-proline 0 C--N 1.321 -0.638 0 CA-C-N 115.76 -0.655 . . . . 0.0 109.665 -177.304 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 88' ' ' PRO . . . . . . . . . . . . . 37.4 Cg_endo -67.75 166.67 23.51 Favored 'Trans proline' 0 CA--C 1.531 0.354 0 C-N-CA 122.729 2.286 . . . . 0.0 112.734 -179.217 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 89' ' ' THR . . . . . . . . . . . . . 21.1 m -62.9 123.29 18.11 Favored 'General case' 0 C--O 1.236 0.363 0 CA-C-N 115.789 -0.641 . . . . 0.0 111.297 -178.603 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 90' ' ' ALA . . . . . . . . . . . . . . . -79.63 173.24 12.79 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.063 -0.517 . . . . 0.0 111.201 -179.519 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 91' ' ' ASN . . . . . . . . . . . . . 28.5 t-20 -58.21 -30.09 66.2 Favored 'General case' 0 C--N 1.326 -0.418 0 N-CA-C 112.39 0.515 . . . . 0.0 112.39 -174.154 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 92' ' ' GLY . . . . . . . . . . . . . . . -53.28 -37.33 54.86 Favored Glycine 0 CA--C 1.521 0.459 0 N-CA-C 114.049 0.38 . . . . 0.0 114.049 -177.272 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 93' ' ' ASP . . . . . 0.402 ' CG ' HH22 ' A' ' 64' ' ' ARG . 9.3 m-20 -102.01 18.8 19.79 Favored 'General case' 0 C--N 1.326 -0.413 0 CA-C-N 116.901 0.351 . . . . 0.0 111.154 179.595 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 94' ' ' GLY . . . . . . . . . . . . . . . 89.28 25.76 27.68 Favored Glycine 0 N--CA 1.446 -0.678 0 C-N-CA 120.508 -0.853 . . . . 0.0 112.122 -179.133 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 95' ' ' GLY . . . . . . . . . . . . . . . -96.78 -150.48 26.89 Favored Glycine 0 N--CA 1.448 -0.555 0 C-N-CA 120.786 -0.721 . . . . 0.0 111.948 177.57 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 96' ' ' ALA . . . . . . . . . . . . . . . -91.24 129.32 37.25 Favored 'General case' 0 C--N 1.322 -0.607 0 CA-C-O 120.907 0.384 . . . . 0.0 111.608 -175.834 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 97' ' ' LEU . . . . . . . . . . . . . 4.3 pp -87.35 -18.17 30.7 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 116.083 -0.508 . . . . 0.0 109.891 175.459 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 98' ' ' ALA . . . . . . . . . . . . . . . -75.18 0.87 14.89 Favored 'General case' 0 C--N 1.326 -0.455 0 CA-C-O 121.393 0.616 . . . . 0.0 110.257 176.662 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 99' ' ' LEU . . . . . 0.697 ' O ' ' HG ' ' A' ' 102' ' ' LEU . 7.2 mp -129.35 29.95 5.04 Favored 'General case' 0 N--CA 1.45 -0.431 0 CA-C-N 115.345 -0.843 . . . . 0.0 110.096 175.313 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 100' ' ' ASP . . . . . . . . . . . . . 3.1 p-10 -61.91 -11.07 11.24 Favored 'General case' 0 N--CA 1.471 0.594 0 CA-C-O 120.796 0.331 . . . . 0.0 111.575 179.447 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 10.4 m -68.49 -9.32 48.16 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.661 179.961 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 102' ' ' LEU . . . . . 0.697 ' HG ' ' O ' ' A' ' 99' ' ' LEU . 64.9 mt -60.32 -62.51 1.81 Allowed 'General case' 0 C--N 1.333 -0.111 0 CA-C-O 121.158 0.504 . . . . 0.0 110.26 178.158 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 103' ' ' THR . . . . . . . . . . . . . 27.6 m -131.44 -62.24 0.88 Allowed 'General case' 0 C--N 1.321 -0.665 0 CA-C-N 115.929 -0.578 . . . . 0.0 109.763 174.335 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 104' ' ' VAL . . . . . . . . . . . . . 2.5 m -155.41 179.63 0.27 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 CA-C-N 115.024 -0.989 . . . . 0.0 109.501 -179.736 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 105' ' ' LEU . . . . . . . . . . . . . 55.9 tp -65.78 -47.46 75.08 Favored 'General case' 0 C--N 1.324 -0.522 0 CA-C-O 121.203 0.525 . . . . 0.0 109.997 176.571 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 106' ' ' GLY . . . . . . . . . . . . . . . -80.72 -160.75 24.16 Favored Glycine 0 N--CA 1.447 -0.616 0 CA-C-N 115.546 -0.752 . . . . 0.0 112.189 178.557 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 107' ' ' ALA . . . . . . . . . . . . . . . -86.63 108.47 18.63 Favored 'General case' 0 C--N 1.32 -0.709 0 CA-C-O 120.967 0.413 . . . . 0.0 110.652 -179.624 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 108' ' ' GLY . . . . . . . . . . . . . . . -111.08 -65.08 0.52 Allowed Glycine 0 N--CA 1.448 -0.556 0 N-CA-C 111.267 -0.733 . . . . 0.0 111.267 177.691 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 109' ' ' GLY . . . . . . . . . . . . . . . -117.93 98.94 0.78 Allowed Glycine 0 N--CA 1.442 -0.918 0 N-CA-C 111.134 -0.786 . . . . 0.0 111.134 174.248 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 110' ' ' ASN . . . . . 0.44 ' O ' ' HG2' ' A' ' 64' ' ' ARG . 44.5 t30 -151.75 109.38 3.63 Favored 'General case' 0 C--N 1.324 -0.527 0 N-CA-C 110.053 -0.351 . . . . 0.0 110.053 179.931 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 111' ' ' ASN . . . . . 0.503 ' HA ' ' HA ' ' A' ' 64' ' ' ARG . 18.6 m120 -91.38 45.51 1.24 Allowed 'General case' 0 C--N 1.321 -0.661 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.392 -178.462 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 112' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.248 1.023 0 CA-C-O 119.108 -0.472 . . . . 0.0 109.989 177.821 . . . . . . . . 0 0 . 1 . 001 nuclear build core ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 61.0 tt0 . . . . . 0 C--O 1.233 0.208 0 CA-C-O 120.639 0.257 . . . . 0.0 110.548 . . . . . . . . . 0 0 . 1 . 001 nuclear build core ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 77.2 mt-30 -81.43 118.0 22.33 Favored 'General case' 0 C--N 1.324 -0.527 0 CA-C-N 116.395 -0.366 . . . . 0.0 110.077 178.016 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 14' ' ' LYS . . . . . 0.457 ' O ' ' HA ' ' A' ' 56' ' ' SER . 14.1 mmmm -109.63 132.73 53.87 Favored 'General case' 0 C--N 1.321 -0.632 0 N-CA-C 109.498 -0.556 . . . . 0.0 109.498 177.166 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 15' ' ' ASN . . . . . 0.426 ' HA ' ' HA ' ' A' ' 56' ' ' SER . 26.4 t-20 -80.35 108.51 14.03 Favored 'General case' 0 C--N 1.319 -0.731 0 CA-C-O 121.061 0.458 . . . . 0.0 110.111 -179.615 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 16' ' ' PHE . . . . . . . . . . . . . 76.9 m-85 -99.7 146.5 26.45 Favored 'General case' 0 C--N 1.322 -0.591 0 CA-C-N 115.785 -0.643 . . . . 0.0 111.064 -177.939 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 8.1 t30 -135.28 89.07 2.47 Favored 'General case' 0 C--N 1.32 -0.716 0 N-CA-C 108.511 -0.922 . . . . 0.0 108.511 178.137 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 18' ' ' ILE . . . . . 0.56 ' HB ' ' HB3' ' A' ' 53' ' ' LEU . 31.2 mm -112.06 106.44 20.77 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.753 0 CA-C-N 115.938 -0.574 . . . . 0.0 109.96 -176.147 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -63.07 143.63 57.61 Favored 'General case' 0 C--N 1.325 -0.481 0 N-CA-C 108.791 -0.818 . . . . 0.0 108.791 173.12 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -66.38 100.08 0.61 Allowed 'General case' 0 N--CA 1.455 -0.22 0 CA-C-O 121.696 0.76 . . . . 0.0 110.443 -174.624 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 21' ' ' GLN . . . . . . . . . . . . . 44.2 mt-30 -107.7 170.11 5.94 Favored Pre-proline 0 C--N 1.318 -0.771 0 CA-C-N 114.579 -1.191 . . . . 0.0 109.981 176.349 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 22' ' ' PRO . . . . . . . . . . . . . 52.7 Cg_exo -56.98 135.71 72.42 Favored 'Trans proline' 0 N--CA 1.461 -0.388 0 C-N-CA 121.839 1.693 . . . . 0.0 109.44 166.006 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -55.59 -25.71 39.91 Favored 'General case' 0 N--CA 1.466 0.329 0 O-C-N 123.429 0.456 . . . . 0.0 112.039 -170.108 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 66.7 mt-30 -66.12 -52.54 47.6 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-O 121.02 0.438 . . . . 0.0 110.269 177.052 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 15.1 m -76.43 -27.29 56.17 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 115.989 -0.55 . . . . 0.0 110.742 -179.004 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -56.54 -55.06 38.58 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.01 -0.541 . . . . 0.0 110.941 178.461 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 27' ' ' MET . . . . . 0.45 ' CB ' ' HB ' ' A' ' 38' ' ' VAL . 23.5 mmt -75.6 -18.94 59.56 Favored 'General case' 0 C--N 1.325 -0.499 0 CA-C-N 115.986 -0.552 . . . . 0.0 110.796 -178.719 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 9.4 tt -65.16 -36.77 85.28 Favored 'General case' 0 C--N 1.318 -0.787 0 N-CA-C 109.276 -0.639 . . . . 0.0 109.276 173.674 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 12.4 mmm180 -85.42 -31.23 22.99 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.566 -179.569 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 12.2 t80 -80.64 -56.83 3.89 Favored 'General case' 0 C--N 1.322 -0.589 0 CA-C-O 121.378 0.608 . . . . 0.0 111.365 178.079 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -72.09 -17.22 62.01 Favored 'General case' 0 C--N 1.321 -0.639 0 CA-C-N 115.902 -0.59 . . . . 0.0 111.872 -170.158 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 10.0 pt-20 -59.95 -28.32 67.54 Favored 'General case' 0 N--CA 1.464 0.256 0 CA-C-O 121.052 0.453 . . . . 0.0 110.499 174.163 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 33' ' ' GLN . . . . . . . . . . . . . 94.9 mt-30 -90.19 -17.94 26.65 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 121.084 0.468 . . . . 0.0 110.514 178.288 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -97.93 -6.81 31.43 Favored 'General case' 0 C--N 1.326 -0.45 0 CA-C-N 115.797 -0.638 . . . . 0.0 111.775 -178.528 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 79.61 31.59 40.28 Favored Glycine 0 C--N 1.329 0.155 0 C-N-CA 121.07 -0.586 . . . . 0.0 112.674 178.215 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 36' ' ' MET . . . . . . . . . . . . . 70.9 mtm -141.82 175.68 9.52 Favored 'General case' 0 C--N 1.324 -0.508 0 CA-C-O 120.738 0.304 . . . . 0.0 110.332 -177.266 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 37' ' ' GLN . . . . . . . . . . . . . 26.2 tt0 -141.73 154.76 45.5 Favored 'General case' 0 C--N 1.323 -0.567 0 N-CA-C 108.893 -0.78 . . . . 0.0 108.893 171.305 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 38' ' ' VAL . . . . . 0.45 ' HB ' ' CB ' ' A' ' 27' ' ' MET . 7.7 p -78.46 132.18 32.9 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.434 0 CA-C-O 120.978 0.418 . . . . 0.0 110.777 179.973 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 39' ' ' PHE . . . . . 0.412 ' HB3' ' HA ' ' A' ' 83' ' ' VAL . 59.2 t80 -110.16 120.24 41.81 Favored 'General case' 0 C--N 1.325 -0.487 0 CA-C-N 115.934 -0.575 . . . . 0.0 109.74 179.264 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 40' ' ' PHE . . . . . . . . . . . . . 19.1 p90 -134.27 117.81 16.86 Favored 'General case' 0 C--N 1.32 -0.681 0 CA-C-N 115.81 -0.632 . . . . 0.0 110.202 -178.551 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 32.9 t70 -121.42 -61.23 1.55 Allowed 'General case' 0 C--N 1.323 -0.57 0 C-N-CA 120.839 -0.345 . . . . 0.0 110.666 179.767 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 50.9 mt-10 -116.22 86.78 2.55 Favored 'General case' 0 C--N 1.322 -0.609 0 CA-C-O 121.212 0.53 . . . . 0.0 110.127 177.421 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 43' ' ' VAL . . . . . . . . . . . . . 15.5 m -147.33 -166.8 0.16 Allowed 'Isoleucine or valine' 0 C--N 1.322 -0.63 0 CA-C-N 115.053 -0.976 . . . . 0.0 108.722 179.235 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 37.7 ttpt -67.24 133.33 49.52 Favored 'General case' 0 C--N 1.322 -0.616 0 CA-C-O 121.501 0.667 . . . . 0.0 110.097 174.705 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 3.3 mm? -71.37 167.47 19.47 Favored 'General case' 0 N--CA 1.442 -0.854 0 CA-C-N 114.796 -1.093 . . . . 0.0 111.065 -175.495 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 26.6 t70 -36.16 136.63 0.29 Allowed 'General case' 0 C--N 1.32 -0.709 0 CA-C-N 114.214 -1.357 . . . . 0.0 112.425 -177.663 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 123.33 -4.51 9.51 Favored Glycine 0 N--CA 1.444 -0.818 0 N-CA-C 110.753 -0.939 . . . . 0.0 110.753 -173.281 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 48' ' ' MET . . . . . . . . . . . . . 14.2 tpt -87.63 121.33 29.93 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-O 120.861 0.362 . . . . 0.0 110.366 178.395 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 76.9 mt-30 -112.58 155.36 24.5 Favored 'General case' 0 C--N 1.321 -0.664 0 CA-C-N 116.077 -0.51 . . . . 0.0 110.275 179.257 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -88.11 168.73 12.54 Favored 'General case' 0 C--N 1.321 -0.641 0 CA-C-N 116.034 -0.53 . . . . 0.0 109.975 178.438 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -79.49 156.83 27.64 Favored 'General case' 0 C--N 1.323 -0.568 0 CA-C-N 116.457 -0.338 . . . . 0.0 110.705 -179.854 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -69.52 89.42 0.52 Allowed 'General case' 0 C--N 1.328 -0.334 0 CA-C-O 121.282 0.563 . . . . 0.0 109.7 175.814 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 53' ' ' LEU . . . . . 0.56 ' HB3' ' HB ' ' A' ' 18' ' ' ILE . 1.0 OUTLIER -76.42 123.69 26.38 Favored 'General case' 0 C--N 1.32 -0.707 0 CA-C-N 115.181 -0.918 . . . . 0.0 110.993 -172.075 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 54' ' ' ASN . . . . . 0.407 HD22 ' HA ' ' A' ' 54' ' ' ASN . 0.9 OUTLIER -150.71 98.42 2.62 Favored 'General case' 0 C--N 1.324 -0.527 0 CA-C-N 115.858 -0.61 . . . . 0.0 109.881 172.668 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . 178.56 161.21 26.02 Favored Glycine 0 N--CA 1.448 -0.534 0 C-N-CA 120.434 -0.889 . . . . 0.0 112.618 -179.069 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 56' ' ' SER . . . . . 0.457 ' HA ' ' O ' ' A' ' 14' ' ' LYS . 38.8 m -94.07 100.81 12.86 Favored 'General case' 0 C--N 1.325 -0.489 0 CA-C-O 121.103 0.478 . . . . 0.0 110.194 176.762 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 57' ' ' MET . . . . . . . . . . . . . 54.6 mtm -134.07 170.9 14.96 Favored 'General case' 0 C--N 1.325 -0.476 0 CA-C-N 115.691 -0.686 . . . . 0.0 111.247 -177.042 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 15.0 m -102.0 -179.55 4.03 Favored 'General case' 0 C--N 1.322 -0.617 0 CA-C-N 115.644 -0.707 . . . . 0.0 109.127 173.291 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 59' ' ' VAL . . . . . 0.597 ' O ' HD23 ' A' ' 63' ' ' LEU . 12.1 p -54.99 -48.16 75.97 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.258 0 CA-C-O 120.777 0.322 . . . . 0.0 111.554 -177.043 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 60' ' ' GLU . . . . . 0.45 ' O ' ' HG3' ' A' ' 64' ' ' ARG . 44.5 mt-10 -62.97 -53.47 53.51 Favored 'General case' 0 C--N 1.316 -0.857 0 CA-C-O 120.835 0.35 . . . . 0.0 111.342 -179.551 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 61' ' ' GLN . . . . . . . . . . . . . 58.8 mt-30 -63.56 -50.2 70.42 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-N 116.051 -0.522 . . . . 0.0 111.576 -176.877 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . -57.23 -51.25 58.65 Favored Glycine 0 N--CA 1.449 -0.446 0 CA-C-N 115.975 -0.557 . . . . 0.0 112.856 -178.365 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 63' ' ' LEU . . . . . 0.597 HD23 ' O ' ' A' ' 59' ' ' VAL . 4.0 mm? -54.67 -43.55 72.53 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-O 120.564 0.221 . . . . 0.0 111.475 -178.725 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 64' ' ' ARG . . . . . 0.45 ' HG3' ' O ' ' A' ' 60' ' ' GLU . 19.9 mtp180 -55.77 -46.85 77.82 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 115.979 -0.555 . . . . 0.0 111.731 -176.971 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 65' ' ' ARG . . . . . . . . . . . . . 76.5 ttt180 -80.8 -28.38 36.29 Favored 'General case' 0 C--N 1.324 -0.525 0 CA-C-O 121.129 0.49 . . . . 0.0 110.596 179.878 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 66' ' ' LEU . . . . . 0.469 HD13 ' HB2' ' A' ' 53' ' ' LEU . 18.1 tp -74.68 -45.64 43.17 Favored 'General case' 0 C--N 1.325 -0.457 0 CA-C-N 115.817 -0.628 . . . . 0.0 111.789 -174.434 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 67' ' ' ILE . . . . . 0.472 HD11 HD12 ' A' ' 63' ' ' LEU . 40.1 mt -78.83 -64.94 0.82 Allowed 'Isoleucine or valine' 0 C--N 1.333 -0.152 0 N-CA-C 112.313 0.486 . . . . 0.0 112.313 -175.128 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 68' ' ' GLY . . . . . 0.448 ' C ' ' H ' ' A' ' 70' ' ' ASN . . . -115.4 -62.29 0.37 Allowed Glycine 0 N--CA 1.444 -0.795 0 C-N-CA 119.421 -1.371 . . . . 0.0 114.548 -171.638 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . 82.91 -23.02 6.15 Favored Glycine 0 N--CA 1.45 -0.37 0 N-CA-C 109.836 -1.305 . . . . 0.0 109.836 -163.226 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 70' ' ' ASN . . . . . 0.448 ' H ' ' C ' ' A' ' 68' ' ' GLY . 2.6 p-10 -102.43 157.73 33.15 Favored Pre-proline 0 C--N 1.328 -0.369 0 C-N-CA 123.732 0.813 . . . . 0.0 109.2 171.57 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 71' ' ' PRO . . . . . . . . . . . . . 23.4 Cg_exo -64.35 98.15 0.27 Allowed 'Trans proline' 0 C--N 1.346 0.424 0 C-N-CA 122.814 2.343 . . . . 0.0 113.724 -174.038 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 72' ' ' VAL . . . . . . . . . . . . . 31.9 t -140.4 149.65 21.5 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 N-CA-C 106.928 -1.508 . . . . 0.0 106.928 171.251 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -104.86 130.69 52.94 Favored 'General case' 0 C--N 1.321 -0.637 0 CA-C-N 118.698 0.681 . . . . 0.0 111.98 -170.497 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 74' ' ' PHE . . . . . . . . . . . . . 11.7 p90 -113.92 126.17 54.86 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.159 -0.473 . . . . 0.0 109.993 176.528 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 75' ' ' ARG . . . . . . . . . . . . . 79.8 ttt180 -100.45 119.26 38.2 Favored 'General case' 0 C--N 1.322 -0.594 0 CA-C-N 116.311 -0.404 . . . . 0.0 110.239 178.615 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 76' ' ' LEU . . . . . . . . . . . . . 84.3 mt -87.78 118.78 27.53 Favored 'General case' 0 C--N 1.322 -0.601 0 CA-C-N 116.012 -0.54 . . . . 0.0 111.161 -177.885 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 77' ' ' GLN . . . . . . . . . . . . . 38.9 mt-30 -116.43 98.67 51.91 Favored Pre-proline 0 C--N 1.318 -0.777 0 N-CA-C 108.451 -0.944 . . . . 0.0 108.451 172.041 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 78' ' ' PRO . . . . . . . . . . . . . 54.5 Cg_exo -52.29 -33.26 54.69 Favored 'Trans proline' 0 C--N 1.345 0.367 0 C-N-CA 123.327 2.685 . . . . 0.0 113.376 -174.07 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 79' ' ' GLN . . . . . . . . . . . . . 45.2 mt-30 -106.2 12.9 29.6 Favored 'General case' 0 C--N 1.324 -0.526 0 CA-C-N 116.541 -0.3 . . . . 0.0 110.846 -177.713 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . -140.08 -110.57 0.88 Allowed Glycine 0 N--CA 1.442 -0.915 0 C-N-CA 120.288 -0.958 . . . . 0.0 113.076 -178.126 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 81' ' ' GLN . . . . . . . . . . . . . 48.7 mt-30 -138.9 158.63 43.85 Favored 'General case' 0 C--N 1.322 -0.627 0 CA-C-O 121.226 0.536 . . . . 0.0 111.463 -172.493 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 82' ' ' ILE . . . . . . . . . . . . . 54.8 mt -90.12 99.91 10.18 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.562 0 CA-C-N 115.432 -0.803 . . . . 0.0 109.174 175.992 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 83' ' ' VAL . . . . . 0.412 ' HA ' ' HB3' ' A' ' 39' ' ' PHE . 93.4 t -85.06 116.63 28.86 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.605 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.738 -176.855 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 84' ' ' LEU . . . . . . . . . . . . . 21.4 tp -89.6 130.02 35.97 Favored 'General case' 0 C--N 1.323 -0.55 0 N-CA-C 109.621 -0.511 . . . . 0.0 109.621 176.315 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 85' ' ' SER . . . . . . . . . . . . . 6.7 p -141.06 154.12 45.81 Favored 'General case' 0 C--N 1.321 -0.671 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.558 -177.879 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 86' ' ' ARG . . . . . . . . . . . . . 1.4 tmm_? -95.05 101.05 12.79 Favored 'General case' 0 C--N 1.324 -0.534 0 N-CA-C 109.287 -0.634 . . . . 0.0 109.287 179.872 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 87' ' ' LEU . . . . . . . . . . . . . 11.0 mp . . . . . 0 C--N 1.318 -0.782 0 CA-C-N 115.891 -0.595 . . . . 0.0 109.474 175.532 . . . . . . . . 0 0 . 1 . 002 nuclear build core ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 13.9 pt20 . . . . . 0 N--CA 1.452 -0.342 0 N-CA-C 109.985 -0.376 . . . . 0.0 109.985 . . . . . . . . . 0 0 . 1 . 002 nuclear build core ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 48.5 mt-30 -125.65 141.08 52.21 Favored 'General case' 0 C--N 1.319 -0.75 0 CA-C-N 116.353 -0.385 . . . . 0.0 110.646 -177.577 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 14' ' ' LYS . . . . . 0.459 ' HB2' ' CZ ' ' A' ' 16' ' ' PHE . 35.4 mmtp -123.3 159.21 29.28 Favored 'General case' 0 C--N 1.322 -0.622 0 CA-C-N 115.823 -0.626 . . . . 0.0 110.011 179.23 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 15' ' ' ASN . . . . . . . . . . . . . 48.6 t-20 -89.82 101.87 14.57 Favored 'General case' 0 C--N 1.321 -0.642 0 CA-C-N 115.975 -0.557 . . . . 0.0 109.729 -179.73 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 16' ' ' PHE . . . . . 0.459 ' CZ ' ' HB2' ' A' ' 14' ' ' LYS . 47.4 m-85 -99.54 131.27 45.65 Favored 'General case' 0 C--N 1.324 -0.527 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.471 -177.452 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 61.1 t30 -139.37 89.89 2.37 Favored 'General case' 0 C--N 1.32 -0.717 0 CA-C-N 115.988 -0.551 . . . . 0.0 109.598 178.348 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 18' ' ' ILE . . . . . 0.495 ' HB ' ' HB3' ' A' ' 53' ' ' LEU . 8.9 mm -112.71 122.4 66.81 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.657 0 CA-C-N 116.076 -0.511 . . . . 0.0 110.606 -174.321 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -79.39 146.44 32.83 Favored 'General case' 0 C--N 1.323 -0.553 0 N-CA-C 108.016 -1.105 . . . . 0.0 108.016 169.138 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -64.76 102.03 0.54 Allowed 'General case' 0 C--N 1.33 -0.242 0 CA-C-O 121.543 0.687 . . . . 0.0 110.91 -173.643 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 21' ' ' GLN . . . . . . . . . . . . . 35.2 mt-30 -106.84 169.87 6.33 Favored Pre-proline 0 C--N 1.319 -0.747 0 CA-C-N 114.635 -1.166 . . . . 0.0 109.729 176.412 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 22' ' ' PRO . . . . . . . . . . . . . 41.5 Cg_exo -57.26 136.52 76.83 Favored 'Trans proline' 0 N--CA 1.462 -0.366 0 C-N-CA 121.696 1.598 . . . . 0.0 110.001 168.202 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -51.89 -42.86 63.02 Favored 'General case' 0 C--N 1.328 -0.352 0 N-CA-C 112.598 0.592 . . . . 0.0 112.598 -167.248 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 24' ' ' GLN . . . . . 0.461 ' HA ' HG21 ' A' ' 38' ' ' VAL . 97.8 mt-30 -60.13 -42.16 94.19 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.934 0.397 . . . . 0.0 111.124 179.448 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 25' ' ' SER . . . . . 0.48 ' O ' ' HG2' ' A' ' 29' ' ' ARG . 38.0 t -79.47 -29.24 41.64 Favored 'General case' 0 C--N 1.325 -0.475 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.712 -178.704 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -60.29 -54.57 44.13 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.003 -179.412 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 27' ' ' MET . . . . . 0.584 ' HB2' ' CG2' ' A' ' 38' ' ' VAL . 63.3 mtt -67.31 -30.71 70.63 Favored 'General case' 0 C--O 1.215 -0.722 0 CA-C-N 116.071 -0.513 . . . . 0.0 110.475 179.335 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 53.7 tp -58.2 -30.45 66.47 Favored 'General case' 0 C--N 1.321 -0.641 0 CA-C-O 120.953 0.406 . . . . 0.0 110.486 178.053 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 29' ' ' ARG . . . . . 0.48 ' HG2' ' O ' ' A' ' 25' ' ' SER . 26.4 mmt180 -76.6 -51.56 11.38 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-O 120.914 0.388 . . . . 0.0 111.117 179.286 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 0.4 OUTLIER -80.08 -50.24 10.61 Favored 'General case' 0 C--N 1.326 -0.449 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.813 -176.275 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 31' ' ' ALA . . . . . 0.421 ' HB1' ' HB2' ' A' ' 36' ' ' MET . . . -67.56 -29.9 69.4 Favored 'General case' 0 C--N 1.322 -0.622 0 CA-C-N 116.2 -0.454 . . . . 0.0 111.778 -171.503 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 16.2 mm-40 -60.82 -29.42 69.47 Favored 'General case' 0 N--CA 1.466 0.344 0 C-N-CA 120.426 -0.51 . . . . 0.0 111.314 176.773 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 33' ' ' GLN . . . . . . . . . . . . . 99.2 mt-30 -70.31 -30.33 67.3 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-O 121.049 0.452 . . . . 0.0 110.344 176.187 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -94.57 -5.63 45.45 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 115.977 -0.556 . . . . 0.0 111.27 180.0 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 84.67 38.17 9.85 Favored Glycine 0 N--CA 1.45 -0.379 0 C-N-CA 121.126 -0.559 . . . . 0.0 112.864 178.766 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 36' ' ' MET . . . . . 0.421 ' HB2' ' HB1' ' A' ' 31' ' ' ALA . 73.9 mtm -136.74 163.56 30.32 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-N 116.966 0.383 . . . . 0.0 110.894 -179.986 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 37' ' ' GLN . . . . . . . . . . . . . 41.9 mt-30 -146.43 161.8 39.62 Favored 'General case' 0 C--N 1.326 -0.428 0 CA-C-N 116.06 -0.518 . . . . 0.0 110.655 179.566 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 38' ' ' VAL . . . . . 0.584 ' CG2' ' HB2' ' A' ' 27' ' ' MET . 17.7 t -77.55 134.42 28.52 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.424 0 CA-C-N 115.688 -0.687 . . . . 0.0 110.224 -179.026 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 39' ' ' PHE . . . . . . . . . . . . . 70.1 t80 -136.09 118.16 15.4 Favored 'General case' 0 C--N 1.323 -0.548 0 CA-C-O 120.932 0.396 . . . . 0.0 111.148 -178.788 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 40' ' ' PHE . . . . . . . . . . . . . 59.7 m-85 -130.15 146.3 51.78 Favored 'General case' 0 C--N 1.321 -0.658 0 CA-C-N 115.763 -0.653 . . . . 0.0 109.768 173.305 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 6.8 p-10 -93.49 -162.01 0.9 Allowed 'General case' 0 C--N 1.323 -0.584 0 N-CA-C 109.076 -0.712 . . . . 0.0 109.076 174.597 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 31.5 mm-40 -68.2 89.19 0.31 Allowed 'General case' 0 C--N 1.324 -0.52 0 CA-C-O 121.33 0.586 . . . . 0.0 111.21 -179.634 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 43' ' ' VAL . . . . . . . . . . . . . 36.0 m -128.44 161.38 37.23 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.528 0 CA-C-N 115.552 -0.749 . . . . 0.0 110.178 179.491 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 29.3 ttpp -98.36 89.59 4.51 Favored 'General case' 0 C--N 1.324 -0.532 0 CA-C-O 121.073 0.463 . . . . 0.0 110.208 -179.8 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 58.0 tp -144.56 114.28 7.23 Favored 'General case' 0 C--N 1.325 -0.493 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.297 -178.337 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 36.1 m-20 -130.44 151.9 50.42 Favored 'General case' 0 C--N 1.325 -0.466 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.314 -178.485 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 70.51 22.84 77.9 Favored Glycine 0 N--CA 1.452 -0.29 0 C-N-CA 120.972 -0.632 . . . . 0.0 113.319 174.085 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 48' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -85.25 123.05 30.3 Favored 'General case' 0 C--N 1.324 -0.543 0 CA-C-O 121.144 0.497 . . . . 0.0 110.546 179.756 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 20.6 pt20 -127.63 168.6 14.8 Favored 'General case' 0 C--N 1.325 -0.477 0 CA-C-N 116.011 -0.54 . . . . 0.0 110.219 -179.867 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -88.39 156.42 19.15 Favored 'General case' 0 C--N 1.321 -0.635 0 CA-C-N 116.015 -0.539 . . . . 0.0 110.807 -179.325 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -88.68 173.49 8.57 Favored 'General case' 0 C--N 1.323 -0.574 0 CA-C-N 115.829 -0.623 . . . . 0.0 110.604 179.637 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -65.92 120.67 13.51 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.945 179.621 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 53' ' ' LEU . . . . . 0.495 ' HB3' ' HB ' ' A' ' 18' ' ' ILE . 1.2 tm? -130.06 111.6 12.64 Favored 'General case' 0 C--N 1.326 -0.444 0 CA-C-N 116.317 -0.402 . . . . 0.0 110.626 -174.572 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 54' ' ' ASN . . . . . . . . . . . . . 27.6 t-20 -151.53 102.07 2.85 Favored 'General case' 0 C--N 1.324 -0.504 0 CA-C-N 116.11 -0.496 . . . . 0.0 109.895 174.204 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . 179.02 165.81 33.95 Favored Glycine 0 N--CA 1.449 -0.493 0 C-N-CA 120.626 -0.797 . . . . 0.0 112.45 -179.111 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 56' ' ' SER . . . . . 0.456 ' HA ' ' O ' ' A' ' 14' ' ' LYS . 10.1 p -107.13 116.91 32.75 Favored 'General case' 0 C--N 1.324 -0.523 0 CA-C-O 120.962 0.411 . . . . 0.0 110.043 176.729 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 57' ' ' MET . . . . . . . . . . . . . 11.0 ptt? -164.96 -173.12 2.81 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-N 116.058 -0.519 . . . . 0.0 110.866 -173.344 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 18.9 m -90.46 172.17 8.91 Favored 'General case' 0 C--N 1.325 -0.473 0 CA-C-N 116.636 -0.256 . . . . 0.0 111.25 -177.022 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 59' ' ' VAL . . . . . 0.477 ' O ' HD23 ' A' ' 63' ' ' LEU . 24.5 t -54.48 -50.47 57.98 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.265 0 CA-C-O 120.675 0.274 . . . . 0.0 110.602 178.96 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 60' ' ' GLU . . . . . 0.448 ' O ' ' HG3' ' A' ' 64' ' ' ARG . 53.0 mt-10 -52.99 -52.67 57.56 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-N 115.931 -0.577 . . . . 0.0 110.964 -179.725 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 61' ' ' GLN . . . . . 0.414 ' HA ' ' HD2' ' A' ' 64' ' ' ARG . 65.5 mt-30 -65.3 -37.05 85.96 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.32 -0.4 . . . . 0.0 111.276 -178.465 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . -62.33 -54.67 32.65 Favored Glycine 0 N--CA 1.446 -0.646 0 C-N-CA 121.199 -0.524 . . . . 0.0 112.43 -177.822 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 63' ' ' LEU . . . . . 0.495 HD12 HD11 ' A' ' 67' ' ' ILE . 3.9 mm? -64.14 -25.8 68.25 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-O 120.837 0.351 . . . . 0.0 110.825 -178.523 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 64' ' ' ARG . . . . . 0.448 ' HG3' ' O ' ' A' ' 60' ' ' GLU . 78.2 mtt180 -62.62 -51.21 68.18 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 116.222 -0.445 . . . . 0.0 111.424 178.966 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 65' ' ' ARG . . . . . . . . . . . . . 71.2 mtp180 -80.29 -16.06 55.52 Favored 'General case' 0 C--N 1.323 -0.56 0 CA-C-N 116.229 -0.442 . . . . 0.0 111.436 -179.792 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 48.4 tp -89.95 -39.46 12.98 Favored 'General case' 0 C--N 1.323 -0.565 0 N-CA-C 112.659 0.614 . . . . 0.0 112.659 -172.111 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 67' ' ' ILE . . . . . 0.495 HD11 HD12 ' A' ' 63' ' ' LEU . 65.5 mt -88.69 -65.44 0.96 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 N-CA-C 113.17 0.804 . . . . 0.0 113.17 -170.524 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . -114.86 -62.15 0.39 Allowed Glycine 0 N--CA 1.447 -0.601 0 C-N-CA 119.519 -1.324 . . . . 0.0 114.691 -169.789 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . 85.6 -21.95 12.55 Favored Glycine 0 N--CA 1.451 -0.348 0 N-CA-C 110.388 -1.085 . . . . 0.0 110.388 -166.405 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 70' ' ' ASN . . . . . 0.42 ' HB2' ' HD2' ' A' ' 71' ' ' PRO . 7.2 p30 -102.66 158.23 32.17 Favored Pre-proline 0 C--N 1.327 -0.398 0 N-CA-C 108.769 -0.826 . . . . 0.0 108.769 170.612 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 71' ' ' PRO . . . . . 0.42 ' HD2' ' HB2' ' A' ' 70' ' ' ASN . 19.7 Cg_endo -58.44 99.29 0.1 Allowed 'Trans proline' 0 C--N 1.349 0.559 0 C-N-CA 122.843 2.362 . . . . 0.0 113.461 -177.607 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 72' ' ' VAL . . . . . 0.457 HG23 ' HG2' ' A' ' 86' ' ' ARG . 9.5 p -150.91 135.81 10.01 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 CA-C-N 115.46 -0.791 . . . . 0.0 109.274 174.775 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -97.76 136.11 38.57 Favored 'General case' 0 C--N 1.322 -0.602 0 CA-C-O 120.808 0.337 . . . . 0.0 111.782 -168.573 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 74' ' ' PHE . . . . . . . . . . . . . 10.0 p90 -107.72 119.55 39.75 Favored 'General case' 0 C--N 1.324 -0.508 0 CA-C-N 115.944 -0.571 . . . . 0.0 109.913 177.382 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 75' ' ' ARG . . . . . . . . . . . . . 79.9 mtm180 -101.7 110.38 22.36 Favored 'General case' 0 C--N 1.32 -0.705 0 CA-C-N 116.017 -0.538 . . . . 0.0 110.651 -178.185 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 76' ' ' LEU . . . . . . . . . . . . . 81.6 mt -85.34 100.37 11.77 Favored 'General case' 0 C--N 1.326 -0.449 0 CA-C-N 115.65 -0.705 . . . . 0.0 110.146 -179.503 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 77' ' ' GLN . . . . . . . . . . . . . 84.8 mm-40 -89.64 140.88 28.18 Favored Pre-proline 0 C--N 1.322 -0.607 0 CA-C-N 115.934 -0.575 . . . . 0.0 110.808 -177.518 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 78' ' ' PRO . . . . . . . . . . . . . 49.4 Cg_endo -68.65 -0.51 6.12 Favored 'Trans proline' 0 C--N 1.347 0.456 0 C-N-CA 123.162 2.575 . . . . 0.0 112.557 -178.389 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 79' ' ' GLN . . . . . . . . . . . . . 14.1 mm100 -81.62 -2.61 50.82 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.061 -0.518 . . . . 0.0 110.128 176.383 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . 85.08 36.88 10.51 Favored Glycine 0 N--CA 1.445 -0.705 0 N-CA-C 110.994 -0.842 . . . . 0.0 110.994 -175.175 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 81' ' ' GLN . . . . . . . . . . . . . 78.2 mt-30 -128.72 129.51 45.85 Favored 'General case' 0 C--N 1.325 -0.457 0 CA-C-O 120.677 0.275 . . . . 0.0 111.2 -175.364 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 82' ' ' ILE . . . . . . . . . . . . . 45.8 mt -102.23 99.55 8.62 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.579 0 N-CA-C 108.746 -0.835 . . . . 0.0 108.746 170.963 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 83' ' ' VAL . . . . . . . . . . . . . 41.0 t -99.24 120.61 48.83 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.592 0 CA-C-N 116.024 -0.535 . . . . 0.0 110.387 -176.435 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 84' ' ' LEU . . . . . . . . . . . . . 19.8 tp -89.82 146.35 24.51 Favored 'General case' 0 C--N 1.322 -0.61 0 CA-C-N 116.321 -0.4 . . . . 0.0 110.226 179.915 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 85' ' ' SER . . . . . . . . . . . . . 3.6 p -156.27 128.7 7.64 Favored 'General case' 0 C--N 1.322 -0.592 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.63 -179.571 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 86' ' ' ARG . . . . . 0.457 ' HG2' HG23 ' A' ' 72' ' ' VAL . 80.0 mtt-85 -82.53 77.44 9.3 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-O 121.159 0.504 . . . . 0.0 111.436 -178.153 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 87' ' ' LEU . . . . . . . . . . . . . 11.2 mp . . . . . 0 C--N 1.323 -0.548 0 CA-C-N 115.636 -0.711 . . . . 0.0 109.783 174.168 . . . . . . . . 0 0 . 1 . 003 nuclear build core ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 52.1 tt0 . . . . . 0 N--CA 1.452 -0.342 0 N-CA-C 110.065 -0.346 . . . . 0.0 110.065 . . . . . . . . . 0 0 . 1 . 003 nuclear build core ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 15.7 mm100 -113.82 99.17 7.49 Favored 'General case' 0 C--N 1.323 -0.544 0 CA-C-O 120.864 0.364 . . . . 0.0 110.2 179.393 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 14' ' ' LYS . . . . . 0.58 ' O ' ' HA ' ' A' ' 56' ' ' SER . 33.8 mmtp -110.47 147.15 34.67 Favored 'General case' 0 C--N 1.322 -0.619 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.612 -178.997 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 15' ' ' ASN . . . . . . . . . . . . . 52.6 t30 -84.33 109.64 17.98 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-N 115.819 -0.628 . . . . 0.0 110.052 -178.377 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 16' ' ' PHE . . . . . 0.553 ' O ' ' HA ' ' A' ' 54' ' ' ASN . 23.9 m-85 -99.73 130.14 45.92 Favored 'General case' 0 C--N 1.32 -0.699 0 CA-C-N 116.405 -0.361 . . . . 0.0 110.248 -178.249 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 13.5 m120 -124.26 89.93 3.17 Favored 'General case' 0 C--N 1.324 -0.537 0 N-CA-C 109.228 -0.656 . . . . 0.0 109.228 -179.928 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 18' ' ' ILE . . . . . 0.484 HG21 HD11 ' A' ' 66' ' ' LEU . 12.2 mm -118.58 113.36 41.56 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.6 0 CA-C-N 116.321 -0.399 . . . . 0.0 111.188 -174.634 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -78.31 161.77 26.98 Favored 'General case' 0 C--N 1.324 -0.528 0 N-CA-C 108.765 -0.828 . . . . 0.0 108.765 170.407 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -68.12 101.66 1.19 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 121.48 0.657 . . . . 0.0 110.465 -177.253 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 21' ' ' GLN . . . . . . . . . . . . . 71.2 mt-30 -106.92 172.51 3.79 Favored Pre-proline 0 C--N 1.32 -0.708 0 CA-C-N 114.851 -1.068 . . . . 0.0 110.092 176.237 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 22' ' ' PRO . . . . . . . . . . . . . 22.6 Cg_exo -66.17 143.71 72.36 Favored 'Trans proline' 0 N--CA 1.459 -0.516 0 C-N-CA 121.83 1.686 . . . . 0.0 109.808 164.459 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -49.19 -45.32 44.05 Favored 'General case' 0 C--N 1.327 -0.406 0 N-CA-C 112.657 0.614 . . . . 0.0 112.657 -169.708 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 1.1 tm0? -60.36 -48.45 81.7 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-O 120.737 0.303 . . . . 0.0 110.53 -178.38 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 37.7 t -66.78 -33.58 75.93 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.761 178.953 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -54.96 -58.81 6.13 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 121.065 0.46 . . . . 0.0 111.386 -177.539 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 27' ' ' MET . . . . . 0.575 ' HB2' ' CG2' ' A' ' 38' ' ' VAL . 52.1 mtt -72.8 -25.14 61.04 Favored 'General case' 0 C--N 1.324 -0.504 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.214 179.835 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 28' ' ' LEU . . . . . 0.62 ' O ' ' HB3' ' A' ' 32' ' ' GLU . 41.5 tp -64.37 -29.03 70.11 Favored 'General case' 0 C--N 1.321 -0.64 0 N-CA-C 110.072 -0.344 . . . . 0.0 110.072 177.585 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 29' ' ' ARG . . . . . 0.488 ' HD3' ' OE2' ' A' ' 32' ' ' GLU . 14.6 mmt180 -90.68 -39.37 12.49 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.284 -0.416 . . . . 0.0 111.499 178.744 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 30' ' ' PHE . . . . . 0.451 ' HE1' ' CE1' ' A' ' 16' ' ' PHE . 7.2 t80 -69.28 -51.54 36.34 Favored 'General case' 0 C--N 1.322 -0.613 0 CA-C-O 121.452 0.644 . . . . 0.0 110.958 177.475 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 31' ' ' ALA . . . . . 0.43 ' HB1' ' HB2' ' A' ' 36' ' ' MET . . . -82.98 -16.98 45.1 Favored 'General case' 0 C--N 1.318 -0.792 0 CA-C-N 115.593 -0.731 . . . . 0.0 112.056 -170.623 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 32' ' ' GLU . . . . . 0.62 ' HB3' ' O ' ' A' ' 28' ' ' LEU . 11.0 pt-20 -58.91 -33.41 70.53 Favored 'General case' 0 N--CA 1.467 0.4 0 C-N-CA 120.447 -0.501 . . . . 0.0 110.51 176.971 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 33' ' ' GLN . . . . . 0.443 ' HG3' ' HG3' ' A' ' 32' ' ' GLU . 90.1 mt-30 -90.29 -24.87 20.78 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.832 -179.707 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -82.21 -27.65 32.42 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.301 -0.409 . . . . 0.0 111.474 179.384 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 101.49 36.85 3.67 Favored Glycine 0 N--CA 1.45 -0.395 0 C-N-CA 121.155 -0.545 . . . . 0.0 112.587 179.716 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 36' ' ' MET . . . . . 0.43 ' HB2' ' HB1' ' A' ' 31' ' ' ALA . 70.2 mtm -142.4 174.91 10.2 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-O 120.594 0.235 . . . . 0.0 110.666 -178.93 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 37' ' ' GLN . . . . . . . . . . . . . 58.4 tt0 -155.88 162.21 40.46 Favored 'General case' 0 C--N 1.329 -0.309 0 N-CA-C 109.325 -0.62 . . . . 0.0 109.325 178.312 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 38' ' ' VAL . . . . . 0.575 ' CG2' ' HB2' ' A' ' 27' ' ' MET . 11.0 t -76.26 116.34 19.19 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-O 120.714 0.292 . . . . 0.0 110.985 -174.658 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 39' ' ' PHE . . . . . . . . . . . . . 81.0 t80 -104.03 98.66 8.45 Favored 'General case' 0 C--N 1.324 -0.53 0 N-CA-C 108.624 -0.88 . . . . 0.0 108.624 173.577 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 40' ' ' PHE . . . . . . . . . . . . . 13.9 p90 -125.79 140.84 52.34 Favored 'General case' 0 C--N 1.32 -0.683 0 CA-C-N 116.007 -0.542 . . . . 0.0 111.18 -171.726 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 21.2 m-20 -114.98 -85.72 0.61 Allowed 'General case' 0 C--N 1.323 -0.586 0 CA-C-N 115.589 -0.732 . . . . 0.0 110.163 178.194 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 77.5 mm-40 -101.8 89.95 3.84 Favored 'General case' 0 C--N 1.323 -0.57 0 CA-C-O 121.084 0.469 . . . . 0.0 110.632 178.004 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 43' ' ' VAL . . . . . . . . . . . . . 30.2 m -132.84 -176.35 1.7 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.513 0 CA-C-N 115.736 -0.665 . . . . 0.0 110.103 179.218 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 44' ' ' LYS . . . . . 0.402 ' HB2' ' HE3' ' A' ' 44' ' ' LYS . 34.4 ttmt -73.11 148.1 44.28 Favored 'General case' 0 C--N 1.321 -0.633 0 CA-C-O 121.099 0.476 . . . . 0.0 110.03 177.203 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 45' ' ' LEU . . . . . 0.569 HD22 ' H ' ' A' ' 45' ' ' LEU . 2.7 mm? -60.46 138.13 58.05 Favored 'General case' 0 C--N 1.325 -0.458 0 CA-C-N 115.3 -0.864 . . . . 0.0 110.558 -178.181 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 24.3 t70 -55.88 145.94 23.35 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-N 115.615 -0.721 . . . . 0.0 110.587 179.195 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 123.64 -17.04 7.84 Favored Glycine 0 N--CA 1.444 -0.827 0 N-CA-C 109.736 -1.346 . . . . 0.0 109.736 -168.138 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 48' ' ' MET . . . . . . . . . . . . . 12.9 tpt -56.71 122.03 11.16 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 114.622 -0.789 . . . . 0.0 109.724 170.857 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 79.6 mt-30 -67.7 131.46 45.62 Favored 'General case' 0 C--N 1.323 -0.56 0 CA-C-N 116.283 -0.417 . . . . 0.0 111.294 -178.197 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -82.96 143.89 30.36 Favored 'General case' 0 C--N 1.317 -0.814 0 N-CA-C 109.119 -0.697 . . . . 0.0 109.119 171.855 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -69.43 144.15 53.4 Favored 'General case' 0 C--N 1.322 -0.628 0 CA-C-N 116.402 -0.363 . . . . 0.0 110.499 -179.081 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -66.8 89.96 0.17 Allowed 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.613 178.755 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 50.0 tp -95.12 118.4 31.86 Favored 'General case' 0 C--N 1.323 -0.555 0 CA-C-N 115.573 -0.74 . . . . 0.0 110.817 -176.844 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 54' ' ' ASN . . . . . 0.553 ' HA ' ' O ' ' A' ' 16' ' ' PHE . 6.6 t30 -143.56 98.9 3.33 Favored 'General case' 0 C--N 1.322 -0.622 0 CA-C-N 115.964 -0.562 . . . . 0.0 109.617 176.452 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . 177.98 168.32 37.31 Favored Glycine 0 N--CA 1.447 -0.599 0 C-N-CA 120.846 -0.693 . . . . 0.0 112.054 -179.754 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 56' ' ' SER . . . . . 0.58 ' HA ' ' O ' ' A' ' 14' ' ' LYS . 44.2 m -101.12 112.89 25.48 Favored 'General case' 0 C--N 1.324 -0.543 0 CA-C-O 120.78 0.324 . . . . 0.0 110.559 177.928 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 57' ' ' MET . . . . . . . . . . . . . 21.8 ptp -154.82 -174.51 5.01 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.076 -0.511 . . . . 0.0 110.445 -178.926 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 58' ' ' SER . . . . . 0.511 ' HB2' ' OE1' ' A' ' 61' ' ' GLN . 16.4 m -87.79 176.67 7.28 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 116.703 -0.226 . . . . 0.0 111.493 -179.06 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 59' ' ' VAL . . . . . . . . . . . . . 46.8 t -64.37 -44.93 97.22 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 N-CA-C 110.195 -0.298 . . . . 0.0 110.195 -179.927 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 60' ' ' GLU . . . . . 0.454 ' O ' ' HG3' ' A' ' 64' ' ' ARG . 59.2 mm-40 -52.12 -62.75 1.44 Allowed 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 115.942 -0.572 . . . . 0.0 110.934 178.299 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 61' ' ' GLN . . . . . 0.511 ' OE1' ' HB2' ' A' ' 58' ' ' SER . 22.7 mp0 -55.76 -43.17 76.44 Favored 'General case' 0 C--O 1.234 0.286 0 CA-C-N 115.799 -0.637 . . . . 0.0 111.152 -178.623 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . -58.12 -58.31 15.24 Favored Glycine 0 N--CA 1.445 -0.745 0 C-N-CA 121.053 -0.594 . . . . 0.0 112.143 -179.197 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 63' ' ' LEU . . . . . 0.511 ' O ' HG13 ' A' ' 67' ' ' ILE . 4.5 mm? -57.85 -45.7 85.87 Favored 'General case' 0 C--N 1.327 -0.388 0 C-N-CA 122.329 0.252 . . . . 0.0 111.642 -176.509 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 64' ' ' ARG . . . . . 0.454 ' HG3' ' O ' ' A' ' 60' ' ' GLU . 94.8 mtt180 -52.28 -52.57 52.0 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-O 120.796 0.331 . . . . 0.0 111.346 -179.678 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 65' ' ' ARG . . . . . . . . . . . . . 89.4 mtt180 -79.67 -29.73 40.95 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 115.98 -0.555 . . . . 0.0 111.253 -175.518 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 66' ' ' LEU . . . . . 0.484 HD11 HG21 ' A' ' 18' ' ' ILE . 45.7 tp -69.61 -48.09 61.22 Favored 'General case' 0 C--N 1.323 -0.546 0 CA-C-N 115.633 -0.712 . . . . 0.0 112.067 -174.806 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 67' ' ' ILE . . . . . 0.511 HG13 ' O ' ' A' ' 63' ' ' LEU . 11.6 mt -75.7 -66.06 0.64 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.436 0 C-N-CA 120.429 -0.509 . . . . 0.0 110.884 -173.352 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . -116.83 -50.9 0.39 Allowed Glycine 0 N--CA 1.45 -0.403 0 C-N-CA 120.9 -0.667 . . . . 0.0 113.196 -178.634 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . 104.48 -0.7 43.01 Favored Glycine 0 N--CA 1.447 -0.627 0 N-CA-C 110.644 -0.982 . . . . 0.0 110.644 -167.02 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 70' ' ' ASN . . . . . . . . . . . . . 83.2 m-20 -100.88 159.34 29.8 Favored Pre-proline 0 C--N 1.328 -0.353 0 CA-C-N 115.361 -0.419 . . . . 0.0 109.895 177.601 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 71' ' ' PRO . . . . . . . . . . . . . 24.9 Cg_exo -64.97 124.2 12.73 Favored 'Trans proline' 0 C--N 1.345 0.366 0 C-N-CA 122.58 2.187 . . . . 0.0 111.13 171.884 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 72' ' ' VAL . . . . . . . . . . . . . 1.0 OUTLIER -150.75 162.56 3.34 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.524 0 N-CA-C 109.425 -0.583 . . . . 0.0 109.425 -176.152 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -108.41 118.32 36.47 Favored 'General case' 0 N--CA 1.444 -0.761 0 C-N-CA 120.645 -0.422 . . . . 0.0 109.869 -177.897 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 74' ' ' PHE . . . . . 0.411 ' HB3' ' HG ' ' A' ' 84' ' ' LEU . 38.6 p90 -133.24 118.69 18.89 Favored 'General case' 0 C--N 1.317 -0.835 0 CA-C-O 121.494 0.664 . . . . 0.0 109.628 179.732 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 75' ' ' ARG . . . . . . . . . . . . . 75.0 ttt180 -97.09 115.55 27.7 Favored 'General case' 0 C--N 1.319 -0.748 0 CA-C-N 115.625 -0.716 . . . . 0.0 110.35 -175.622 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 76' ' ' LEU . . . . . . . . . . . . . 2.5 mm? -82.87 99.83 9.98 Favored 'General case' 0 C--N 1.324 -0.533 0 N-CA-C 109.048 -0.723 . . . . 0.0 109.048 177.945 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 77' ' ' GLN . . . . . 0.435 ' HA ' ' HD3' ' A' ' 78' ' ' PRO . 0.0 OUTLIER -88.18 132.36 39.84 Favored Pre-proline 0 N--CA 1.443 -0.809 0 CA-C-N 116.348 -0.387 . . . . 0.0 110.178 -177.623 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 78' ' ' PRO . . . . . 0.435 ' HD3' ' HA ' ' A' ' 77' ' ' GLN . 50.8 Cg_exo -56.51 -17.32 21.48 Favored 'Trans proline' 0 C--N 1.353 0.767 0 C-N-CA 123.754 2.969 . . . . 0.0 114.373 -173.71 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 79' ' ' GLN . . . . . . . . . . . . . 42.7 mt-30 -82.77 15.53 2.62 Favored 'General case' 0 C--N 1.325 -0.457 0 CA-C-O 120.978 0.418 . . . . 0.0 110.945 178.386 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . 78.02 39.69 23.09 Favored Glycine 0 N--CA 1.446 -0.654 0 C-N-CA 121.037 -0.601 . . . . 0.0 112.578 176.227 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 81' ' ' GLN . . . . . . . . . . . . . 78.1 mt-30 -131.74 119.12 20.88 Favored 'General case' 0 C--N 1.324 -0.522 0 CA-C-O 120.716 0.293 . . . . 0.0 110.994 -177.938 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 82' ' ' ILE . . . . . . . . . . . . . 56.9 mt -89.47 101.97 12.63 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 N-CA-C 109.503 -0.554 . . . . 0.0 109.503 175.501 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 83' ' ' VAL . . . . . . . . . . . . . 28.8 t -94.2 100.74 11.65 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.407 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.226 -177.988 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 84' ' ' LEU . . . . . 0.622 HD23 ' N ' ' A' ' 85' ' ' SER . 3.9 tt -94.72 136.83 34.57 Favored 'General case' 0 C--N 1.323 -0.56 0 N-CA-C 109.723 -0.473 . . . . 0.0 109.723 -178.567 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 85' ' ' SER . . . . . 0.622 ' N ' HD23 ' A' ' 84' ' ' LEU . 21.4 m -141.27 144.25 34.55 Favored 'General case' 0 N--CA 1.451 -0.381 0 CA-C-N 116.306 -0.407 . . . . 0.0 109.948 179.981 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 86' ' ' ARG . . . . . . . . . . . . . 64.6 ttt-85 -87.37 94.53 9.71 Favored 'General case' 0 C--N 1.323 -0.57 0 CA-C-O 120.949 0.404 . . . . 0.0 110.822 -178.898 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 87' ' ' LEU . . . . . 0.414 HD13 ' HA ' ' A' ' 87' ' ' LEU . 3.9 mm? . . . . . 0 C--N 1.323 -0.573 0 CA-C-N 116.431 -0.349 . . . . 0.0 110.661 177.667 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 29.7 pt20 . . . . . 0 C--O 1.235 0.33 0 CA-C-O 120.928 0.394 . . . . 0.0 110.595 . . . . . . . . . 0 0 . 1 . 004 nuclear build core ' A' A ' 13' ' ' GLN . . . . . 0.471 ' OE1' ' HA ' ' A' ' 57' ' ' MET . 44.6 mt-30 -121.86 138.75 54.27 Favored 'General case' 0 C--N 1.32 -0.705 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.418 -179.133 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 14' ' ' LYS . . . . . 0.49 ' HB2' ' CE2' ' A' ' 16' ' ' PHE . 34.8 mmtp -109.8 151.27 27.19 Favored 'General case' 0 C--N 1.323 -0.576 0 CA-C-N 116.237 -0.438 . . . . 0.0 109.949 -178.386 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 15' ' ' ASN . . . . . 0.434 ' HA ' ' HA ' ' A' ' 56' ' ' SER . 7.3 t30 -83.07 101.31 11.06 Favored 'General case' 0 C--N 1.324 -0.528 0 CA-C-O 120.844 0.354 . . . . 0.0 110.111 -179.947 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 16' ' ' PHE . . . . . 0.49 ' CE2' ' HB2' ' A' ' 14' ' ' LYS . 90.6 m-85 -100.27 129.7 46.3 Favored 'General case' 0 C--N 1.323 -0.57 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.924 -178.418 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 24.3 t-20 -131.32 95.51 3.79 Favored 'General case' 0 C--N 1.324 -0.514 0 CA-C-N 115.903 -0.59 . . . . 0.0 109.728 176.349 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 18' ' ' ILE . . . . . 0.457 ' CD1' ' HB2' ' A' ' 30' ' ' PHE . 11.9 mt -123.09 119.87 58.93 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.546 0 CA-C-N 116.091 -0.504 . . . . 0.0 110.577 -175.768 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -68.72 148.99 49.57 Favored 'General case' 0 C--N 1.325 -0.497 0 N-CA-C 108.931 -0.766 . . . . 0.0 108.931 173.005 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -64.05 104.21 0.69 Allowed 'General case' 0 C--N 1.326 -0.423 0 CA-C-O 121.273 0.559 . . . . 0.0 110.695 -176.45 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 21' ' ' GLN . . . . . . . . . . . . . 77.6 mt-30 -104.31 172.61 3.99 Favored Pre-proline 0 C--N 1.32 -0.682 0 CA-C-N 115.266 -0.879 . . . . 0.0 109.738 177.682 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 22' ' ' PRO . . . . . . . . . . . . . 52.7 Cg_exo -55.88 140.22 85.15 Favored 'Trans proline' 0 N--CA 1.462 -0.357 0 C-N-CA 121.629 1.553 . . . . 0.0 109.852 165.85 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -51.21 -50.37 59.21 Favored 'General case' 0 C--N 1.328 -0.357 0 N-CA-C 112.434 0.531 . . . . 0.0 112.434 -168.846 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 2.7 mp0 -63.32 -31.37 72.5 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-O 120.721 0.296 . . . . 0.0 111.506 -178.514 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 47.4 t -78.58 -35.44 45.81 Favored 'General case' 0 C--N 1.325 -0.462 0 CA-C-N 116.368 -0.378 . . . . 0.0 110.375 177.439 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -58.1 -53.99 52.01 Favored 'General case' 0 CA--C 1.514 -0.436 0 CA-C-O 121.49 0.662 . . . . 0.0 110.727 -179.582 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 27' ' ' MET . . . . . 0.449 ' CB ' HG13 ' A' ' 38' ' ' VAL . 19.9 mmt -74.79 -19.15 60.32 Favored 'General case' 0 C--N 1.317 -0.817 0 CA-C-N 115.207 -0.906 . . . . 0.0 110.97 -176.127 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 28' ' ' LEU . . . . . 0.457 ' O ' ' HB3' ' A' ' 32' ' ' GLU . 63.4 tp -64.06 -32.48 74.05 Favored 'General case' 0 C--N 1.322 -0.617 0 N-CA-C 109.059 -0.719 . . . . 0.0 109.059 172.55 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 29' ' ' ARG . . . . . 0.437 ' HA ' ' OE2' ' A' ' 32' ' ' GLU . 19.2 mmt180 -90.14 -38.03 13.79 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 115.667 -0.697 . . . . 0.0 111.4 -179.569 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 30' ' ' PHE . . . . . 0.457 ' HB2' ' CD1' ' A' ' 18' ' ' ILE . 17.9 t80 -71.69 -56.25 6.17 Favored 'General case' 0 C--N 1.323 -0.547 0 CA-C-O 121.293 0.568 . . . . 0.0 110.964 177.467 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -76.31 -17.42 59.44 Favored 'General case' 0 C--N 1.318 -0.79 0 CA-C-N 115.668 -0.696 . . . . 0.0 112.064 -170.422 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 32' ' ' GLU . . . . . 0.457 ' HB3' ' O ' ' A' ' 28' ' ' LEU . 14.5 pt-20 -64.0 -29.73 70.87 Favored 'General case' 0 N--CA 1.463 0.194 0 C-N-CA 119.995 -0.682 . . . . 0.0 109.843 174.84 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 33' ' ' GLN . . . . . . . . . . . . . 77.8 mt-30 -77.05 -30.8 55.77 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 115.93 -0.577 . . . . 0.0 110.165 176.359 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -88.31 -19.04 27.25 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-N 115.653 -0.703 . . . . 0.0 111.547 -176.636 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 95.46 31.65 7.39 Favored Glycine 0 CA--C 1.52 0.377 0 CA-C-N 116.298 -0.41 . . . . 0.0 112.806 178.688 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 36' ' ' MET . . . . . . . . . . . . . 71.3 mtm -144.64 175.73 9.94 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.631 0.253 . . . . 0.0 111.072 -176.666 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 37' ' ' GLN . . . . . . . . . . . . . 38.7 mt-30 -150.65 161.61 42.27 Favored 'General case' 0 C--N 1.329 -0.288 0 C-N-CA 123.328 0.651 . . . . 0.0 109.476 174.138 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 38' ' ' VAL . . . . . 0.449 HG13 ' CB ' ' A' ' 27' ' ' MET . 4.2 m -77.01 136.7 23.95 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.5 0 CA-C-O 121.073 0.463 . . . . 0.0 111.348 -177.244 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 39' ' ' PHE . . . . . . . . . . . . . 89.3 t80 -116.03 98.21 6.51 Favored 'General case' 0 C--N 1.323 -0.562 0 CA-C-N 115.797 -0.638 . . . . 0.0 109.85 178.071 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 40' ' ' PHE . . . . . . . . . . . . . 93.3 m-85 -145.67 135.81 23.8 Favored 'General case' 0 C--N 1.322 -0.588 0 CA-C-N 115.925 -0.58 . . . . 0.0 110.232 -178.864 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 8.8 m-20 -125.93 -69.11 0.79 Allowed 'General case' 0 C--N 1.322 -0.605 0 CA-C-N 116.08 -0.509 . . . . 0.0 110.444 177.933 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 38.2 mt-10 -98.52 87.39 3.82 Favored 'General case' 0 C--N 1.322 -0.603 0 CA-C-N 116.08 -0.509 . . . . 0.0 109.902 179.532 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 43' ' ' VAL . . . . . . . . . . . . . 19.3 m -146.13 -162.62 0.12 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.448 0 CA-C-N 115.394 -0.821 . . . . 0.0 109.916 -177.274 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 36.9 ttmt -54.51 137.83 42.0 Favored 'General case' 0 C--O 1.236 0.343 0 CA-C-O 121.228 0.537 . . . . 0.0 110.744 174.737 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 63.9 tp -56.61 136.68 54.59 Favored 'General case' 0 C--N 1.325 -0.467 0 CA-C-N 115.132 -0.94 . . . . 0.0 111.017 -178.522 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 2.2 m-20 -55.76 149.83 13.84 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 115.564 -0.744 . . . . 0.0 110.886 176.832 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 121.42 -20.75 8.29 Favored Glycine 0 N--CA 1.444 -0.793 0 N-CA-C 110.047 -1.221 . . . . 0.0 110.047 -169.672 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 48' ' ' MET . . . . . . . . . . . . . 16.9 tpt -58.38 127.54 32.64 Favored 'General case' 0 C--O 1.234 0.243 0 CA-C-N 114.695 -0.752 . . . . 0.0 110.456 176.739 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 30.2 mm-40 -93.21 148.55 21.93 Favored 'General case' 0 C--N 1.319 -0.747 0 CA-C-O 121.282 0.563 . . . . 0.0 110.845 -179.512 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -83.73 166.73 17.81 Favored 'General case' 0 C--N 1.317 -0.815 0 CA-C-N 115.312 -0.858 . . . . 0.0 109.422 174.884 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -83.63 157.42 22.26 Favored 'General case' 0 C--N 1.317 -0.815 0 CA-C-N 116.347 -0.388 . . . . 0.0 110.465 -179.443 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -65.43 110.12 2.55 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.029 -0.532 . . . . 0.0 109.79 178.022 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 53' ' ' LEU . . . . . 0.408 ' HG ' ' HG ' ' A' ' 66' ' ' LEU . 2.8 tm? -108.5 117.28 33.77 Favored 'General case' 0 C--N 1.322 -0.599 0 CA-C-N 116.307 -0.406 . . . . 0.0 110.57 -173.895 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 54' ' ' ASN . . . . . . . . . . . . . 10.2 t30 -153.5 103.76 2.68 Favored 'General case' 0 C--N 1.324 -0.534 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.186 172.735 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . 178.52 158.28 20.82 Favored Glycine 0 N--CA 1.445 -0.753 0 C-N-CA 120.587 -0.816 . . . . 0.0 112.185 178.49 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 56' ' ' SER . . . . . 0.488 ' HA ' ' O ' ' A' ' 14' ' ' LYS . 29.0 t -91.25 108.41 19.86 Favored 'General case' 0 C--N 1.322 -0.622 0 N-CA-C 109.18 -0.674 . . . . 0.0 109.18 175.265 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 57' ' ' MET . . . . . 0.505 ' SD ' ' HA2' ' A' ' 62' ' ' GLY . 20.2 ptp -156.64 169.92 23.58 Favored 'General case' 0 C--N 1.324 -0.512 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.851 -173.977 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 4.8 m -88.01 177.51 6.92 Favored 'General case' 0 C--N 1.326 -0.452 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.059 177.612 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 59' ' ' VAL . . . . . . . . . . . . . 45.9 t -60.67 -39.98 83.3 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 N-CA-C 110.328 -0.249 . . . . 0.0 110.328 179.834 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 62.0 mm-40 -47.62 -61.41 1.95 Allowed 'General case' 0 N--CA 1.463 0.193 0 CA-C-N 115.98 -0.555 . . . . 0.0 111.575 177.1 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 61' ' ' GLN . . . . . 0.464 ' HB2' ' HB2' ' A' ' 57' ' ' MET . 68.5 mt-30 -72.23 -36.01 69.0 Favored 'General case' 0 C--N 1.325 -0.467 0 CA-C-N 115.851 -0.613 . . . . 0.0 110.971 -176.968 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 62' ' ' GLY . . . . . 0.512 ' O ' ' HB2' ' A' ' 66' ' ' LEU . . . -66.91 -54.04 23.8 Favored Glycine 0 C--O 1.222 -0.654 0 CA-C-N 115.86 -0.609 . . . . 0.0 112.958 -175.885 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 63' ' ' LEU . . . . . 0.418 HD12 ' CG ' ' A' ' 74' ' ' PHE . 1.9 tm? -59.51 -44.74 93.04 Favored 'General case' 0 C--N 1.325 -0.476 0 CA-C-O 120.969 0.414 . . . . 0.0 110.817 -175.479 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 64' ' ' ARG . . . . . . . . . . . . . 54.0 mtp180 -58.29 -47.41 83.74 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 115.884 -0.598 . . . . 0.0 110.848 178.568 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 65' ' ' ARG . . . . . 0.515 ' HA ' ' HA2' ' A' ' 69' ' ' GLY . 73.7 ttt180 -73.36 -31.99 64.26 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 116.067 -0.515 . . . . 0.0 111.344 -178.512 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 66' ' ' LEU . . . . . 0.512 ' HB2' ' O ' ' A' ' 62' ' ' GLY . 1.2 tt -70.07 -44.86 68.27 Favored 'General case' 0 C--N 1.325 -0.498 0 CA-C-N 115.652 -0.704 . . . . 0.0 111.213 -174.694 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 67' ' ' ILE . . . . . . . . . . . . . 58.3 mt -75.18 -65.78 0.66 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.26 0 C-N-CA 120.048 -0.661 . . . . 0.0 111.044 -176.966 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . -116.84 -49.09 0.43 Allowed Glycine 0 N--CA 1.45 -0.409 0 C-N-CA 120.913 -0.66 . . . . 0.0 113.347 -179.098 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 69' ' ' GLY . . . . . 0.515 ' HA2' ' HA ' ' A' ' 65' ' ' ARG . . . 105.17 -6.12 42.54 Favored Glycine 0 N--CA 1.45 -0.384 0 N-CA-C 111.032 -0.827 . . . . 0.0 111.032 -168.869 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 70' ' ' ASN . . . . . . . . . . . . . 94.6 m-20 -101.27 161.45 23.6 Favored Pre-proline 0 C--N 1.325 -0.472 0 CA-C-N 115.564 -0.318 . . . . 0.0 110.309 179.061 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 71' ' ' PRO . . . . . . . . . . . . . 37.8 Cg_exo -63.23 125.57 16.02 Favored 'Trans proline' 0 C--N 1.344 0.314 0 C-N-CA 122.755 2.304 . . . . 0.0 112.136 176.492 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 72' ' ' VAL . . . . . . . . . . . . . 4.3 p -152.17 161.14 3.09 Favored 'Isoleucine or valine' 0 N--CA 1.447 -0.594 0 N-CA-C 109.545 -0.539 . . . . 0.0 109.545 -176.629 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 73' ' ' ALA . . . . . 0.47 ' HB2' HD13 ' A' ' 87' ' ' LEU . . . -102.83 138.85 39.16 Favored 'General case' 0 N--CA 1.439 -1.021 0 N-CA-C 109.102 -0.703 . . . . 0.0 109.102 175.956 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 74' ' ' PHE . . . . . 0.418 ' CG ' HD12 ' A' ' 63' ' ' LEU . 15.1 p90 -147.0 119.95 8.74 Favored 'General case' 0 C--N 1.309 -1.181 0 CA-C-O 121.503 0.668 . . . . 0.0 110.068 179.709 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 75' ' ' ARG . . . . . . . . . . . . . 55.8 mtm180 -91.5 112.81 24.87 Favored 'General case' 0 C--N 1.319 -0.753 0 CA-C-N 115.29 -0.868 . . . . 0.0 110.594 -175.549 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 76' ' ' LEU . . . . . . . . . . . . . 75.0 mt -91.58 99.74 12.6 Favored 'General case' 0 C--N 1.323 -0.562 0 CA-C-N 115.505 -0.77 . . . . 0.0 110.448 -177.739 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 77' ' ' GLN . . . . . . . . . . . . . 79.5 mt-30 -82.13 121.9 79.15 Favored Pre-proline 0 C--N 1.322 -0.624 0 CA-C-N 116.095 -0.502 . . . . 0.0 110.038 178.989 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 78' ' ' PRO . . . . . . . . . . . . . 31.5 Cg_exo -60.24 -12.07 18.51 Favored 'Trans proline' 0 C--N 1.347 0.475 0 C-N-CA 123.057 2.505 . . . . 0.0 112.092 178.496 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 79' ' ' GLN . . . . . . . . . . . . . 7.3 mm100 -69.22 -15.75 63.45 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.063 -0.517 . . . . 0.0 109.945 176.855 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . 109.66 31.35 3.22 Favored Glycine 0 N--CA 1.447 -0.628 0 C-N-CA 120.923 -0.656 . . . . 0.0 112.499 178.31 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 81' ' ' GLN . . . . . . . . . . . . . 26.4 mt-30 -134.64 126.44 29.15 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-O 121.038 0.447 . . . . 0.0 111.584 -176.95 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 82' ' ' ILE . . . . . . . . . . . . . 65.1 mt -100.69 116.29 43.87 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.517 0 CA-C-N 115.742 -0.663 . . . . 0.0 109.652 174.698 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 83' ' ' VAL . . . . . . . . . . . . . 41.4 t -115.91 119.76 62.82 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.535 0 CA-C-N 116.451 -0.341 . . . . 0.0 110.329 -179.389 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 84' ' ' LEU . . . . . . . . . . . . . 17.9 tp -78.63 153.61 30.93 Favored 'General case' 0 C--N 1.326 -0.455 0 N-CA-C 110.109 -0.33 . . . . 0.0 110.109 -179.231 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 85' ' ' SER . . . . . . . . . . . . . 32.7 m -154.02 172.71 17.04 Favored 'General case' 0 C--N 1.324 -0.515 0 N-CA-C 109.388 -0.597 . . . . 0.0 109.388 179.51 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 86' ' ' ARG . . . . . . . . . . . . . 38.3 ttt180 -122.84 123.32 40.74 Favored 'General case' 0 C--N 1.318 -0.798 0 N-CA-C 109.35 -0.611 . . . . 0.0 109.35 177.833 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 87' ' ' LEU . . . . . 0.47 HD13 ' HB2' ' A' ' 73' ' ' ALA . 1.7 tp . . . . . 0 C--N 1.322 -0.599 0 CA-C-N 116.396 -0.366 . . . . 0.0 110.278 -176.709 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 26.2 pt20 . . . . . 0 C--O 1.234 0.273 0 CA-C-O 121.036 0.446 . . . . 0.0 111.08 . . . . . . . . . 0 0 . 1 . 005 nuclear build core ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 93.2 mt-30 -109.46 135.26 50.77 Favored 'General case' 0 C--N 1.324 -0.542 0 CA-C-N 115.791 -0.641 . . . . 0.0 110.361 177.316 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 14' ' ' LYS . . . . . 0.437 ' HB2' ' CE2' ' A' ' 16' ' ' PHE . 35.4 mmtp -108.96 154.03 22.74 Favored 'General case' 0 C--N 1.32 -0.688 0 N-CA-C 109.551 -0.537 . . . . 0.0 109.551 178.598 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 15' ' ' ASN . . . . . . . . . . . . . 27.1 t-20 -86.56 113.76 22.73 Favored 'General case' 0 C--N 1.321 -0.657 0 CA-C-N 116.403 -0.362 . . . . 0.0 110.33 -179.163 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 16' ' ' PHE . . . . . 0.437 ' CE2' ' HB2' ' A' ' 14' ' ' LYS . 94.7 m-85 -113.23 152.49 29.71 Favored 'General case' 0 C--N 1.323 -0.544 0 CA-C-N 116.094 -0.503 . . . . 0.0 111.276 -177.468 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 43.7 t30 -149.96 90.58 1.7 Allowed 'General case' 0 C--N 1.324 -0.523 0 CA-C-N 115.38 -0.827 . . . . 0.0 109.073 176.646 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 18' ' ' ILE . . . . . 0.456 ' HB ' ' HB3' ' A' ' 53' ' ' LEU . 20.0 mm -112.49 123.36 68.12 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.513 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.449 -175.368 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -77.99 156.5 30.13 Favored 'General case' 0 C--N 1.323 -0.545 0 N-CA-C 108.688 -0.856 . . . . 0.0 108.688 172.175 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -69.77 102.09 1.84 Allowed 'General case' 0 C--N 1.328 -0.338 0 C-N-CA 120.003 -0.679 . . . . 0.0 110.332 -176.231 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 21' ' ' GLN . . . . . . . . . . . . . 76.7 mt-30 -104.93 165.17 13.71 Favored Pre-proline 0 C--N 1.322 -0.63 0 CA-C-N 114.936 -1.029 . . . . 0.0 109.641 176.565 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 22' ' ' PRO . . . . . . . . . . . . . 9.6 Cg_endo -55.59 137.73 78.79 Favored 'Trans proline' 0 N--CA 1.46 -0.465 0 C-N-CA 121.918 1.745 . . . . 0.0 109.597 165.952 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 23' ' ' LEU . . . . . 0.428 HD12 ' HB3' ' A' ' 48' ' ' MET . 0.6 OUTLIER -49.76 -42.22 45.92 Favored 'General case' 0 C--N 1.327 -0.391 0 N-CA-C 112.591 0.589 . . . . 0.0 112.591 -167.508 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 24.5 mp0 -57.25 -53.1 61.9 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-O 121.017 0.436 . . . . 0.0 110.63 -179.245 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 25' ' ' SER . . . . . 0.426 ' O ' ' HG2' ' A' ' 29' ' ' ARG . 43.2 t -71.09 -32.33 68.93 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-N 115.867 -0.606 . . . . 0.0 110.859 -178.526 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -56.21 -59.23 5.24 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 121.24 0.543 . . . . 0.0 111.388 -177.386 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 27' ' ' MET . . . . . 0.626 ' HB2' ' CG1' ' A' ' 38' ' ' VAL . 9.8 mmt -82.46 -13.49 56.64 Favored 'General case' 0 CA--C 1.506 -0.734 0 CA-C-N 115.904 -0.589 . . . . 0.0 110.283 -176.604 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 28' ' ' LEU . . . . . 0.67 ' O ' ' HG3' ' A' ' 32' ' ' GLU . 65.4 tp -60.1 -53.42 58.0 Favored 'General case' 0 C--N 1.321 -0.672 0 N-CA-C 108.257 -1.016 . . . . 0.0 108.257 167.729 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 29' ' ' ARG . . . . . 0.426 ' HG2' ' O ' ' A' ' 25' ' ' SER . 28.5 mmt180 -63.94 -42.73 97.26 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 115.811 -0.631 . . . . 0.0 111.588 -178.46 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 30' ' ' PHE . . . . . 0.566 ' CE2' HD21 ' A' ' 63' ' ' LEU . 8.1 t80 -63.83 -54.38 35.99 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 121.035 0.445 . . . . 0.0 110.746 176.82 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 31' ' ' ALA . . . . . 0.506 ' HB1' ' HB2' ' A' ' 36' ' ' MET . . . -69.9 -19.37 63.41 Favored 'General case' 0 N--CA 1.448 -0.57 0 CA-C-N 116.039 -0.528 . . . . 0.0 111.184 -174.584 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 32' ' ' GLU . . . . . 0.67 ' HG3' ' O ' ' A' ' 28' ' ' LEU . 27.8 mt-10 -57.09 -34.38 68.26 Favored 'General case' 0 N--CA 1.468 0.442 0 C-N-CA 120.624 -0.43 . . . . 0.0 110.577 174.052 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 33' ' ' GLN . . . . . . . . . . . . . 87.8 mm-40 -90.13 -14.01 34.51 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.935 -179.699 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -96.89 -16.12 20.87 Favored 'General case' 0 C--N 1.324 -0.518 0 CA-C-N 116.255 -0.43 . . . . 0.0 111.335 -179.165 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 94.0 22.53 25.18 Favored Glycine 0 N--CA 1.451 -0.309 0 C-N-CA 121.113 -0.565 . . . . 0.0 112.364 179.557 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 36' ' ' MET . . . . . 0.506 ' HB2' ' HB1' ' A' ' 31' ' ' ALA . 1.1 mtp -130.11 175.46 8.88 Favored 'General case' 0 C--N 1.325 -0.5 0 CA-C-O 120.616 0.246 . . . . 0.0 110.606 -175.825 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 37' ' ' GLN . . . . . 0.452 ' O ' ' HA ' ' A' ' 81' ' ' GLN . 29.4 tt0 -147.92 155.57 41.73 Favored 'General case' 0 C--N 1.326 -0.433 0 N-CA-C 109.591 -0.522 . . . . 0.0 109.591 176.553 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 38' ' ' VAL . . . . . 0.626 ' CG1' ' HB2' ' A' ' 27' ' ' MET . 22.9 m -78.09 144.09 11.81 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.443 0 CA-C-O 120.937 0.398 . . . . 0.0 110.745 178.281 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 39' ' ' PHE . . . . . 0.521 ' O ' HG12 ' A' ' 83' ' ' VAL . 68.7 t80 -127.12 120.59 29.23 Favored 'General case' 0 C--N 1.319 -0.742 0 CA-C-N 116.097 -0.501 . . . . 0.0 109.962 177.269 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 40' ' ' PHE . . . . . . . . . . . . . 64.7 m-85 -124.94 129.08 49.65 Favored 'General case' 0 C--N 1.316 -0.849 0 N-CA-C 109.165 -0.68 . . . . 0.0 109.165 173.637 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 7.5 p-10 -83.79 -171.64 3.71 Favored 'General case' 0 C--N 1.321 -0.661 0 N-CA-C 108.961 -0.755 . . . . 0.0 108.961 175.806 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 42.7 mt-10 -73.3 87.3 1.49 Allowed 'General case' 0 C--N 1.321 -0.643 0 CA-C-O 121.303 0.573 . . . . 0.0 110.71 -177.059 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 43' ' ' VAL . . . . . . . . . . . . . 15.4 m -123.73 152.78 29.23 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.444 0 CA-C-N 115.393 -0.821 . . . . 0.0 110.904 -177.749 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 39.2 ttpt -104.55 91.63 3.96 Favored 'General case' 0 C--N 1.321 -0.646 0 CA-C-N 116.049 -0.523 . . . . 0.0 110.403 179.831 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 45' ' ' LEU . . . . . 0.532 ' O ' HD12 ' A' ' 45' ' ' LEU . 1.1 pp -156.61 125.48 5.93 Favored 'General case' 0 C--N 1.324 -0.513 0 CA-C-O 121.286 0.565 . . . . 0.0 110.633 177.568 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 4.6 p-10 -131.21 162.98 28.75 Favored 'General case' 0 C--N 1.322 -0.592 0 CA-C-N 115.89 -0.596 . . . . 0.0 110.027 -179.809 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 86.36 13.98 67.1 Favored Glycine 0 N--CA 1.449 -0.438 0 C-N-CA 120.497 -0.859 . . . . 0.0 111.526 -179.695 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 48' ' ' MET . . . . . 0.428 ' HB3' HD12 ' A' ' 23' ' ' LEU . 25.4 mmt -88.48 118.71 28.31 Favored 'General case' 0 N--CA 1.448 -0.562 0 N-CA-C 109.198 -0.668 . . . . 0.0 109.198 177.661 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 18.5 pt20 -138.78 166.33 24.7 Favored 'General case' 0 C--N 1.318 -0.773 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.479 -176.786 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -89.52 163.29 15.28 Favored 'General case' 0 C--N 1.32 -0.679 0 CA-C-N 115.751 -0.658 . . . . 0.0 110.357 179.801 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -95.95 174.03 7.14 Favored 'General case' 0 C--N 1.322 -0.596 0 CA-C-N 116.02 -0.536 . . . . 0.0 110.054 176.117 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -70.45 109.02 4.55 Favored 'General case' 0 C--N 1.325 -0.476 0 CA-C-O 121.017 0.437 . . . . 0.0 110.696 -179.263 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 53' ' ' LEU . . . . . 0.456 ' HB3' ' HB ' ' A' ' 18' ' ' ILE . 2.3 tm? -108.04 118.15 35.99 Favored 'General case' 0 C--N 1.322 -0.617 0 CA-C-N 115.873 -0.603 . . . . 0.0 109.604 -177.868 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 54' ' ' ASN . . . . . . . . . . . . . 56.3 t30 -152.78 98.53 2.35 Favored 'General case' 0 C--N 1.322 -0.6 0 CA-C-O 120.83 0.348 . . . . 0.0 110.261 176.461 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . 177.56 173.71 43.29 Favored Glycine 0 N--CA 1.449 -0.458 0 C-N-CA 120.829 -0.7 . . . . 0.0 112.427 178.73 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 20.9 m -99.19 106.4 18.57 Favored 'General case' 0 C--N 1.323 -0.577 0 N-CA-C 109.356 -0.609 . . . . 0.0 109.356 174.455 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 57' ' ' MET . . . . . 0.43 ' HB2' ' HB2' ' A' ' 61' ' ' GLN . 23.0 ptp -150.72 174.89 12.51 Favored 'General case' 0 C--N 1.323 -0.546 0 CA-C-N 116.351 -0.386 . . . . 0.0 110.633 -173.953 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 14.8 m -100.89 177.96 4.82 Favored 'General case' 0 C--N 1.323 -0.568 0 CA-C-N 116.363 -0.381 . . . . 0.0 110.764 -177.703 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 59' ' ' VAL . . . . . . . . . . . . . 11.3 p -52.76 -45.46 49.57 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.267 0 O-C-N 123.279 0.362 . . . . 0.0 111.951 -175.777 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 60' ' ' GLU . . . . . 0.686 ' O ' ' HG3' ' A' ' 64' ' ' ARG . 19.8 mt-10 -56.09 -65.31 0.62 Allowed 'General case' 0 C--N 1.325 -0.465 0 CA-C-N 116.507 -0.315 . . . . 0.0 111.145 179.393 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 61' ' ' GLN . . . . . 0.43 ' HB2' ' HB2' ' A' ' 57' ' ' MET . 25.3 mp0 -55.87 -36.96 68.16 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.967 -176.46 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . -60.16 -62.27 6.23 Favored Glycine 0 N--CA 1.446 -0.695 0 CA-C-N 115.835 -0.62 . . . . 0.0 112.22 177.967 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 63' ' ' LEU . . . . . 0.566 HD21 ' CE2' ' A' ' 30' ' ' PHE . 4.3 mm? -65.37 -22.21 66.78 Favored 'General case' 0 C--O 1.236 0.371 0 N-CA-C 111.637 0.236 . . . . 0.0 111.637 -176.168 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 64' ' ' ARG . . . . . 0.686 ' HG3' ' O ' ' A' ' 60' ' ' GLU . 99.2 mtt180 -63.17 -51.24 67.19 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.95 0.405 . . . . 0.0 110.487 176.373 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 65' ' ' ARG . . . . . . . . . . . . . 19.3 ttm180 -81.0 -28.75 35.36 Favored 'General case' 0 C--N 1.323 -0.56 0 CA-C-N 115.842 -0.617 . . . . 0.0 110.306 -178.371 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 66' ' ' LEU . . . . . 0.491 ' HB2' ' HA ' ' A' ' 63' ' ' LEU . 10.7 mt -70.68 -50.06 40.58 Favored 'General case' 0 C--N 1.323 -0.566 0 CA-C-N 115.263 -0.881 . . . . 0.0 112.819 -176.655 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 67' ' ' ILE . . . . . 0.473 HD11 HD12 ' A' ' 63' ' ' LEU . 58.1 mt -88.73 -64.11 1.2 Allowed 'Isoleucine or valine' 0 C--N 1.331 -0.232 0 N-CA-C 113.097 0.777 . . . . 0.0 113.097 -170.168 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . -114.2 -62.69 0.41 Allowed Glycine 0 N--CA 1.448 -0.519 0 C-N-CA 119.089 -1.529 . . . . 0.0 114.614 -170.886 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . 87.58 -21.96 19.39 Favored Glycine 0 CA--C 1.52 0.371 0 N-CA-C 110.401 -1.079 . . . . 0.0 110.401 -167.353 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 70' ' ' ASN . . . . . . . . . . . . . 26.9 p-10 -101.57 168.96 8.32 Favored Pre-proline 0 C--N 1.327 -0.39 0 C-N-CA 123.32 0.648 . . . . 0.0 109.47 176.781 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 71' ' ' PRO . . . . . . . . . . . . . 27.6 Cg_exo -63.35 97.87 0.21 Allowed 'Trans proline' 0 C--N 1.351 0.683 0 C-N-CA 122.341 2.027 . . . . 0.0 112.876 -179.343 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 72' ' ' VAL . . . . . . . . . . . . . 43.6 t -143.8 159.87 16.3 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.577 0 N-CA-C 107.515 -1.291 . . . . 0.0 107.515 176.875 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -117.19 132.23 56.69 Favored 'General case' 0 C--N 1.319 -0.719 0 C-N-CA 120.646 -0.421 . . . . 0.0 111.01 178.809 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 74' ' ' PHE . . . . . . . . . . . . . 23.0 p90 -106.18 126.85 52.72 Favored 'General case' 0 C--N 1.32 -0.715 0 CA-C-O 121.446 0.641 . . . . 0.0 110.238 175.481 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 75' ' ' ARG . . . . . . . . . . . . . 20.4 tpp180 -90.17 111.03 22.04 Favored 'General case' 0 C--N 1.319 -0.721 0 CA-C-N 115.183 -0.917 . . . . 0.0 110.347 -177.837 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 76' ' ' LEU . . . . . . . . . . . . . 87.9 mt -92.66 98.92 11.73 Favored 'General case' 0 C--N 1.319 -0.72 0 N-CA-C 109.461 -0.57 . . . . 0.0 109.461 175.872 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 77' ' ' GLN . . . . . 0.428 ' HA ' ' HD3' ' A' ' 78' ' ' PRO . 79.6 mt-30 -85.39 127.92 61.57 Favored Pre-proline 0 C--N 1.321 -0.672 0 CA-C-N 116.072 -0.513 . . . . 0.0 110.449 -178.954 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 78' ' ' PRO . . . . . 0.428 ' HD3' ' HA ' ' A' ' 77' ' ' GLN . 32.4 Cg_exo -58.76 -15.94 28.77 Favored 'Trans proline' 0 C--N 1.348 0.534 0 C-N-CA 123.249 2.633 . . . . 0.0 112.634 178.344 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 79' ' ' GLN . . . . . . . . . . . . . 93.3 mt-30 -78.47 -4.34 47.99 Favored 'General case' 0 C--O 1.234 0.288 0 CA-C-O 121.06 0.457 . . . . 0.0 110.701 177.073 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . 91.26 44.32 4.4 Favored Glycine 0 N--CA 1.444 -0.788 0 C-N-CA 120.967 -0.635 . . . . 0.0 112.737 177.887 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 81' ' ' GLN . . . . . 0.452 ' HA ' ' O ' ' A' ' 37' ' ' GLN . 76.4 mt-30 -132.63 140.7 48.32 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-O 120.698 0.285 . . . . 0.0 110.918 178.332 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 82' ' ' ILE . . . . . . . . . . . . . 43.6 mt -118.62 115.28 47.61 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.394 0 CA-C-N 115.886 -0.597 . . . . 0.0 109.864 175.688 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 83' ' ' VAL . . . . . 0.521 HG12 ' O ' ' A' ' 39' ' ' PHE . 26.9 m -130.92 165.59 30.9 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.387 0 N-CA-C 109.639 -0.504 . . . . 0.0 109.639 177.734 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 84' ' ' LEU . . . . . . . . . . . . . 11.1 mp -104.61 137.97 41.64 Favored 'General case' 0 C--N 1.324 -0.527 0 CA-C-O 121.108 0.48 . . . . 0.0 111.404 -178.273 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 85' ' ' SER . . . . . . . . . . . . . 31.9 m -126.12 152.01 46.49 Favored 'General case' 0 C--N 1.32 -0.699 0 CA-C-N 115.648 -0.705 . . . . 0.0 109.863 179.121 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 86' ' ' ARG . . . . . . . . . . . . . 13.3 ptm180 -101.44 83.35 2.44 Favored 'General case' 0 C--N 1.325 -0.49 0 CA-C-O 121.425 0.631 . . . . 0.0 111.466 -179.007 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 87' ' ' LEU . . . . . . . . . . . . . 4.4 mm? . . . . . 0 C--N 1.323 -0.586 0 N-CA-C 109.736 -0.468 . . . . 0.0 109.736 175.71 . . . . . . . . 0 0 . 1 . 006 nuclear build core ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 6.1 tp-100 . . . . . 0 N--CA 1.458 -0.072 0 CA-C-O 120.887 0.375 . . . . 0.0 110.614 . . . . . . . . . 0 0 . 1 . 006 nuclear build core ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 70.7 mt-30 -121.88 135.32 54.88 Favored 'General case' 0 C--N 1.324 -0.527 0 CA-C-N 116.378 -0.374 . . . . 0.0 110.283 177.489 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 14' ' ' LYS . . . . . 0.424 ' O ' ' HA ' ' A' ' 56' ' ' SER . 70.9 mmtt -132.24 158.17 42.46 Favored 'General case' 0 C--N 1.321 -0.649 0 CA-C-N 116.083 -0.508 . . . . 0.0 110.555 -179.639 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 15' ' ' ASN . . . . . . . . . . . . . 22.4 t-20 -83.87 113.63 21.08 Favored 'General case' 0 C--N 1.324 -0.542 0 CA-C-N 115.76 -0.655 . . . . 0.0 109.816 176.497 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 16' ' ' PHE . . . . . 0.478 ' CE1' ' HE1' ' A' ' 30' ' ' PHE . 18.7 m-85 -99.57 135.11 41.48 Favored 'General case' 0 C--N 1.322 -0.614 0 CA-C-N 116.278 -0.419 . . . . 0.0 110.599 -177.163 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 16.4 m120 -127.48 88.63 2.82 Favored 'General case' 0 C--N 1.325 -0.489 0 N-CA-C 108.726 -0.842 . . . . 0.0 108.726 176.387 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 18' ' ' ILE . . . . . 0.508 HG21 HD11 ' A' ' 66' ' ' LEU . 15.5 mm -120.24 107.46 20.93 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.544 0 C-N-CA 120.933 -0.307 . . . . 0.0 111.069 -177.375 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -75.14 161.41 29.42 Favored 'General case' 0 C--N 1.326 -0.451 0 N-CA-C 108.557 -0.905 . . . . 0.0 108.557 168.837 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -69.55 102.2 1.78 Allowed 'General case' 0 C--N 1.328 -0.364 0 CA-C-O 121.478 0.656 . . . . 0.0 110.683 -175.878 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 21' ' ' GLN . . . . . . . . . . . . . 68.9 mt-30 -106.53 174.49 2.54 Favored Pre-proline 0 C--N 1.321 -0.667 0 CA-C-N 114.907 -1.042 . . . . 0.0 110.125 177.545 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 22' ' ' PRO . . . . . . . . . . . . . 21.9 Cg_exo -66.69 144.78 73.31 Favored 'Trans proline' 0 N--CA 1.462 -0.358 0 C-N-CA 121.967 1.778 . . . . 0.0 109.894 164.692 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -52.44 -45.69 66.09 Favored 'General case' 0 C--N 1.327 -0.386 0 N-CA-C 112.733 0.642 . . . . 0.0 112.733 -167.994 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 24' ' ' GLN . . . . . 0.742 ' O ' ' HG ' ' A' ' 28' ' ' LEU . 49.1 mt-30 -55.69 -63.93 1.01 Allowed 'General case' 0 C--N 1.332 -0.172 0 C-N-CA 120.506 -0.478 . . . . 0.0 110.32 177.52 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 70.4 m -56.37 -32.16 64.5 Favored 'General case' 0 C--O 1.232 0.179 0 CA-C-N 116.28 -0.418 . . . . 0.0 111.829 -178.804 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -55.85 -54.19 47.56 Favored 'General case' 0 CA--C 1.517 -0.31 0 CA-C-O 121.475 0.655 . . . . 0.0 110.498 178.511 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 27' ' ' MET . . . . . 0.562 ' CB ' ' HB ' ' A' ' 38' ' ' VAL . 21.5 mmt -79.07 -23.03 44.47 Favored 'General case' 0 C--N 1.319 -0.738 0 CA-C-N 115.314 -0.857 . . . . 0.0 110.686 -177.67 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 28' ' ' LEU . . . . . 0.742 ' HG ' ' O ' ' A' ' 24' ' ' GLN . 79.5 mt -64.83 -32.28 73.9 Favored 'General case' 0 C--N 1.324 -0.53 0 C-N-CA 120.302 -0.559 . . . . 0.0 109.555 175.025 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 19.3 mmm180 -84.72 -41.49 16.17 Favored 'General case' 0 C--N 1.332 -0.176 0 CA-C-N 116.075 -0.511 . . . . 0.0 111.37 178.266 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 30' ' ' PHE . . . . . 0.478 ' HE1' ' CE1' ' A' ' 16' ' ' PHE . 22.0 t80 -71.52 -56.41 5.95 Favored 'General case' 0 C--N 1.322 -0.591 0 CA-C-O 121.086 0.47 . . . . 0.0 111.196 179.925 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 31' ' ' ALA . . . . . 0.405 ' HB1' ' HB2' ' A' ' 36' ' ' MET . . . -68.9 -26.99 65.39 Favored 'General case' 0 N--CA 1.446 -0.652 0 CA-C-N 116.036 -0.529 . . . . 0.0 111.631 -172.208 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 9.4 pt-20 -63.12 -29.82 71.1 Favored 'General case' 0 N--CA 1.465 0.324 0 C-N-CA 120.086 -0.645 . . . . 0.0 110.15 178.412 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 33' ' ' GLN . . . . . . . . . . . . . 15.3 mm100 -78.97 -17.32 55.64 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 115.848 -0.615 . . . . 0.0 110.198 178.135 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -104.66 4.81 33.04 Favored 'General case' 0 C--N 1.325 -0.474 0 CA-C-N 115.69 -0.686 . . . . 0.0 111.285 -179.991 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 74.52 32.61 57.44 Favored Glycine 0 C--N 1.332 0.327 0 C-N-CA 121.304 -0.474 . . . . 0.0 112.754 178.961 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 36' ' ' MET . . . . . 0.405 ' HB2' ' HB1' ' A' ' 31' ' ' ALA . 70.9 mtp -140.57 176.05 9.1 Favored 'General case' 0 C--N 1.324 -0.526 0 CA-C-O 120.583 0.23 . . . . 0.0 110.504 -176.879 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 37' ' ' GLN . . . . . 0.509 ' O ' ' HA ' ' A' ' 81' ' ' GLN . 23.7 tt0 -146.35 149.87 34.62 Favored 'General case' 0 C--N 1.324 -0.506 0 N-CA-C 108.976 -0.75 . . . . 0.0 108.976 173.124 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 38' ' ' VAL . . . . . 0.562 ' HB ' ' CB ' ' A' ' 27' ' ' MET . 12.4 p -78.62 144.63 10.85 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 CA-C-O 120.777 0.322 . . . . 0.0 110.616 -179.103 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 39' ' ' PHE . . . . . . . . . . . . . 66.3 t80 -114.17 127.25 55.82 Favored 'General case' 0 C--N 1.324 -0.536 0 CA-C-N 116.031 -0.531 . . . . 0.0 110.43 -177.144 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 40' ' ' PHE . . . . . . . . . . . . . 38.2 m-85 -118.84 112.31 19.52 Favored 'General case' 0 C--N 1.324 -0.534 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.922 178.092 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 5.8 p-10 -94.36 -147.6 0.26 Allowed 'General case' 0 C--N 1.323 -0.558 0 N-CA-C 108.594 -0.891 . . . . 0.0 108.594 170.211 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 43.5 mt-10 -74.28 87.74 1.99 Allowed 'General case' 0 C--N 1.323 -0.554 0 CA-C-O 121.663 0.744 . . . . 0.0 109.903 176.12 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 43' ' ' VAL . . . . . . . . . . . . . 21.0 m -129.4 -165.23 0.44 Allowed 'Isoleucine or valine' 0 C--N 1.32 -0.681 0 CA-C-N 115.364 -0.835 . . . . 0.0 110.134 -176.106 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 17.3 ptpt -58.42 150.39 22.5 Favored 'General case' 0 C--N 1.326 -0.449 0 CA-C-O 121.092 0.473 . . . . 0.0 110.955 176.568 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 58.5 tp -62.27 128.07 34.33 Favored 'General case' 0 C--N 1.323 -0.575 0 CA-C-N 115.481 -0.781 . . . . 0.0 109.97 176.884 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 21.7 t70 -59.96 154.76 18.13 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-O 121.112 0.482 . . . . 0.0 110.536 177.904 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 123.75 -11.12 8.39 Favored Glycine 0 N--CA 1.446 -0.667 0 N-CA-C 109.948 -1.261 . . . . 0.0 109.948 -169.641 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 48' ' ' MET . . . . . . . . . . . . . 15.1 tpt -56.92 127.14 30.31 Favored 'General case' 0 N--CA 1.452 -0.36 0 CA-C-N 114.76 -0.72 . . . . 0.0 109.909 172.727 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 36.0 tt0 -75.76 130.63 38.95 Favored 'General case' 0 C--N 1.32 -0.712 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.525 -179.055 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -83.15 142.65 31.06 Favored 'General case' 0 C--N 1.32 -0.704 0 CA-C-N 115.859 -0.61 . . . . 0.0 109.726 176.394 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -70.66 152.89 43.37 Favored 'General case' 0 C--N 1.323 -0.568 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.655 -178.514 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -71.77 90.2 1.07 Allowed 'General case' 0 C--N 1.323 -0.56 0 CA-C-N 115.848 -0.614 . . . . 0.0 110.702 -179.03 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 64.1 tp -93.17 110.82 22.33 Favored 'General case' 0 C--N 1.323 -0.571 0 CA-C-N 115.855 -0.611 . . . . 0.0 110.781 -178.837 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 54' ' ' ASN . . . . . 0.467 ' HA ' ' O ' ' A' ' 16' ' ' PHE . 10.3 t30 -144.28 99.08 3.32 Favored 'General case' 0 C--N 1.32 -0.703 0 CA-C-N 115.98 -0.555 . . . . 0.0 109.809 178.456 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . 179.48 177.37 47.75 Favored Glycine 0 N--CA 1.446 -0.658 0 CA-C-N 115.811 -0.631 . . . . 0.0 111.715 -179.042 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 56' ' ' SER . . . . . 0.424 ' HA ' ' O ' ' A' ' 14' ' ' LYS . 28.2 p -112.38 111.09 21.69 Favored 'General case' 0 C--N 1.322 -0.613 0 CA-C-N 116.728 0.264 . . . . 0.0 110.934 179.535 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 57' ' ' MET . . . . . 0.528 ' HB2' ' OE1' ' A' ' 61' ' ' GLN . 22.4 ptt? -167.15 -165.53 0.71 Allowed 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.34 -0.391 . . . . 0.0 110.424 178.621 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 57.9 m -89.48 162.01 15.94 Favored 'General case' 0 C--N 1.326 -0.44 0 N-CA-C 111.962 0.356 . . . . 0.0 111.962 -175.067 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 59' ' ' VAL . . . . . . . . . . . . . 61.4 t -64.28 -38.7 83.21 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.217 0 CA-C-N 116.251 -0.432 . . . . 0.0 109.958 178.358 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 60' ' ' GLU . . . . . 0.485 ' O ' ' HG3' ' A' ' 64' ' ' ARG . 24.3 mm-40 -52.07 -34.96 46.04 Favored 'General case' 0 C--N 1.331 -0.204 0 CA-C-N 115.315 -0.857 . . . . 0.0 111.27 177.109 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 61' ' ' GLN . . . . . 0.528 ' OE1' ' HB2' ' A' ' 57' ' ' MET . 79.7 mt-30 -91.03 -40.84 11.41 Favored 'General case' 0 C--N 1.322 -0.63 0 CA-C-N 115.796 -0.638 . . . . 0.0 111.181 -178.061 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . -63.92 -50.16 62.81 Favored Glycine 0 C--O 1.226 -0.354 0 C-N-CA 121.135 -0.555 . . . . 0.0 112.677 -178.633 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 63' ' ' LEU . . . . . 0.46 ' CD1' HD11 ' A' ' 67' ' ' ILE . 0.2 OUTLIER -56.02 -38.86 71.08 Favored 'General case' 0 C--N 1.328 -0.355 0 C-N-CA 122.74 0.416 . . . . 0.0 110.813 -176.478 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 64' ' ' ARG . . . . . 0.485 ' HG3' ' O ' ' A' ' 60' ' ' GLU . 35.8 mtp-105 -55.09 -60.34 3.52 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 115.677 -0.692 . . . . 0.0 111.27 178.102 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 65' ' ' ARG . . . . . 0.504 ' HA ' ' HA2' ' A' ' 69' ' ' GLY . 99.2 mtt180 -73.52 -30.76 63.3 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 115.716 -0.674 . . . . 0.0 111.247 -175.15 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 66' ' ' LEU . . . . . 0.508 HD11 HG21 ' A' ' 18' ' ' ILE . 20.2 tp -62.44 -36.22 81.72 Favored 'General case' 0 C--N 1.325 -0.499 0 CA-C-N 115.877 -0.601 . . . . 0.0 111.091 -177.2 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 67' ' ' ILE . . . . . 0.46 HD11 ' CD1' ' A' ' 63' ' ' LEU . 54.0 mt -90.21 -65.65 0.97 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 C-N-CA 120.524 -0.47 . . . . 0.0 110.874 179.038 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . -117.53 -53.96 0.31 Allowed Glycine 0 N--CA 1.45 -0.399 0 C-N-CA 120.96 -0.638 . . . . 0.0 113.612 -177.177 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 69' ' ' GLY . . . . . 0.504 ' HA2' ' HA ' ' A' ' 65' ' ' ARG . . . 103.24 4.61 47.2 Favored Glycine 0 N--CA 1.45 -0.413 0 N-CA-C 110.571 -1.012 . . . . 0.0 110.571 -168.199 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 70' ' ' ASN . . . . . . . . . . . . . 2.7 m-20 -100.59 159.33 29.95 Favored Pre-proline 0 C--N 1.327 -0.376 0 CA-C-N 115.072 -0.564 . . . . 0.0 110.284 -177.299 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 71' ' ' PRO . . . . . . . . . . . . . 12.5 Cg_exo -70.41 109.34 2.41 Favored 'Trans proline' 0 C--N 1.344 0.335 0 C-N-CA 122.637 2.224 . . . . 0.0 111.019 173.062 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 72' ' ' VAL . . . . . . . . . . . . . 11.6 p -149.4 161.77 4.75 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.555 0 N-CA-C 109.575 -0.528 . . . . 0.0 109.575 -172.226 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 73' ' ' ALA . . . . . 0.501 ' CB ' HD12 ' A' ' 87' ' ' LEU . . . -110.61 118.8 37.2 Favored 'General case' 0 N--CA 1.444 -0.737 0 CA-C-O 121.09 0.471 . . . . 0.0 110.256 -176.635 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 74' ' ' PHE . . . . . 0.413 ' HB3' HD12 ' A' ' 84' ' ' LEU . 13.9 p90 -120.39 119.29 32.65 Favored 'General case' 0 C--N 1.314 -0.977 0 N-CA-C 109.521 -0.548 . . . . 0.0 109.521 179.499 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 75' ' ' ARG . . . . . . . . . . . . . 87.2 mtm180 -87.42 109.06 19.3 Favored 'General case' 0 C--N 1.316 -0.873 0 CA-C-N 115.704 -0.68 . . . . 0.0 110.963 -174.997 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 76' ' ' LEU . . . . . . . . . . . . . 82.0 mt -85.38 98.21 10.43 Favored 'General case' 0 C--N 1.32 -0.675 0 CA-C-N 115.365 -0.834 . . . . 0.0 108.824 174.4 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 77' ' ' GLN . . . . . . . . . . . . . 24.0 mt-30 -76.78 140.69 67.64 Favored Pre-proline 0 C--N 1.322 -0.62 0 CA-C-N 115.957 -0.565 . . . . 0.0 110.511 -176.273 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 78' ' ' PRO . . . . . . . . . . . . . 34.2 Cg_endo -65.48 -6.68 14.1 Favored 'Trans proline' 0 C--N 1.345 0.384 0 C-N-CA 123.162 2.575 . . . . 0.0 111.791 176.783 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 79' ' ' GLN . . . . . . . . . . . . . 77.7 mt-30 -80.77 -2.92 49.05 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 115.669 -0.696 . . . . 0.0 109.826 173.55 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . 84.05 38.88 9.74 Favored Glycine 0 N--CA 1.445 -0.724 0 CA-C-N 115.565 -0.743 . . . . 0.0 112.258 179.53 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 81' ' ' GLN . . . . . 0.509 ' HA ' ' O ' ' A' ' 37' ' ' GLN . 29.0 mm-40 -128.85 140.6 51.62 Favored 'General case' 0 C--N 1.326 -0.428 0 CA-C-N 116.717 0.258 . . . . 0.0 110.85 -178.133 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 82' ' ' ILE . . . . . 0.414 ' HB ' ' HA ' ' A' ' 38' ' ' VAL . 52.2 mt -108.41 111.71 37.17 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.428 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.246 177.808 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 83' ' ' VAL . . . . . . . . . . . . . 49.0 t -117.86 112.09 37.12 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 CA-C-N 116.432 -0.349 . . . . 0.0 110.829 -179.371 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 84' ' ' LEU . . . . . 0.413 HD12 ' HB3' ' A' ' 74' ' ' PHE . 26.7 tp -78.28 142.46 37.79 Favored 'General case' 0 C--N 1.324 -0.511 0 N-CA-C 109.407 -0.59 . . . . 0.0 109.407 176.847 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 85' ' ' SER . . . . . . . . . . . . . 41.2 m -152.08 172.57 16.11 Favored 'General case' 0 N--CA 1.448 -0.571 0 CA-C-O 121.049 0.452 . . . . 0.0 110.458 -176.802 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 86' ' ' ARG . . . . . . . . . . . . . 48.2 ttp180 -122.89 133.42 54.41 Favored 'General case' 0 C--N 1.318 -0.766 0 N-CA-C 109.177 -0.675 . . . . 0.0 109.177 177.709 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 87' ' ' LEU . . . . . 0.501 HD12 ' CB ' ' A' ' 73' ' ' ALA . 15.0 mt . . . . . 0 C--N 1.317 -0.826 0 CA-C-N 116.383 -0.372 . . . . 0.0 111.015 -175.557 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 26.9 tp60 . . . . . 0 N--CA 1.455 -0.223 0 CA-C-O 120.893 0.378 . . . . 0.0 110.365 . . . . . . . . . 0 0 . 1 . 007 nuclear build core ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 85.7 mt-30 -89.79 146.06 24.74 Favored 'General case' 0 C--N 1.323 -0.583 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.575 178.153 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 14' ' ' LYS . . . . . 0.5 ' HB2' ' CZ ' ' A' ' 16' ' ' PHE . 35.0 mmtp -130.72 156.85 44.25 Favored 'General case' 0 C--N 1.324 -0.512 0 N-CA-C 109.614 -0.513 . . . . 0.0 109.614 177.073 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 15' ' ' ASN . . . . . . . . . . . . . 81.8 m-20 -81.79 99.75 9.16 Favored 'General case' 0 C--N 1.325 -0.494 0 CA-C-N 116.336 -0.393 . . . . 0.0 110.336 -179.254 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 16' ' ' PHE . . . . . 0.5 ' CZ ' ' HB2' ' A' ' 14' ' ' LYS . 47.0 m-85 -104.64 141.06 37.1 Favored 'General case' 0 C--N 1.324 -0.514 0 CA-C-O 120.964 0.411 . . . . 0.0 110.687 -179.632 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 5.4 t30 -150.98 98.71 2.62 Favored 'General case' 0 C--N 1.323 -0.557 0 CA-C-N 116.002 -0.544 . . . . 0.0 109.733 177.85 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 18' ' ' ILE . . . . . . . . . . . . . 35.6 mt -128.37 117.46 45.31 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.533 0 CA-C-O 120.755 0.312 . . . . 0.0 110.894 -176.07 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -64.32 142.15 58.52 Favored 'General case' 0 C--N 1.327 -0.413 0 N-CA-C 109.24 -0.652 . . . . 0.0 109.24 172.328 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -63.51 103.99 0.59 Allowed 'General case' 0 C--N 1.328 -0.367 0 CA-C-O 121.356 0.598 . . . . 0.0 111.088 -175.318 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 21' ' ' GLN . . . . . 0.417 ' HB3' ' HD2' ' A' ' 22' ' ' PRO . 79.3 mt-30 -103.92 173.72 3.22 Favored Pre-proline 0 C--N 1.321 -0.642 0 CA-C-N 115.032 -0.985 . . . . 0.0 109.748 176.468 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 22' ' ' PRO . . . . . 0.472 ' HA ' ' O ' ' A' ' 48' ' ' MET . 47.5 Cg_exo -57.57 135.44 69.61 Favored 'Trans proline' 0 N--CA 1.46 -0.454 0 C-N-CA 121.559 1.506 . . . . 0.0 110.22 167.097 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 54.8 tp -48.59 -44.41 36.9 Favored 'General case' 0 C--O 1.237 0.423 0 N-CA-C 112.304 0.483 . . . . 0.0 112.304 -168.931 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 24' ' ' GLN . . . . . 0.455 ' O ' ' HB2' ' A' ' 28' ' ' LEU . 49.4 mt-30 -61.61 -33.33 73.73 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.596 -179.493 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 25' ' ' SER . . . . . 0.404 ' O ' ' HG2' ' A' ' 29' ' ' ARG . 32.7 t -87.87 -28.1 21.79 Favored 'General case' 0 C--N 1.325 -0.486 0 CA-C-O 120.91 0.386 . . . . 0.0 110.247 179.444 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -61.76 -56.4 19.96 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 115.944 -0.571 . . . . 0.0 110.872 179.93 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 27' ' ' MET . . . . . 0.759 ' SD ' ' HB ' ' A' ' 38' ' ' VAL . 35.7 mtt -71.52 -24.65 62.0 Favored 'General case' 0 C--O 1.217 -0.644 0 CA-C-N 116.268 -0.423 . . . . 0.0 110.456 178.954 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 28' ' ' LEU . . . . . 0.455 ' HB2' ' O ' ' A' ' 24' ' ' GLN . 9.6 tt -56.84 -36.09 69.61 Favored 'General case' 0 C--N 1.319 -0.73 0 N-CA-C 109.649 -0.5 . . . . 0.0 109.649 176.1 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 29' ' ' ARG . . . . . 0.404 ' HG2' ' O ' ' A' ' 25' ' ' SER . 29.2 mmm180 -70.37 -55.72 8.42 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 115.947 -0.569 . . . . 0.0 111.686 179.888 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 21.0 t80 -80.4 -49.91 10.83 Favored 'General case' 0 C--N 1.327 -0.397 0 N-CA-C 112.176 0.436 . . . . 0.0 112.176 -175.56 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -65.77 -26.78 67.87 Favored 'General case' 0 C--N 1.323 -0.584 0 CA-C-N 116.352 -0.386 . . . . 0.0 111.994 -170.444 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 7.5 pt-20 -62.21 -32.14 72.77 Favored 'General case' 0 N--CA 1.465 0.304 0 C-N-CA 120.065 -0.654 . . . . 0.0 110.374 176.422 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 33' ' ' GLN . . . . . . . . . . . . . 48.4 mt-30 -77.65 -14.25 59.68 Favored 'General case' 0 C--N 1.331 -0.239 0 CA-C-O 121.324 0.583 . . . . 0.0 109.855 178.373 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -106.88 5.93 28.86 Favored 'General case' 0 C--N 1.325 -0.489 0 CA-C-N 115.622 -0.717 . . . . 0.0 110.841 178.764 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 67.9 32.96 78.43 Favored Glycine 0 CA--C 1.519 0.323 0 CA-C-N 116.004 -0.543 . . . . 0.0 112.796 178.09 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 36' ' ' MET . . . . . . . . . . . . . 73.8 mtm -139.3 175.04 9.9 Favored 'General case' 0 C--N 1.323 -0.569 0 CA-C-O 120.776 0.322 . . . . 0.0 110.612 -178.866 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 37' ' ' GLN . . . . . . . . . . . . . 54.4 tt0 -150.8 158.41 44.12 Favored 'General case' 0 C--N 1.322 -0.608 0 N-CA-C 108.596 -0.89 . . . . 0.0 108.596 177.004 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 38' ' ' VAL . . . . . 0.759 ' HB ' ' SD ' ' A' ' 27' ' ' MET . 2.9 p -77.23 127.67 38.11 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.395 0 CA-C-O 121.212 0.529 . . . . 0.0 110.936 -176.092 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 39' ' ' PHE . . . . . . . . . . . . . 37.3 t80 -119.2 139.54 51.68 Favored 'General case' 0 C--N 1.324 -0.514 0 CA-C-N 115.582 -0.735 . . . . 0.0 109.508 -178.61 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 40' ' ' PHE . . . . . . . . . . . . . 25.3 p90 -143.25 131.77 22.34 Favored 'General case' 0 C--N 1.32 -0.677 0 CA-C-O 121.114 0.483 . . . . 0.0 110.601 -178.454 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 6.3 m-20 -82.36 -70.6 0.54 Allowed 'General case' 0 CA--C 1.515 -0.396 0 CA-C-N 115.53 -0.759 . . . . 0.0 110.57 -179.721 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 35.7 mt-10 -115.96 86.58 2.51 Favored 'General case' 0 C--N 1.319 -0.736 0 CA-C-N 115.801 -0.636 . . . . 0.0 109.838 -179.333 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 43' ' ' VAL . . . . . . . . . . . . . 98.4 t -145.24 109.99 1.04 Allowed 'Isoleucine or valine' 0 C--N 1.323 -0.568 0 CA-C-N 115.357 -0.838 . . . . 0.0 109.255 178.787 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 25.9 ttpp -125.9 88.69 2.9 Favored 'General case' 0 C--N 1.321 -0.637 0 CA-C-O 121.223 0.535 . . . . 0.0 110.062 -179.356 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 4.3 tt -140.97 99.82 3.68 Favored 'General case' 0 C--N 1.32 -0.68 0 N-CA-C 108.192 -1.04 . . . . 0.0 108.192 176.94 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 17.1 m-20 -64.01 116.39 5.83 Favored 'General case' 0 C--N 1.322 -0.602 0 CA-C-N 115.695 -0.684 . . . . 0.0 110.814 -176.224 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 86.16 22.06 49.91 Favored Glycine 0 N--CA 1.448 -0.554 0 C-N-CA 120.964 -0.636 . . . . 0.0 112.554 179.151 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 48' ' ' MET . . . . . 0.472 ' O ' ' HA ' ' A' ' 22' ' ' PRO . 27.6 ttt -50.42 120.07 4.28 Favored 'General case' 0 N--CA 1.465 0.302 0 C-N-CA 122.687 0.395 . . . . 0.0 110.905 -179.902 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 28.5 tt0 -106.0 147.56 28.71 Favored 'General case' 0 C--N 1.324 -0.519 0 CA-C-O 120.804 0.335 . . . . 0.0 110.742 -174.904 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -88.21 -169.42 2.56 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-N 116.006 -0.543 . . . . 0.0 110.406 177.198 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -105.36 174.46 5.87 Favored 'General case' 0 C--N 1.325 -0.499 0 CA-C-O 120.844 0.354 . . . . 0.0 110.76 -178.95 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -77.17 93.41 3.92 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.078 -0.51 . . . . 0.0 111.077 -179.714 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 53' ' ' LEU . . . . . 0.421 HD13 ' C ' ' A' ' 53' ' ' LEU . 3.4 tm? -82.99 108.64 16.45 Favored 'General case' 0 C--N 1.324 -0.522 0 CA-C-N 115.79 -0.641 . . . . 0.0 110.001 179.318 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 54' ' ' ASN . . . . . . . . . . . . . 17.3 m120 -144.22 99.09 3.32 Favored 'General case' 0 C--N 1.325 -0.499 0 N-CA-C 109.57 -0.53 . . . . 0.0 109.57 176.53 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . 178.86 159.84 23.83 Favored Glycine 0 N--CA 1.449 -0.436 0 C-N-CA 119.893 -1.146 . . . . 0.0 113.222 -179.771 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 22.8 t -102.91 99.64 9.57 Favored 'General case' 0 C--N 1.323 -0.577 0 N-CA-C 109.174 -0.676 . . . . 0.0 109.174 175.024 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 57' ' ' MET . . . . . . . . . . . . . 18.0 ptp -151.21 -175.99 5.38 Favored 'General case' 0 C--N 1.323 -0.546 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.518 -175.558 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 15.2 m -87.35 177.65 7.07 Favored 'General case' 0 C--N 1.322 -0.595 0 C-N-CA 121.229 -0.188 . . . . 0.0 110.635 -177.881 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 59' ' ' VAL . . . . . . . . . . . . . 9.7 p -63.03 -39.14 84.08 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.386 0 CA-C-O 120.96 0.41 . . . . 0.0 110.419 -178.143 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 60' ' ' GLU . . . . . 0.564 ' HA ' ' CZ ' ' A' ' 74' ' ' PHE . 2.6 mp0 -58.05 -59.51 5.17 Favored 'General case' 0 C--N 1.325 -0.48 0 CA-C-N 115.515 -0.766 . . . . 0.0 111.378 -179.988 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 61' ' ' GLN . . . . . . . . . . . . . 82.3 mm-40 -68.85 -35.71 77.27 Favored 'General case' 0 C--N 1.324 -0.543 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.462 -177.905 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . -61.6 -55.41 28.94 Favored Glycine 0 N--CA 1.445 -0.736 0 CA-C-N 115.906 -0.588 . . . . 0.0 112.321 -179.345 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 3.0 mm? -58.68 -40.7 84.29 Favored 'General case' 0 C--N 1.329 -0.322 0 N-CA-C 111.825 0.305 . . . . 0.0 111.825 -177.5 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 64' ' ' ARG . . . . . . . . . . . . . 82.7 mtt180 -63.48 -41.58 98.57 Favored 'General case' 0 C--N 1.325 -0.476 0 CA-C-N 116.66 -0.246 . . . . 0.0 111.06 -178.877 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 65' ' ' ARG . . . . . 0.561 ' HA ' ' HA2' ' A' ' 69' ' ' GLY . 87.8 mtt180 -80.2 -27.27 38.88 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-O 120.889 0.375 . . . . 0.0 111.062 179.176 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 6.7 tt -66.24 -48.95 68.89 Favored 'General case' 0 C--N 1.325 -0.483 0 CA-C-N 115.456 -0.793 . . . . 0.0 110.914 -178.665 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 67' ' ' ILE . . . . . 0.482 HD13 HD12 ' A' ' 84' ' ' LEU . 44.1 mt -79.52 -63.58 1.1 Allowed 'Isoleucine or valine' 0 C--N 1.323 -0.587 0 CA-C-N 116.13 -0.486 . . . . 0.0 111.584 -172.98 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . -114.48 -42.74 0.8 Allowed Glycine 0 N--CA 1.451 -0.333 0 C-N-CA 120.514 -0.851 . . . . 0.0 113.359 -176.869 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 69' ' ' GLY . . . . . 0.561 ' HA2' ' HA ' ' A' ' 65' ' ' ARG . . . 105.78 -8.23 42.8 Favored Glycine 0 N--CA 1.448 -0.546 0 C-N-CA 121.033 -0.603 . . . . 0.0 111.962 -171.126 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 70' ' ' ASN . . . . . 0.413 ' HA ' ' HD3' ' A' ' 71' ' ' PRO . 84.1 m-20 -100.6 156.41 35.23 Favored Pre-proline 0 C--N 1.328 -0.341 0 CA-C-O 120.659 0.266 . . . . 0.0 110.497 -179.353 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 71' ' ' PRO . . . . . 0.413 ' HD3' ' HA ' ' A' ' 70' ' ' ASN . 2.7 Cg_exo -75.67 99.34 1.26 Allowed 'Trans proline' 0 N--CA 1.462 -0.382 0 C-N-CA 122.812 2.342 . . . . 0.0 111.879 177.837 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 72' ' ' VAL . . . . . . . . . . . . . 2.3 t -138.57 160.73 31.01 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.543 0 N-CA-C 107.515 -1.291 . . . . 0.0 107.515 179.189 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -105.96 119.59 39.58 Favored 'General case' 0 N--CA 1.445 -0.693 0 C-N-CA 120.454 -0.498 . . . . 0.0 111.402 -166.019 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 74' ' ' PHE . . . . . 0.564 ' CZ ' ' HA ' ' A' ' 60' ' ' GLU . 21.2 p90 -110.19 146.38 35.65 Favored 'General case' 0 C--N 1.314 -0.948 0 N-CA-C 109.238 -0.653 . . . . 0.0 109.238 178.237 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 75' ' ' ARG . . . . . 0.421 HH11 ' HD2' ' A' ' 75' ' ' ARG . 53.5 mtm180 -119.32 111.46 18.21 Favored 'General case' 0 C--N 1.315 -0.91 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.319 -177.048 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 76' ' ' LEU . . . . . . . . . . . . . 51.3 mt -78.04 99.2 6.01 Favored 'General case' 0 C--N 1.326 -0.446 0 N-CA-C 109.391 -0.596 . . . . 0.0 109.391 178.507 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 77' ' ' GLN . . . . . 0.447 ' C ' ' H ' ' A' ' 79' ' ' GLN . 85.4 mm-40 -78.53 135.94 60.25 Favored Pre-proline 0 C--N 1.32 -0.69 0 CA-C-N 115.905 -0.589 . . . . 0.0 110.832 -176.004 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 78' ' ' PRO . . . . . 0.41 ' HD3' ' HA ' ' A' ' 77' ' ' GLN . 17.0 Cg_exo -68.11 9.4 0.38 Allowed 'Trans proline' 0 C--N 1.347 0.499 0 C-N-CA 123.271 2.648 . . . . 0.0 112.034 175.33 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 79' ' ' GLN . . . . . 0.447 ' H ' ' C ' ' A' ' 77' ' ' GLN . 79.4 mt-30 -99.26 11.89 37.77 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-N 115.511 -0.768 . . . . 0.0 109.85 179.094 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . 76.28 35.5 42.68 Favored Glycine 0 N--CA 1.451 -0.312 0 CA-C-N 115.855 -0.611 . . . . 0.0 112.047 -177.936 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 81' ' ' GLN . . . . . . . . . . . . . 75.7 mt-30 -135.6 127.09 28.7 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-O 120.775 0.322 . . . . 0.0 111.742 -173.949 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 82' ' ' ILE . . . . . . . . . . . . . 48.2 mt -102.82 108.85 25.15 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.705 0 N-CA-C 109.0 -0.741 . . . . 0.0 109.0 171.06 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 83' ' ' VAL . . . . . . . . . . . . . 18.9 m -117.06 141.66 34.41 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.603 0 CA-C-N 116.337 -0.392 . . . . 0.0 110.63 -179.552 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 84' ' ' LEU . . . . . 0.54 HD23 ' N ' ' A' ' 85' ' ' SER . 2.4 tt -107.55 137.66 45.17 Favored 'General case' 0 C--N 1.318 -0.799 0 N-CA-C 109.271 -0.64 . . . . 0.0 109.271 -179.175 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 85' ' ' SER . . . . . 0.54 ' N ' HD23 ' A' ' 84' ' ' LEU . 14.6 m -126.27 138.71 53.63 Favored 'General case' 0 N--CA 1.444 -0.769 0 N-CA-C 109.911 -0.403 . . . . 0.0 109.911 -177.618 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 86' ' ' ARG . . . . . . . . . . . . . 15.3 tpp180 -79.86 73.2 6.63 Favored 'General case' 0 C--N 1.324 -0.527 0 CA-C-O 121.654 0.74 . . . . 0.0 109.576 -179.18 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 87' ' ' LEU . . . . . . . . . . . . . 37.2 mt . . . . . 0 C--N 1.32 -0.704 0 CA-C-N 114.991 -1.004 . . . . 0.0 110.108 -176.253 . . . . . . . . 0 0 . 1 . 008 nuclear build core ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 13.6 pt20 . . . . . 0 N--CA 1.453 -0.292 0 CA-C-O 121.158 0.504 . . . . 0.0 110.989 . . . . . . . . . 0 0 . 1 . 008 nuclear build core ' A' A ' 13' ' ' GLN . . . . . 0.445 ' HG2' ' O ' ' A' ' 13' ' ' GLN . 5.1 pm0 -80.7 102.21 9.75 Favored 'General case' 0 C--N 1.323 -0.545 0 CA-C-O 121.773 0.797 . . . . 0.0 110.46 178.853 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 74.4 mmtt -109.54 137.13 47.82 Favored 'General case' 0 C--N 1.32 -0.699 0 CA-C-N 115.52 -0.764 . . . . 0.0 109.328 178.638 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 15' ' ' ASN . . . . . 0.445 ' HA ' ' HA ' ' A' ' 56' ' ' SER . 6.4 p30 -83.53 118.41 23.77 Favored 'General case' 0 C--N 1.32 -0.676 0 CA-C-O 121.223 0.535 . . . . 0.0 110.932 -179.169 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 16' ' ' PHE . . . . . 0.419 ' O ' ' HA ' ' A' ' 54' ' ' ASN . 94.0 m-85 -116.1 141.72 47.76 Favored 'General case' 0 C--N 1.321 -0.666 0 CA-C-N 115.876 -0.602 . . . . 0.0 110.353 179.339 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 9.9 t30 -138.72 95.5 2.98 Favored 'General case' 0 C--N 1.321 -0.642 0 N-CA-C 109.421 -0.585 . . . . 0.0 109.421 176.328 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 18' ' ' ILE . . . . . 0.452 ' HB ' ' HB3' ' A' ' 53' ' ' LEU . 13.2 mm -117.74 121.59 67.78 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.769 0 CA-C-N 115.955 -0.566 . . . . 0.0 109.824 -175.938 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -67.39 146.31 54.18 Favored 'General case' 0 C--N 1.325 -0.489 0 N-CA-C 109.095 -0.705 . . . . 0.0 109.095 174.091 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -68.4 101.51 1.24 Allowed 'General case' 0 N--CA 1.452 -0.338 0 CA-C-O 121.562 0.696 . . . . 0.0 110.573 -175.305 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 21' ' ' GLN . . . . . . . . . . . . . 33.2 mt-30 -107.23 170.67 5.39 Favored Pre-proline 0 C--N 1.317 -0.837 0 CA-C-N 114.557 -1.201 . . . . 0.0 110.111 178.039 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 22' ' ' PRO . . . . . . . . . . . . . 51.3 Cg_exo -56.03 136.88 77.16 Favored 'Trans proline' 0 C--N 1.346 0.401 0 C-N-CA 121.632 1.554 . . . . 0.0 109.547 166.18 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 23' ' ' LEU . . . . . 0.494 ' N ' ' HA ' ' A' ' 49' ' ' GLN . 0.9 OUTLIER -53.0 -41.5 64.71 Favored 'General case' 0 C--N 1.325 -0.458 0 N-CA-C 112.954 0.724 . . . . 0.0 112.954 -166.286 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 52.6 mt-30 -65.98 -39.16 90.12 Favored 'General case' 0 C--N 1.325 -0.497 0 CA-C-O 120.75 0.309 . . . . 0.0 111.005 -179.811 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 18.0 m -76.99 -30.72 56.06 Favored 'General case' 0 C--N 1.325 -0.467 0 CA-C-O 121.034 0.445 . . . . 0.0 110.594 179.266 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -62.58 -51.94 65.35 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 115.75 -0.659 . . . . 0.0 110.794 178.995 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 27' ' ' MET . . . . . 0.409 ' HG3' ' HB ' ' A' ' 38' ' ' VAL . 26.5 mmt -70.41 -23.91 62.83 Favored 'General case' 0 C--N 1.323 -0.557 0 CA-C-N 115.396 -0.82 . . . . 0.0 110.82 -178.574 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 28' ' ' LEU . . . . . 0.526 ' O ' ' HB3' ' A' ' 32' ' ' GLU . 8.4 tt -61.58 -32.29 72.38 Favored 'General case' 0 C--N 1.322 -0.608 0 N-CA-C 109.072 -0.714 . . . . 0.0 109.072 175.1 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 29' ' ' ARG . . . . . 0.53 ' O ' ' HG2' ' A' ' 32' ' ' GLU . 21.5 mmt180 -85.72 -47.57 9.65 Favored 'General case' 0 C--N 1.332 -0.184 0 CA-C-N 116.116 -0.493 . . . . 0.0 111.766 179.523 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 8.3 t80 -67.15 -52.36 42.5 Favored 'General case' 0 C--N 1.32 -0.687 0 CA-C-O 121.385 0.612 . . . . 0.0 111.067 -179.834 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -77.69 -17.73 57.36 Favored 'General case' 0 C--N 1.318 -0.794 0 CA-C-N 115.722 -0.672 . . . . 0.0 112.201 -171.136 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 32' ' ' GLU . . . . . 0.53 ' HG2' ' O ' ' A' ' 29' ' ' ARG . 13.8 pt-20 -63.64 -29.6 70.82 Favored 'General case' 0 N--CA 1.467 0.413 0 C-N-CA 120.125 -0.63 . . . . 0.0 109.97 176.845 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 33' ' ' GLN . . . . . . . . . . . . . 74.0 mt-30 -79.19 -30.15 43.24 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 115.722 -0.672 . . . . 0.0 110.117 178.141 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -92.34 1.07 57.45 Favored 'General case' 0 C--N 1.326 -0.453 0 CA-C-N 115.744 -0.662 . . . . 0.0 111.714 -177.062 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 69.72 38.89 77.51 Favored Glycine 0 C--N 1.332 0.314 0 C-N-CA 121.084 -0.579 . . . . 0.0 112.216 -179.771 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 36' ' ' MET . . . . . . . . . . . . . 51.3 mtp -141.3 174.73 10.26 Favored 'General case' 0 C--N 1.324 -0.508 0 N-CA-C 110.167 -0.308 . . . . 0.0 110.167 -175.226 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 37' ' ' GLN . . . . . . . . . . . . . 41.9 tt0 -154.86 154.42 32.67 Favored 'General case' 0 C--N 1.326 -0.44 0 N-CA-C 109.135 -0.691 . . . . 0.0 109.135 172.04 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 38' ' ' VAL . . . . . 0.409 ' HB ' ' HG3' ' A' ' 27' ' ' MET . 7.4 p -90.6 146.35 6.31 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.398 0 CA-C-O 120.877 0.37 . . . . 0.0 111.412 -174.622 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 39' ' ' PHE . . . . . . . . . . . . . 65.2 t80 -138.88 134.9 33.89 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.041 -0.527 . . . . 0.0 109.957 -179.793 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 40' ' ' PHE . . . . . . . . . . . . . 51.1 m-85 -117.44 179.17 4.13 Favored 'General case' 0 C--N 1.324 -0.51 0 CA-C-N 116.306 -0.406 . . . . 0.0 110.542 -177.796 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 3.9 m-20 -68.87 155.56 40.03 Favored 'General case' 0 C--N 1.324 -0.501 0 N-CA-C 109.552 -0.536 . . . . 0.0 109.552 173.18 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 48.5 mt-10 -75.91 87.86 2.89 Favored 'General case' 0 C--N 1.324 -0.533 0 N-CA-C 109.479 -0.563 . . . . 0.0 109.479 176.566 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 43' ' ' VAL . . . . . . . . . . . . . 23.9 m -138.96 147.84 24.5 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.643 0 CA-C-N 115.597 -0.729 . . . . 0.0 110.295 -179.24 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 21.6 ttmm -91.85 88.96 6.84 Favored 'General case' 0 C--N 1.317 -0.817 0 N-CA-C 109.145 -0.687 . . . . 0.0 109.145 177.412 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 51.1 tp -136.81 133.68 36.19 Favored 'General case' 0 C--N 1.324 -0.529 0 CA-C-N 115.96 -0.564 . . . . 0.0 111.099 -173.72 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 15.6 m-20 -111.14 155.83 22.29 Favored 'General case' 0 C--N 1.323 -0.578 0 CA-C-N 115.885 -0.598 . . . . 0.0 110.513 174.724 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 112.07 -0.97 26.99 Favored Glycine 0 N--CA 1.45 -0.373 0 C-N-CA 120.833 -0.699 . . . . 0.0 112.665 177.446 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 48' ' ' MET . . . . . . . . . . . . . 71.2 mtm -79.29 118.62 21.38 Favored 'General case' 0 C--N 1.325 -0.488 0 N-CA-C 109.807 -0.442 . . . . 0.0 109.807 -179.875 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 49' ' ' GLN . . . . . 0.494 ' HA ' ' N ' ' A' ' 23' ' ' LEU . 13.5 pt20 -154.18 160.73 42.01 Favored 'General case' 0 C--N 1.322 -0.618 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.436 -176.964 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 50' ' ' ALA . . . . . 0.41 ' HA ' ' O ' ' A' ' 66' ' ' LEU . . . -90.81 158.58 16.75 Favored 'General case' 0 C--N 1.321 -0.634 0 CA-C-N 115.677 -0.692 . . . . 0.0 110.472 -179.473 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -89.67 -176.96 5.16 Favored 'General case' 0 C--N 1.323 -0.578 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.363 177.418 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -72.6 90.67 1.37 Allowed 'General case' 0 C--N 1.328 -0.343 0 CA-C-O 121.443 0.64 . . . . 0.0 110.344 178.53 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 53' ' ' LEU . . . . . 0.452 ' HB3' ' HB ' ' A' ' 18' ' ' ILE . 1.1 tm? -83.05 112.18 19.55 Favored 'General case' 0 C--N 1.321 -0.663 0 CA-C-N 115.356 -0.838 . . . . 0.0 110.416 -176.053 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 54' ' ' ASN . . . . . 0.419 ' HA ' ' O ' ' A' ' 16' ' ' PHE . 26.5 t-20 -155.19 105.33 2.5 Favored 'General case' 0 C--N 1.324 -0.5 0 N-CA-C 109.577 -0.527 . . . . 0.0 109.577 174.889 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . 178.55 158.62 21.51 Favored Glycine 0 N--CA 1.45 -0.411 0 C-N-CA 120.309 -0.948 . . . . 0.0 112.872 179.567 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 56' ' ' SER . . . . . 0.445 ' HA ' ' HA ' ' A' ' 15' ' ' ASN . 21.7 m -96.82 104.31 16.3 Favored 'General case' 0 C--N 1.329 -0.316 0 N-CA-C 109.486 -0.561 . . . . 0.0 109.486 174.793 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 57' ' ' MET . . . . . 0.426 ' HB2' ' HB2' ' A' ' 61' ' ' GLN . 11.8 ptt? -156.3 178.93 9.74 Favored 'General case' 0 C--N 1.322 -0.608 0 CA-C-N 116.145 -0.48 . . . . 0.0 111.129 -171.6 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 39.5 m -95.73 -174.91 3.28 Favored 'General case' 0 C--N 1.324 -0.542 0 CA-C-N 116.309 -0.405 . . . . 0.0 110.965 -179.312 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 59' ' ' VAL . . . . . . . . . . . . . 16.5 t -57.67 -46.47 86.61 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.187 0 CA-C-N 116.504 -0.316 . . . . 0.0 110.878 -176.484 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 60' ' ' GLU . . . . . 0.503 ' O ' ' HG3' ' A' ' 64' ' ' ARG . 3.3 mp0 -56.66 -62.27 1.85 Allowed 'General case' 0 C--N 1.323 -0.557 0 CA-C-N 116.042 -0.527 . . . . 0.0 111.348 -176.837 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 61' ' ' GLN . . . . . 0.515 ' OE1' ' HD2' ' A' ' 64' ' ' ARG . 15.0 mm100 -60.22 -37.52 80.57 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.436 -0.347 . . . . 0.0 111.426 -179.296 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . -58.98 -51.9 56.51 Favored Glycine 0 N--CA 1.448 -0.517 0 C-N-CA 120.83 -0.7 . . . . 0.0 111.867 178.088 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 63' ' ' LEU . . . . . 0.49 ' HA ' ' HB2' ' A' ' 66' ' ' LEU . 4.0 mm? -65.81 -39.15 90.61 Favored 'General case' 0 C--N 1.324 -0.518 0 CA-C-O 120.746 0.308 . . . . 0.0 111.496 -179.834 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 64' ' ' ARG . . . . . 0.515 ' HD2' ' OE1' ' A' ' 61' ' ' GLN . 92.8 mtt180 -54.3 -43.35 71.01 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-N 116.145 -0.479 . . . . 0.0 111.566 178.332 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 65' ' ' ARG . . . . . . . . . . . . . 64.0 mtp180 -80.31 -16.67 54.09 Favored 'General case' 0 C--N 1.324 -0.513 0 CA-C-O 120.994 0.426 . . . . 0.0 111.166 178.754 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 66' ' ' LEU . . . . . 0.49 ' HB2' ' HA ' ' A' ' 63' ' ' LEU . 8.2 mt -87.08 -48.68 7.88 Favored 'General case' 0 C--N 1.321 -0.672 0 CA-C-N 115.938 -0.573 . . . . 0.0 112.387 -175.158 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 67' ' ' ILE . . . . . . . . . . . . . 57.8 mt -90.46 -64.8 1.1 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 N-CA-C 113.431 0.9 . . . . 0.0 113.431 -168.647 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . -113.77 -62.32 0.42 Allowed Glycine 0 N--CA 1.447 -0.619 0 C-N-CA 119.152 -1.499 . . . . 0.0 114.958 -167.303 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . 83.81 -21.92 8.72 Favored Glycine 0 N--CA 1.45 -0.427 0 N-CA-C 110.204 -1.159 . . . . 0.0 110.204 -165.512 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 70' ' ' ASN . . . . . . . . . . . . . 89.8 m-20 -102.15 161.67 22.68 Favored Pre-proline 0 C--N 1.33 -0.257 0 N-CA-C 109.219 -0.66 . . . . 0.0 109.219 173.491 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 71' ' ' PRO . . . . . . . . . . . . . 24.3 Cg_exo -64.01 97.37 0.23 Allowed 'Trans proline' 0 C--N 1.348 0.515 0 C-N-CA 122.216 1.944 . . . . 0.0 112.602 179.872 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 72' ' ' VAL . . . . . . . . . . . . . 14.1 t -141.49 151.23 19.41 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.341 0 N-CA-C 107.107 -1.442 . . . . 0.0 107.107 175.027 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -103.48 125.69 50.2 Favored 'General case' 0 C--N 1.321 -0.643 0 CA-C-N 118.622 0.647 . . . . 0.0 111.952 -170.151 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 74' ' ' PHE . . . . . . . . . . . . . 24.9 p90 -109.32 123.48 49.36 Favored 'General case' 0 C--N 1.324 -0.533 0 N-CA-C 109.498 -0.556 . . . . 0.0 109.498 174.879 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 75' ' ' ARG . . . . . . . . . . . . . 39.1 ttm180 -109.59 115.89 30.74 Favored 'General case' 0 C--N 1.319 -0.751 0 CA-C-N 115.932 -0.576 . . . . 0.0 110.422 -176.635 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 76' ' ' LEU . . . . . . . . . . . . . 2.2 mm? -81.95 99.58 9.18 Favored 'General case' 0 C--N 1.325 -0.482 0 CA-C-N 115.942 -0.572 . . . . 0.0 110.223 -179.388 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 77' ' ' GLN . . . . . . . . . . . . . 79.6 mm-40 -76.49 130.89 75.69 Favored Pre-proline 0 C--N 1.321 -0.639 0 CA-C-N 116.036 -0.529 . . . . 0.0 110.062 177.368 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 78' ' ' PRO . . . . . . . . . . . . . 37.9 Cg_endo -66.26 -0.84 4.61 Favored 'Trans proline' 0 C--N 1.343 0.24 0 C-N-CA 122.817 2.345 . . . . 0.0 112.096 178.851 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 79' ' ' GLN . . . . . . . . . . . . . 45.1 mt-30 -87.01 -0.42 56.6 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-N 115.418 -0.81 . . . . 0.0 109.999 176.01 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . 90.05 33.87 8.62 Favored Glycine 0 N--CA 1.448 -0.534 0 CA-C-N 115.767 -0.651 . . . . 0.0 112.257 179.074 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 81' ' ' GLN . . . . . . . . . . . . . 16.1 mm100 -132.22 134.76 45.72 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-O 120.975 0.416 . . . . 0.0 111.309 -176.695 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 82' ' ' ILE . . . . . . . . . . . . . 34.3 mt -101.54 98.92 7.44 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.575 0 N-CA-C 109.19 -0.67 . . . . 0.0 109.19 175.008 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 83' ' ' VAL . . . . . . . . . . . . . 47.9 t -92.86 115.68 32.25 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.706 0 CA-C-O 120.837 0.351 . . . . 0.0 110.473 -176.909 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 84' ' ' LEU . . . . . . . . . . . . . 31.3 tp -86.75 117.44 25.5 Favored 'General case' 0 C--N 1.324 -0.534 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.267 178.935 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 85' ' ' SER . . . . . . . . . . . . . 19.2 m -106.54 133.36 51.33 Favored 'General case' 0 C--N 1.32 -0.717 0 CA-C-N 116.255 -0.43 . . . . 0.0 109.981 -179.322 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 86' ' ' ARG . . . . . . . . . . . . . 99.7 mtt180 -81.41 70.49 8.28 Favored 'General case' 0 C--N 1.325 -0.491 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.243 -177.796 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 87' ' ' LEU . . . . . . . . . . . . . 8.9 mp . . . . . 0 C--N 1.325 -0.497 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.056 174.707 . . . . . . . . 0 0 . 1 . 009 nuclear build core ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 34.8 tt0 . . . . . 0 N--CA 1.453 -0.279 0 CA-C-O 121.037 0.446 . . . . 0.0 109.991 . . . . . . . . . 0 0 . 1 . 009 nuclear build core ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 6.1 pt20 -127.2 140.64 52.1 Favored 'General case' 0 C--N 1.319 -0.75 0 CA-C-N 116.077 -0.51 . . . . 0.0 110.681 179.761 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 14' ' ' LYS . . . . . 0.446 ' O ' ' HA ' ' A' ' 56' ' ' SER . 34.0 mmtp -112.22 154.28 25.81 Favored 'General case' 0 C--N 1.323 -0.569 0 CA-C-N 115.853 -0.612 . . . . 0.0 109.702 -179.143 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 15' ' ' ASN . . . . . . . . . . . . . 13.3 t-20 -87.04 106.48 17.87 Favored 'General case' 0 C--N 1.322 -0.607 0 CA-C-N 116.343 -0.389 . . . . 0.0 110.122 -179.068 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 16' ' ' PHE . . . . . 0.476 ' O ' ' HA ' ' A' ' 54' ' ' ASN . 33.1 m-85 -102.42 135.9 43.21 Favored 'General case' 0 C--N 1.325 -0.47 0 CA-C-N 116.371 -0.377 . . . . 0.0 110.747 -178.02 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 48.7 m-80 -128.81 89.89 2.96 Favored 'General case' 0 C--N 1.325 -0.462 0 CA-C-O 121.213 0.53 . . . . 0.0 109.686 177.287 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 18' ' ' ILE . . . . . . . . . . . . . 19.6 mm -117.78 105.61 18.31 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.698 0 CA-C-N 115.807 -0.633 . . . . 0.0 110.436 -175.66 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -69.68 147.78 50.14 Favored 'General case' 0 C--N 1.323 -0.575 0 N-CA-C 108.295 -1.002 . . . . 0.0 108.295 170.945 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -65.62 102.97 0.79 Allowed 'General case' 0 C--N 1.33 -0.257 0 CA-C-O 121.476 0.655 . . . . 0.0 110.897 -173.295 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 21' ' ' GLN . . . . . . . . . . . . . 77.7 mt-30 -105.64 169.68 6.73 Favored Pre-proline 0 C--N 1.32 -0.707 0 CA-C-N 114.986 -1.007 . . . . 0.0 110.175 177.611 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 22' ' ' PRO . . . . . . . . . . . . . 53.1 Cg_exo -56.51 143.45 87.85 Favored 'Trans proline' 0 C--N 1.345 0.359 0 C-N-CA 121.855 1.704 . . . . 0.0 110.84 168.356 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -53.68 -46.47 70.67 Favored 'General case' 0 C--N 1.323 -0.544 0 N-CA-C 112.409 0.522 . . . . 0.0 112.409 -168.141 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 49.8 mt-30 -56.73 -44.02 81.23 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.416 -0.356 . . . . 0.0 111.844 -179.126 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 25' ' ' SER . . . . . 0.433 ' O ' ' HG2' ' A' ' 29' ' ' ARG . 6.3 p -83.57 -21.02 32.76 Favored 'General case' 0 C--N 1.324 -0.53 0 C-N-CA 121.051 -0.26 . . . . 0.0 111.268 -177.837 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -59.38 -57.11 14.44 Favored 'General case' 0 C--O 1.234 0.241 0 CA-C-O 120.901 0.381 . . . . 0.0 111.033 178.543 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 27' ' ' MET . . . . . 0.676 ' HB2' ' CG1' ' A' ' 38' ' ' VAL . 45.3 mtt -72.78 -24.55 60.95 Favored 'General case' 0 CA--C 1.507 -0.674 0 N-CA-C 109.918 -0.401 . . . . 0.0 109.918 177.811 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 28' ' ' LEU . . . . . 0.546 ' O ' ' HG3' ' A' ' 32' ' ' GLU . 64.6 tp -56.68 -52.36 65.24 Favored 'General case' 0 C--N 1.323 -0.569 0 N-CA-C 109.031 -0.729 . . . . 0.0 109.031 174.663 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 29' ' ' ARG . . . . . 0.472 ' HD3' ' OE1' ' A' ' 32' ' ' GLU . 23.1 mmt180 -63.48 -45.07 92.43 Favored 'General case' 0 C--N 1.326 -0.443 0 CA-C-N 116.324 -0.398 . . . . 0.0 111.703 -178.723 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 30' ' ' PHE . . . . . 0.467 ' CE2' HD21 ' A' ' 63' ' ' LEU . 28.0 t80 -65.87 -54.31 28.24 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-O 121.131 0.491 . . . . 0.0 111.113 178.901 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 31' ' ' ALA . . . . . 0.452 ' HA ' ' HB3' ' A' ' 34' ' ' ALA . . . -70.02 -18.01 63.29 Favored 'General case' 0 C--N 1.322 -0.62 0 CA-C-N 116.054 -0.521 . . . . 0.0 111.16 -175.79 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 32' ' ' GLU . . . . . 0.546 ' HG3' ' O ' ' A' ' 28' ' ' LEU . 11.5 mt-10 -54.06 -41.94 68.7 Favored 'General case' 0 N--CA 1.471 0.622 0 CA-C-O 120.766 0.317 . . . . 0.0 111.211 173.48 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 33' ' ' GLN . . . . . . . . . . . . . 28.9 pt20 -90.39 -10.47 43.79 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-O 120.732 0.301 . . . . 0.0 111.162 -178.983 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 34' ' ' ALA . . . . . 0.452 ' HB3' ' HA ' ' A' ' 31' ' ' ALA . . . -94.84 -30.1 14.38 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.501 -0.318 . . . . 0.0 111.749 -179.188 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 107.33 29.24 4.58 Favored Glycine 0 CA--C 1.519 0.31 0 C-N-CA 120.999 -0.62 . . . . 0.0 112.73 178.677 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 36' ' ' MET . . . . . 0.422 ' HB2' ' HB1' ' A' ' 31' ' ' ALA . 67.3 mtm -138.31 175.14 9.83 Favored 'General case' 0 C--N 1.327 -0.386 0 N-CA-C 110.401 -0.222 . . . . 0.0 110.401 -177.036 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 37' ' ' GLN . . . . . . . . . . . . . 58.9 tt0 -147.78 162.83 38.43 Favored 'General case' 0 C--N 1.327 -0.407 0 N-CA-C 109.569 -0.53 . . . . 0.0 109.569 177.569 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 38' ' ' VAL . . . . . 0.676 ' CG1' ' HB2' ' A' ' 27' ' ' MET . 21.8 m -75.92 148.59 7.17 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.361 0 CA-C-O 120.969 0.414 . . . . 0.0 111.455 -177.633 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 39' ' ' PHE . . . . . . . . . . . . . 72.9 t80 -139.8 145.66 38.45 Favored 'General case' 0 C--N 1.323 -0.573 0 CA-C-N 115.809 -0.632 . . . . 0.0 109.882 174.394 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 40' ' ' PHE . . . . . . . . . . . . . 37.8 p90 -153.08 153.95 33.86 Favored 'General case' 0 C--N 1.319 -0.721 0 N-CA-C 109.073 -0.714 . . . . 0.0 109.073 179.309 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 23.8 m-20 -90.48 -164.83 1.23 Allowed 'General case' 0 C--N 1.323 -0.556 0 N-CA-C 109.663 -0.495 . . . . 0.0 109.663 178.254 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 35.3 mt-10 -71.8 88.48 1.01 Allowed 'General case' 0 C--N 1.326 -0.422 0 CA-C-O 121.364 0.602 . . . . 0.0 110.439 179.196 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 43' ' ' VAL . . . . . . . . . . . . . 5.9 p -146.37 134.23 15.39 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.573 0 CA-C-N 115.422 -0.808 . . . . 0.0 109.644 -179.795 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 40.0 ttpt -73.62 107.81 6.09 Favored 'General case' 0 C--N 1.324 -0.509 0 CA-C-O 121.129 0.49 . . . . 0.0 110.701 -178.324 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 84.5 mt -88.59 98.17 11.51 Favored 'General case' 0 C--N 1.322 -0.593 0 CA-C-N 115.772 -0.649 . . . . 0.0 109.284 176.725 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 30.8 t70 -127.32 111.58 14.07 Favored 'General case' 0 C--N 1.321 -0.634 0 CA-C-N 115.868 -0.606 . . . . 0.0 110.443 -176.391 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 83.46 21.74 57.76 Favored Glycine 0 N--CA 1.448 -0.508 0 C-N-CA 120.836 -0.697 . . . . 0.0 111.786 -178.543 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 48' ' ' MET . . . . . . . . . . . . . 25.9 mmt -87.03 119.12 26.9 Favored 'General case' 0 C--N 1.326 -0.429 0 N-CA-C 110.195 -0.298 . . . . 0.0 110.195 -178.455 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -146.27 173.88 11.85 Favored 'General case' 0 C--N 1.322 -0.6 0 CA-C-N 116.331 -0.395 . . . . 0.0 110.838 -179.049 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -105.13 177.67 4.78 Favored 'General case' 0 C--N 1.321 -0.632 0 CA-C-O 121.326 0.584 . . . . 0.0 111.421 -176.772 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -99.68 171.16 8.08 Favored 'General case' 0 C--N 1.322 -0.599 0 CA-C-N 115.444 -0.798 . . . . 0.0 110.236 178.899 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -82.08 89.77 6.48 Favored 'General case' 0 C--N 1.325 -0.495 0 CA-C-O 120.967 0.413 . . . . 0.0 110.471 179.767 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 31.9 tp -97.65 120.69 38.49 Favored 'General case' 0 C--N 1.322 -0.609 0 CA-C-N 116.038 -0.528 . . . . 0.0 110.892 -179.965 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 54' ' ' ASN . . . . . 0.476 ' HA ' ' O ' ' A' ' 16' ' ' PHE . 3.0 p-10 -153.67 98.76 2.24 Favored 'General case' 0 C--N 1.32 -0.7 0 CA-C-O 121.553 0.692 . . . . 0.0 109.745 173.369 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . 179.3 178.85 48.58 Favored Glycine 0 N--CA 1.443 -0.861 0 CA-C-N 115.609 -0.723 . . . . 0.0 111.754 -176.632 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 56' ' ' SER . . . . . 0.446 ' HA ' ' O ' ' A' ' 14' ' ' LYS . 14.6 m -103.75 115.71 30.97 Favored 'General case' 0 C--N 1.319 -0.72 0 CA-C-O 120.723 0.297 . . . . 0.0 110.329 -179.645 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 57' ' ' MET . . . . . . . . . . . . . 20.1 ptp -157.88 173.15 17.23 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 116.399 -0.364 . . . . 0.0 110.497 -178.097 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 58' ' ' SER . . . . . 0.49 ' HB2' ' OE1' ' A' ' 61' ' ' GLN . 16.3 m -83.04 177.72 8.47 Favored 'General case' 0 C--N 1.326 -0.422 0 N-CA-C 110.413 -0.217 . . . . 0.0 110.413 -178.967 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 59' ' ' VAL . . . . . . . . . . . . . 24.7 t -61.68 -44.15 98.25 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.338 0 CA-C-O 120.746 0.308 . . . . 0.0 110.723 -177.811 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 60' ' ' GLU . . . . . 0.599 ' HB3' ' NH1' ' A' ' 64' ' ' ARG . 45.6 mt-10 -57.68 -56.35 23.01 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.046 -0.524 . . . . 0.0 111.577 179.3 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 61' ' ' GLN . . . . . 0.49 ' OE1' ' HB2' ' A' ' 58' ' ' SER . 24.6 mp0 -61.14 -42.29 98.27 Favored 'General case' 0 C--N 1.323 -0.553 0 N-CA-C 109.973 -0.38 . . . . 0.0 109.973 178.384 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 62' ' ' GLY . . . . . 0.544 ' O ' ' HB2' ' A' ' 66' ' ' LEU . . . -55.81 -58.69 12.83 Favored Glycine 0 C--O 1.219 -0.796 0 CA-C-N 115.674 -0.694 . . . . 0.0 112.611 -179.391 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 63' ' ' LEU . . . . . 0.476 ' HG ' ' CE2' ' A' ' 74' ' ' PHE . 4.2 mm? -60.87 -48.15 83.13 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-N 116.859 0.33 . . . . 0.0 111.809 -177.354 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 64' ' ' ARG . . . . . 0.599 ' NH1' ' HB3' ' A' ' 60' ' ' GLU . 66.3 mtt180 -62.5 -36.23 81.9 Favored 'General case' 0 C--N 1.325 -0.499 0 CA-C-N 116.562 -0.29 . . . . 0.0 110.868 -176.76 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 65' ' ' ARG . . . . . 0.496 ' HA ' ' HA2' ' A' ' 69' ' ' GLY . 8.3 tpp180 -78.64 -38.49 39.49 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-O 120.999 0.428 . . . . 0.0 110.775 177.699 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 66' ' ' LEU . . . . . 0.544 ' HB2' ' O ' ' A' ' 62' ' ' GLY . 5.8 tt -59.81 -48.84 80.07 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-N 115.257 -0.883 . . . . 0.0 110.926 -177.57 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 67' ' ' ILE . . . . . 0.408 HG13 ' O ' ' A' ' 63' ' ' LEU . 18.1 mt -77.78 -64.37 0.91 Allowed 'Isoleucine or valine' 0 C--N 1.322 -0.598 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.38 -173.293 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . -116.3 -44.71 0.6 Allowed Glycine 0 N--CA 1.451 -0.353 0 C-N-CA 120.764 -0.732 . . . . 0.0 113.9 -177.251 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 69' ' ' GLY . . . . . 0.496 ' HA2' ' HA ' ' A' ' 65' ' ' ARG . . . 105.25 -2.36 40.35 Favored Glycine 0 N--CA 1.45 -0.412 0 N-CA-C 111.063 -0.815 . . . . 0.0 111.063 -167.724 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 70' ' ' ASN . . . . . . . . . . . . . 40.8 m-80 -101.41 150.79 37.51 Favored Pre-proline 0 C--N 1.329 -0.319 0 CA-C-N 115.514 -0.343 . . . . 0.0 110.496 -179.741 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 71' ' ' PRO . . . . . . . . . . . . . 37.4 Cg_exo -61.37 120.37 8.0 Favored 'Trans proline' 0 C--N 1.344 0.324 0 C-N-CA 122.662 2.241 . . . . 0.0 110.83 172.356 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 72' ' ' VAL . . . . . 0.442 HG12 ' HG2' ' A' ' 64' ' ' ARG . 9.1 p -151.39 161.62 3.28 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 CA-C-N 116.58 -0.282 . . . . 0.0 110.266 -171.457 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -110.99 128.07 55.72 Favored 'General case' 0 N--CA 1.447 -0.576 0 CA-C-O 120.862 0.363 . . . . 0.0 110.061 -177.641 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 74' ' ' PHE . . . . . 0.506 ' HZ ' ' HA ' ' A' ' 60' ' ' GLU . 31.0 p90 -133.45 138.24 46.1 Favored 'General case' 0 C--N 1.317 -0.824 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.125 -178.071 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 75' ' ' ARG . . . . . 0.574 ' NH2' HD21 ' A' ' 87' ' ' LEU . 38.9 mmt180 -87.02 133.77 33.55 Favored 'General case' 0 C--N 1.322 -0.607 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.368 -177.93 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 76' ' ' LEU . . . . . . . . . . . . . 96.0 mt -118.68 111.9 19.11 Favored 'General case' 0 C--N 1.32 -0.692 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.231 177.322 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 77' ' ' GLN . . . . . . . . . . . . . 54.2 mt-30 -104.57 114.25 64.24 Favored Pre-proline 0 C--N 1.32 -0.711 0 N-CA-C 109.298 -0.63 . . . . 0.0 109.298 170.598 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 78' ' ' PRO . . . . . . . . . . . . . 79.2 Cg_exo -42.07 -46.16 7.16 Favored 'Trans proline' 0 C--N 1.351 0.68 0 C-N-CA 123.861 3.041 . . . . 0.0 113.915 -171.341 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 79' ' ' GLN . . . . . . . . . . . . . 12.1 pt20 -118.16 29.12 7.96 Favored 'General case' 0 C--N 1.325 -0.464 0 CA-C-O 120.99 0.424 . . . . 0.0 110.654 179.033 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . -124.51 -111.24 1.9 Allowed Glycine 0 N--CA 1.443 -0.882 0 C-N-CA 120.732 -0.747 . . . . 0.0 112.193 -178.964 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 81' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -143.0 169.83 16.82 Favored 'General case' 0 C--N 1.322 -0.603 0 CA-C-O 121.12 0.486 . . . . 0.0 111.712 -171.959 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 82' ' ' ILE . . . . . . . . . . . . . 53.0 mt -115.93 122.35 69.37 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 115.154 -0.93 . . . . 0.0 109.742 176.354 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 83' ' ' VAL . . . . . . . . . . . . . 16.6 m -128.48 142.38 44.04 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.508 0 CA-C-O 120.892 0.377 . . . . 0.0 110.576 176.838 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 84' ' ' LEU . . . . . . . . . . . . . 21.1 tp -102.45 141.75 34.76 Favored 'General case' 0 C--N 1.321 -0.631 0 CA-C-N 116.011 -0.541 . . . . 0.0 110.077 -176.11 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 85' ' ' SER . . . . . . . . . . . . . 23.8 m -152.27 145.56 24.72 Favored 'General case' 0 C--O 1.233 0.231 0 CA-C-O 121.127 0.489 . . . . 0.0 111.126 -177.601 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 86' ' ' ARG . . . . . . . . . . . . . 15.4 mmm180 -88.74 82.85 6.74 Favored 'General case' 0 C--N 1.323 -0.561 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.506 174.452 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 87' ' ' LEU . . . . . 0.574 HD21 ' NH2' ' A' ' 75' ' ' ARG . 8.1 mp . . . . . 0 C--N 1.326 -0.42 0 CA-C-O 120.884 0.374 . . . . 0.0 110.35 177.189 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 12.7 pt20 . . . . . 0 C--O 1.235 0.328 0 CA-C-O 121.194 0.521 . . . . 0.0 111.248 . . . . . . . . . 0 0 . 1 . 010 nuclear build core ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 51.9 mt-30 -119.3 122.38 41.75 Favored 'General case' 0 C--N 1.324 -0.525 0 CA-C-N 115.905 -0.589 . . . . 0.0 110.656 -178.843 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 14' ' ' LYS . . . . . 0.532 ' O ' ' HA ' ' A' ' 56' ' ' SER . 44.1 mmtm -109.54 142.96 39.87 Favored 'General case' 0 C--N 1.323 -0.573 0 N-CA-C 109.534 -0.543 . . . . 0.0 109.534 175.439 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 15' ' ' ASN . . . . . 0.411 ' HA ' ' HA ' ' A' ' 56' ' ' SER . 47.8 t30 -80.41 98.97 7.74 Favored 'General case' 0 C--N 1.325 -0.472 0 CA-C-O 121.113 0.482 . . . . 0.0 110.529 -178.03 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 16' ' ' PHE . . . . . . . . . . . . . 75.7 m-85 -100.13 140.66 34.04 Favored 'General case' 0 C--N 1.319 -0.751 0 CA-C-N 115.756 -0.656 . . . . 0.0 109.617 178.557 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 9.1 p30 -147.88 117.92 7.24 Favored 'General case' 0 C--N 1.319 -0.724 0 CA-C-O 121.306 0.574 . . . . 0.0 109.52 176.123 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 18' ' ' ILE . . . . . 0.535 HD12 HD11 ' A' ' 66' ' ' LEU . 18.1 mt -139.24 124.17 21.05 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.586 0 CA-C-N 115.837 -0.619 . . . . 0.0 109.923 -175.875 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -70.54 160.01 33.26 Favored 'General case' 0 C--N 1.328 -0.36 0 N-CA-C 109.566 -0.531 . . . . 0.0 109.566 175.851 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -67.07 104.11 1.34 Allowed 'General case' 0 C--N 1.331 -0.233 0 CA-C-O 121.522 0.677 . . . . 0.0 110.626 -176.502 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 21' ' ' GLN . . . . . . . . . . . . . 70.3 mt-30 -105.67 174.82 2.4 Favored Pre-proline 0 C--N 1.32 -0.688 0 CA-C-N 114.82 -1.082 . . . . 0.0 109.631 175.741 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 22' ' ' PRO . . . . . . . . . . . . . 32.5 Cg_exo -59.37 135.88 68.16 Favored 'Trans proline' 0 N--CA 1.462 -0.381 0 C-N-CA 121.54 1.493 . . . . 0.0 109.489 165.193 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 23' ' ' LEU . . . . . 0.406 ' HB2' ' HB3' ' A' ' 48' ' ' MET . 0.5 OUTLIER -54.99 -46.81 75.18 Favored 'General case' 0 C--N 1.326 -0.434 0 N-CA-C 112.809 0.67 . . . . 0.0 112.809 -165.827 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 76.5 mt-30 -70.58 -27.13 63.88 Favored 'General case' 0 C--N 1.325 -0.477 0 CA-C-O 120.806 0.336 . . . . 0.0 111.218 -178.668 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 19.9 m -80.97 -25.12 37.55 Favored 'General case' 0 C--N 1.326 -0.444 0 CA-C-O 121.188 0.518 . . . . 0.0 110.347 177.142 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -61.84 -51.99 66.0 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 115.648 -0.706 . . . . 0.0 110.932 178.632 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 27' ' ' MET . . . . . 0.657 ' HB2' ' CG2' ' A' ' 38' ' ' VAL . 15.4 mmt -75.43 -16.24 60.36 Favored 'General case' 0 C--N 1.323 -0.572 0 CA-C-N 115.572 -0.74 . . . . 0.0 110.391 -178.639 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 28' ' ' LEU . . . . . 0.432 ' O ' ' HB3' ' A' ' 32' ' ' GLU . 8.7 tt -61.44 -41.8 97.75 Favored 'General case' 0 C--N 1.321 -0.653 0 N-CA-C 108.056 -1.09 . . . . 0.0 108.056 171.453 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 29' ' ' ARG . . . . . 0.447 ' O ' ' HG2' ' A' ' 32' ' ' GLU . 16.5 mmm180 -72.14 -46.84 54.91 Favored 'General case' 0 C--N 1.331 -0.21 0 CA-C-N 115.624 -0.716 . . . . 0.0 111.586 179.363 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 30' ' ' PHE . . . . . 0.406 ' CE2' HD21 ' A' ' 63' ' ' LEU . 21.3 t80 -68.31 -53.98 20.56 Favored 'General case' 0 C--N 1.323 -0.551 0 CA-C-O 121.349 0.595 . . . . 0.0 111.452 -179.858 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -76.02 -18.2 59.36 Favored 'General case' 0 C--N 1.32 -0.691 0 CA-C-N 115.899 -0.592 . . . . 0.0 112.082 -170.054 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 32' ' ' GLU . . . . . 0.447 ' HG2' ' O ' ' A' ' 29' ' ' ARG . 13.7 pt-20 -66.4 -25.6 66.85 Favored 'General case' 0 C--N 1.327 -0.383 0 C-N-CA 119.888 -0.725 . . . . 0.0 109.739 176.377 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 33' ' ' GLN . . . . . . . . . . . . . 77.0 mt-30 -90.12 -13.85 34.89 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 115.737 -0.665 . . . . 0.0 110.502 177.421 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -102.07 -10.95 19.25 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.829 179.305 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 85.85 37.94 9.02 Favored Glycine 0 CA--C 1.517 0.213 0 C-N-CA 121.056 -0.592 . . . . 0.0 112.633 179.661 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 36' ' ' MET . . . . . . . . . . . . . 73.2 mtm -145.9 175.13 10.66 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-O 120.731 0.3 . . . . 0.0 110.451 -178.495 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 37' ' ' GLN . . . . . . . . . . . . . 51.9 tt0 -153.94 161.22 42.16 Favored 'General case' 0 C--N 1.326 -0.424 0 N-CA-C 108.996 -0.742 . . . . 0.0 108.996 177.833 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 38' ' ' VAL . . . . . 0.657 ' CG2' ' HB2' ' A' ' 27' ' ' MET . 39.4 t -76.22 127.01 37.48 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-O 120.667 0.27 . . . . 0.0 110.431 -176.613 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 39' ' ' PHE . . . . . 0.41 ' HB3' ' CG1' ' A' ' 83' ' ' VAL . 43.1 t80 -115.97 124.57 50.88 Favored 'General case' 0 N--CA 1.447 -0.594 0 N-CA-C 109.579 -0.526 . . . . 0.0 109.579 177.946 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 40' ' ' PHE . . . . . . . . . . . . . 31.7 p90 -135.77 146.2 47.36 Favored 'General case' 0 C--N 1.318 -0.8 0 CA-C-N 115.78 -0.646 . . . . 0.0 110.382 -175.038 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 29.2 t70 -130.88 -68.06 0.69 Allowed 'General case' 0 C--N 1.322 -0.591 0 CA-C-N 116.418 -0.355 . . . . 0.0 110.546 179.991 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 47.8 mt-10 -103.27 89.64 3.46 Favored 'General case' 0 C--N 1.323 -0.568 0 CA-C-O 120.953 0.406 . . . . 0.0 110.607 177.594 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 43' ' ' VAL . . . . . . . . . . . . . 7.5 p -150.13 135.63 10.95 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.352 0 CA-C-N 115.982 -0.553 . . . . 0.0 110.409 -179.713 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 37.6 ttpt -150.96 94.23 2.04 Favored 'General case' 0 C--N 1.326 -0.45 0 CA-C-O 120.919 0.39 . . . . 0.0 110.198 176.909 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 45' ' ' LEU . . . . . 0.547 ' O ' ' HG3' ' A' ' 48' ' ' MET . 54.4 tp -143.29 99.61 3.47 Favored 'General case' 0 C--N 1.32 -0.682 0 CA-C-N 115.996 -0.547 . . . . 0.0 110.103 -179.888 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 26.1 t70 -75.36 109.96 9.32 Favored 'General case' 0 C--N 1.319 -0.738 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.328 178.522 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 123.27 21.49 2.51 Favored Glycine 0 N--CA 1.447 -0.625 0 CA-C-N 115.759 -0.655 . . . . 0.0 112.031 -177.288 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 48' ' ' MET . . . . . 0.547 ' HG3' ' O ' ' A' ' 45' ' ' LEU . 67.5 mtm -67.74 119.52 12.6 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 121.101 0.477 . . . . 0.0 110.669 177.552 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 18.2 pt20 -138.01 154.36 49.33 Favored 'General case' 0 C--N 1.321 -0.648 0 CA-C-N 115.964 -0.562 . . . . 0.0 110.328 -177.927 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -88.3 148.76 24.15 Favored 'General case' 0 C--N 1.321 -0.633 0 CA-C-N 115.815 -0.63 . . . . 0.0 110.675 179.481 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -81.79 166.18 20.24 Favored 'General case' 0 C--N 1.322 -0.603 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.467 177.344 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -68.85 89.99 0.41 Allowed 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 121.328 0.585 . . . . 0.0 110.471 179.032 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 1.9 tm? -85.12 115.23 22.8 Favored 'General case' 0 C--N 1.32 -0.68 0 CA-C-N 115.357 -0.838 . . . . 0.0 110.072 -176.56 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 54' ' ' ASN . . . . . . . . . . . . . 6.2 p30 -160.34 100.0 1.33 Allowed 'General case' 0 C--N 1.328 -0.367 0 CA-C-O 121.352 0.596 . . . . 0.0 110.771 176.423 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . 178.63 154.71 13.11 Favored Glycine 0 N--CA 1.447 -0.567 0 C-N-CA 120.391 -0.909 . . . . 0.0 112.719 179.085 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 56' ' ' SER . . . . . 0.532 ' HA ' ' O ' ' A' ' 14' ' ' LYS . 63.9 p -90.09 101.79 14.51 Favored 'General case' 0 C--N 1.324 -0.514 0 N-CA-C 109.538 -0.542 . . . . 0.0 109.538 174.24 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 57' ' ' MET . . . . . . . . . . . . . 11.5 ptt? -151.15 -173.94 4.65 Favored 'General case' 0 C--N 1.321 -0.658 0 CA-C-N 116.572 -0.285 . . . . 0.0 111.48 -173.549 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 15.6 m -93.78 179.93 5.2 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.097 -177.582 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 59' ' ' VAL . . . . . . . . . . . . . 48.1 t -60.13 -52.64 58.84 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.166 0 CA-C-O 120.6 0.238 . . . . 0.0 111.087 -178.364 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 60' ' ' GLU . . . . . 0.407 ' HA ' ' CZ ' ' A' ' 74' ' ' PHE . 27.7 mp0 -53.53 -55.58 24.35 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.067 -0.515 . . . . 0.0 111.272 179.637 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 61' ' ' GLN . . . . . . . . . . . . . 75.6 mt-30 -58.22 -37.57 75.11 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 115.776 -0.647 . . . . 0.0 111.161 -178.607 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 62' ' ' GLY . . . . . 0.526 ' O ' ' HB2' ' A' ' 66' ' ' LEU . . . -67.04 -61.42 5.22 Favored Glycine 0 N--CA 1.445 -0.724 0 C-N-CA 121.044 -0.598 . . . . 0.0 112.566 179.233 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 63' ' ' LEU . . . . . 0.406 HD21 ' CE2' ' A' ' 30' ' ' PHE . 4.5 mm? -58.86 -45.78 89.32 Favored 'General case' 0 C--N 1.331 -0.216 0 N-CA-C 111.721 0.267 . . . . 0.0 111.721 -176.187 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 64' ' ' ARG . . . . . . . . . . . . . 29.6 ttt180 -54.89 -46.35 74.79 Favored 'General case' 0 N--CA 1.446 -0.628 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.97 -177.976 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 65' ' ' ARG . . . . . . . . . . . . . 27.4 ttm180 -76.1 -38.7 56.59 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.64 -179.779 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 66' ' ' LEU . . . . . 0.535 HD11 HD12 ' A' ' 18' ' ' ILE . 1.0 OUTLIER -62.07 -47.64 83.78 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-N 115.289 -0.869 . . . . 0.0 111.013 -176.277 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 67' ' ' ILE . . . . . . . . . . . . . 61.5 mt -78.12 -62.99 1.19 Allowed 'Isoleucine or valine' 0 C--N 1.327 -0.381 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.474 -176.967 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . -113.55 -59.91 0.4 Allowed Glycine 0 N--CA 1.445 -0.71 0 C-N-CA 120.515 -0.85 . . . . 0.0 113.333 -175.497 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . 102.88 -16.16 54.7 Favored Glycine 0 N--CA 1.447 -0.575 0 N-CA-C 110.04 -1.224 . . . . 0.0 110.04 -167.915 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 70' ' ' ASN . . . . . 0.404 ' HB3' ' HD2' ' A' ' 71' ' ' PRO . 15.5 m120 -101.06 159.8 28.48 Favored Pre-proline 0 C--N 1.324 -0.521 0 CA-C-N 114.36 -0.92 . . . . 0.0 109.501 178.801 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 71' ' ' PRO . . . . . 0.404 ' HD2' ' HB3' ' A' ' 70' ' ' ASN . 37.0 Cg_endo -66.53 99.95 0.46 Allowed 'Trans proline' 0 C--N 1.346 0.423 0 C-N-CA 122.667 2.245 . . . . 0.0 113.286 179.962 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 72' ' ' VAL . . . . . 0.473 ' CG1' HD21 ' A' ' 84' ' ' LEU . 1.1 t -133.68 160.4 42.12 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.375 0 N-CA-C 107.894 -1.15 . . . . 0.0 107.894 175.959 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -112.95 119.95 39.72 Favored 'General case' 0 C--N 1.325 -0.494 0 C-N-CA 120.333 -0.547 . . . . 0.0 111.587 -170.355 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 74' ' ' PHE . . . . . 0.491 ' HA ' ' HA ' ' A' ' 84' ' ' LEU . 32.2 p90 -123.12 145.57 48.47 Favored 'General case' 0 C--N 1.317 -0.823 0 CA-C-N 115.688 -0.687 . . . . 0.0 109.882 178.321 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 75' ' ' ARG . . . . . . . . . . . . . 5.0 ptp180 -125.1 125.64 44.08 Favored 'General case' 0 C--N 1.315 -0.899 0 CA-C-O 121.215 0.531 . . . . 0.0 110.389 -178.572 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 76' ' ' LEU . . . . . 0.403 HD22 ' N ' ' A' ' 76' ' ' LEU . 2.7 mm? -83.21 99.66 10.09 Favored 'General case' 0 C--N 1.324 -0.539 0 CA-C-N 115.739 -0.664 . . . . 0.0 109.546 -179.004 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 77' ' ' GLN . . . . . . . . . . . . . 0.4 OUTLIER -85.59 128.06 60.51 Favored Pre-proline 0 N--CA 1.434 -1.227 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.092 -176.124 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 78' ' ' PRO . . . . . . . . . . . . . 41.9 Cg_endo -66.15 -2.8 7.47 Favored 'Trans proline' 0 C--N 1.347 0.491 0 C-N-CA 123.629 2.886 . . . . 0.0 113.571 -173.215 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 79' ' ' GLN . . . . . . . . . . . . . 78.0 mt-30 -83.9 16.57 2.75 Favored 'General case' 0 C--N 1.325 -0.464 0 CA-C-O 121.016 0.436 . . . . 0.0 110.235 176.608 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . 76.3 32.97 50.29 Favored Glycine 0 N--CA 1.448 -0.532 0 CA-C-N 115.708 -0.678 . . . . 0.0 112.134 179.059 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 81' ' ' GLN . . . . . . . . . . . . . 78.6 mt-30 -134.13 118.27 17.51 Favored 'General case' 0 C--N 1.323 -0.562 0 CA-C-O 121.115 0.483 . . . . 0.0 111.506 -174.247 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 82' ' ' ILE . . . . . . . . . . . . . 57.4 mt -92.72 108.07 19.84 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.662 0 N-CA-C 109.144 -0.688 . . . . 0.0 109.144 173.435 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 83' ' ' VAL . . . . . 0.41 ' CG1' ' HB3' ' A' ' 39' ' ' PHE . 17.1 m -116.53 141.37 34.74 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.69 0 CA-C-O 121.284 0.564 . . . . 0.0 110.408 178.841 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 84' ' ' LEU . . . . . 0.667 HD23 ' N ' ' A' ' 85' ' ' SER . 7.7 tt -127.49 149.84 49.94 Favored 'General case' 0 C--N 1.317 -0.845 0 CA-C-N 115.569 -0.741 . . . . 0.0 109.083 -177.673 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 85' ' ' SER . . . . . 0.667 ' N ' HD23 ' A' ' 84' ' ' LEU . 25.1 m -144.18 150.78 38.56 Favored 'General case' 0 C--N 1.325 -0.479 0 N-CA-C 109.894 -0.41 . . . . 0.0 109.894 179.253 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 86' ' ' ARG . . . . . . . . . . . . . 69.1 mtt180 -85.1 75.61 10.33 Favored 'General case' 0 C--N 1.323 -0.562 0 CA-C-O 121.503 0.668 . . . . 0.0 111.415 -176.288 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 87' ' ' LEU . . . . . . . . . . . . . 10.9 mp . . . . . 0 C--N 1.324 -0.542 0 CA-C-N 115.101 -0.954 . . . . 0.0 110.382 176.818 . . . . . . . . 0 0 . 1 . 011 nuclear build core ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 5.5 pm0 . . . . . 0 N--CA 1.455 -0.188 0 CA-C-O 121.359 0.599 . . . . 0.0 110.408 . . . . . . . . . 0 0 . 1 . 011 nuclear build core ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 12.5 pt20 -109.13 125.76 52.51 Favored 'General case' 0 C--N 1.323 -0.573 0 CA-C-N 115.875 -0.602 . . . . 0.0 110.778 -177.061 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 14' ' ' LYS . . . . . 0.417 ' HB2' ' CZ ' ' A' ' 16' ' ' PHE . 13.7 mmmm -112.0 137.03 50.57 Favored 'General case' 0 C--N 1.321 -0.639 0 CA-C-N 115.536 -0.756 . . . . 0.0 109.453 178.821 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 15' ' ' ASN . . . . . . . . . . . . . 23.9 t-20 -81.22 110.1 16.38 Favored 'General case' 0 C--N 1.321 -0.655 0 CA-C-O 120.98 0.419 . . . . 0.0 110.215 179.715 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 16' ' ' PHE . . . . . 0.575 ' O ' ' HA ' ' A' ' 54' ' ' ASN . 52.7 m-85 -101.55 142.64 32.61 Favored 'General case' 0 C--N 1.321 -0.662 0 CA-C-N 115.981 -0.554 . . . . 0.0 110.482 -179.37 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 8.9 t30 -137.35 94.18 2.9 Favored 'General case' 0 C--N 1.325 -0.466 0 N-CA-C 109.196 -0.668 . . . . 0.0 109.196 175.083 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 18' ' ' ILE . . . . . . . . . . . . . 15.9 mm -112.76 118.73 58.67 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.663 0 CA-C-N 115.714 -0.675 . . . . 0.0 111.058 -173.159 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -75.72 152.22 37.5 Favored 'General case' 0 C--N 1.325 -0.475 0 N-CA-C 108.856 -0.794 . . . . 0.0 108.856 172.703 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -67.54 101.15 0.95 Allowed 'General case' 0 C--N 1.332 -0.182 0 CA-C-O 121.49 0.662 . . . . 0.0 110.585 -176.04 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 21' ' ' GLN . . . . . . . . . . . . . 40.0 mt-30 -107.18 168.53 7.89 Favored Pre-proline 0 C--N 1.32 -0.697 0 CA-C-N 114.769 -1.105 . . . . 0.0 110.39 177.846 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 22' ' ' PRO . . . . . 0.493 ' HA ' ' O ' ' A' ' 48' ' ' MET . 34.0 Cg_exo -60.71 134.2 52.7 Favored 'Trans proline' 0 C--N 1.343 0.27 0 C-N-CA 121.902 1.735 . . . . 0.0 109.469 165.29 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 23' ' ' LEU . . . . . 0.496 ' HB2' ' HB3' ' A' ' 48' ' ' MET . 59.6 mt -49.87 -42.16 47.11 Favored 'General case' 0 C--N 1.329 -0.319 0 N-CA-C 114.149 1.166 . . . . 0.0 114.149 -167.596 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 94.0 mt-30 -65.18 -35.12 80.1 Favored 'General case' 0 C--N 1.322 -0.593 0 CA-C-O 120.942 0.401 . . . . 0.0 110.913 -178.092 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 25' ' ' SER . . . . . 0.455 ' O ' ' HG2' ' A' ' 29' ' ' ARG . 15.3 m -83.22 -34.47 25.87 Favored 'General case' 0 C--N 1.325 -0.48 0 CA-C-O 121.096 0.474 . . . . 0.0 109.912 176.392 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -58.02 -58.52 8.05 Favored 'General case' 0 CA--C 1.516 -0.346 0 CA-C-N 115.493 -0.776 . . . . 0.0 111.437 -179.384 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 27' ' ' MET . . . . . 0.541 ' CE ' ' HB3' ' A' ' 66' ' ' LEU . 12.3 mmt -79.18 -13.37 59.75 Favored 'General case' 0 CA--C 1.506 -0.735 0 CA-C-N 115.377 -0.829 . . . . 0.0 110.558 -174.297 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 28' ' ' LEU . . . . . 0.635 ' O ' ' HG3' ' A' ' 32' ' ' GLU . 3.1 tm? -66.36 -53.62 33.97 Favored 'General case' 0 C--N 1.318 -0.797 0 N-CA-C 107.984 -1.117 . . . . 0.0 107.984 167.405 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 29' ' ' ARG . . . . . 0.537 ' HD3' ' OE1' ' A' ' 32' ' ' GLU . 29.1 mmt180 -65.46 -42.49 92.23 Favored 'General case' 0 N--CA 1.464 0.251 0 CA-C-N 116.299 -0.41 . . . . 0.0 111.402 -178.924 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 30' ' ' PHE . . . . . 0.47 ' HB3' ' HA ' ' A' ' 27' ' ' MET . 32.1 t80 -62.61 -52.65 62.52 Favored 'General case' 0 C--N 1.326 -0.455 0 CA-C-O 120.982 0.42 . . . . 0.0 110.823 178.205 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 31' ' ' ALA . . . . . 0.464 ' HA ' ' HB3' ' A' ' 34' ' ' ALA . . . -71.44 -19.56 62.22 Favored 'General case' 0 C--N 1.323 -0.546 0 CA-C-N 116.156 -0.474 . . . . 0.0 111.204 -176.445 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 32' ' ' GLU . . . . . 0.635 ' HG3' ' O ' ' A' ' 28' ' ' LEU . 20.7 mt-10 -53.39 -50.99 63.97 Favored 'General case' 0 N--CA 1.471 0.604 0 CA-C-O 120.921 0.391 . . . . 0.0 111.1 176.383 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 33' ' ' GLN . . . . . . . . . . . . . 4.1 pt20 -83.29 -9.14 59.27 Favored 'General case' 0 C--N 1.325 -0.465 0 CA-C-N 116.059 -0.519 . . . . 0.0 111.061 -178.227 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 34' ' ' ALA . . . . . 0.464 ' HB3' ' HA ' ' A' ' 31' ' ' ALA . . . -94.23 -11.07 31.0 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-O 120.969 0.414 . . . . 0.0 111.086 177.372 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 85.24 37.41 9.9 Favored Glycine 0 CA--C 1.517 0.209 0 CA-C-N 116.033 -0.53 . . . . 0.0 112.718 178.6 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 36' ' ' MET . . . . . 0.452 ' HG2' ' HA2' ' A' ' 80' ' ' GLY . 64.1 mtm -148.83 176.03 10.75 Favored 'General case' 0 C--N 1.328 -0.356 0 C-N-CA 122.566 0.346 . . . . 0.0 110.217 -178.615 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 37' ' ' GLN . . . . . 0.423 ' O ' ' HA ' ' A' ' 81' ' ' GLN . 44.1 tt0 -138.19 144.12 40.55 Favored 'General case' 0 C--N 1.325 -0.5 0 N-CA-C 109.413 -0.588 . . . . 0.0 109.413 173.407 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 38' ' ' VAL . . . . . 0.44 ' HB ' ' HB2' ' A' ' 27' ' ' MET . 6.4 p -77.3 132.75 32.14 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.385 0 N-CA-C 109.618 -0.512 . . . . 0.0 109.618 176.546 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 39' ' ' PHE . . . . . . . . . . . . . 82.9 t80 -89.79 115.36 27.08 Favored 'General case' 0 C--N 1.322 -0.628 0 CA-C-N 115.959 -0.564 . . . . 0.0 110.745 -174.697 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 40' ' ' PHE . . . . . . . . . . . . . 20.9 p90 -142.37 104.87 4.49 Favored 'General case' 0 C--N 1.322 -0.588 0 CA-C-O 121.381 0.61 . . . . 0.0 110.322 178.116 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 32.0 t70 -125.88 -61.5 1.24 Allowed 'General case' 0 C--N 1.321 -0.638 0 CA-C-N 115.955 -0.566 . . . . 0.0 110.295 179.156 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 42.1 mt-10 -97.24 86.73 3.99 Favored 'General case' 0 C--N 1.322 -0.595 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.053 176.117 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 43' ' ' VAL . . . . . . . . . . . . . 4.2 m -151.34 138.29 13.06 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 CA-C-N 115.913 -0.585 . . . . 0.0 110.517 -178.324 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 24.1 ttmm -150.57 89.81 1.59 Allowed 'General case' 0 C--N 1.321 -0.652 0 CA-C-N 116.047 -0.524 . . . . 0.0 109.862 174.998 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 56.3 tp -159.2 125.31 4.43 Favored 'General case' 0 C--N 1.324 -0.528 0 CA-C-N 115.646 -0.706 . . . . 0.0 109.97 -179.597 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 6.6 p-10 -94.22 162.04 14.02 Favored 'General case' 0 C--N 1.322 -0.595 0 CA-C-O 120.903 0.382 . . . . 0.0 110.606 -179.364 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 101.21 10.62 41.56 Favored Glycine 0 N--CA 1.446 -0.646 0 C-N-CA 120.831 -0.7 . . . . 0.0 112.405 178.93 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 48' ' ' MET . . . . . 0.496 ' HB3' ' HB2' ' A' ' 23' ' ' LEU . 64.3 mtt -71.66 117.84 13.74 Favored 'General case' 0 C--N 1.33 -0.264 0 N-CA-C 109.928 -0.397 . . . . 0.0 109.928 -178.996 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 47.6 mt-30 -141.7 126.89 18.53 Favored 'General case' 0 C--N 1.322 -0.591 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.333 -176.587 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -83.93 160.62 21.05 Favored 'General case' 0 C--N 1.321 -0.635 0 CA-C-N 115.99 -0.55 . . . . 0.0 110.913 179.652 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -90.65 154.0 19.89 Favored 'General case' 0 C--N 1.322 -0.601 0 CA-C-N 115.946 -0.57 . . . . 0.0 109.945 175.597 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -70.08 89.7 0.63 Allowed 'General case' 0 C--N 1.328 -0.34 0 CA-C-O 121.145 0.498 . . . . 0.0 110.368 178.915 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 61.5 tp -83.13 113.1 20.4 Favored 'General case' 0 C--N 1.322 -0.607 0 CA-C-N 115.705 -0.68 . . . . 0.0 110.763 -178.247 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 54' ' ' ASN . . . . . 0.575 ' HA ' ' O ' ' A' ' 16' ' ' PHE . 64.0 t30 -138.51 100.92 4.22 Favored 'General case' 0 C--N 1.323 -0.56 0 N-CA-C 109.597 -0.52 . . . . 0.0 109.597 175.798 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . 179.74 165.3 33.51 Favored Glycine 0 N--CA 1.45 -0.395 0 C-N-CA 120.5 -0.857 . . . . 0.0 112.593 -178.037 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 17.4 m -106.22 103.29 12.73 Favored 'General case' 0 C--N 1.325 -0.495 0 CA-C-O 120.754 0.311 . . . . 0.0 110.651 -178.653 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 57' ' ' MET . . . . . . . . . . . . . 12.5 ptt? -162.77 -171.05 2.56 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.283 179.876 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 14.8 m -90.89 -171.22 2.94 Favored 'General case' 0 C--N 1.324 -0.526 0 C-N-CA 120.915 -0.314 . . . . 0.0 111.087 -178.556 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 59' ' ' VAL . . . . . 0.403 HG21 ' HE1' ' A' ' 36' ' ' MET . 24.2 t -66.28 -40.28 86.43 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.338 0 CA-C-N 116.578 -0.283 . . . . 0.0 111.366 -176.411 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 60' ' ' GLU . . . . . 0.725 ' O ' ' HG3' ' A' ' 64' ' ' ARG . 1.7 mp0 -50.31 -70.22 0.09 Allowed 'General case' 0 C--N 1.328 -0.338 0 O-C-N 123.607 0.567 . . . . 0.0 111.376 -175.659 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 61' ' ' GLN . . . . . 0.402 ' HA ' ' HD3' ' A' ' 64' ' ' ARG . 18.3 mm100 -62.2 -34.41 76.4 Favored 'General case' 0 C--N 1.328 -0.35 0 N-CA-C 111.762 0.282 . . . . 0.0 111.762 -174.313 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . -64.55 -53.63 34.1 Favored Glycine 0 N--CA 1.449 -0.495 0 C-N-CA 120.524 -0.846 . . . . 0.0 112.197 178.218 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 63' ' ' LEU . . . . . 0.551 HD12 ' CG ' ' A' ' 74' ' ' PHE . 1.3 tm? -67.49 -32.61 73.55 Favored 'General case' 0 C--N 1.326 -0.453 0 C-N-CA 122.466 0.306 . . . . 0.0 110.623 -176.414 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 64' ' ' ARG . . . . . 0.725 ' HG3' ' O ' ' A' ' 60' ' ' GLU . 71.7 mtp180 -51.92 -59.67 4.06 Favored 'General case' 0 C--O 1.235 0.298 0 CA-C-O 121.046 0.451 . . . . 0.0 110.555 176.578 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 65' ' ' ARG . . . . . . . . . . . . . 51.7 ttt180 -68.63 -33.79 74.62 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 115.441 -0.8 . . . . 0.0 110.856 -177.377 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 66' ' ' LEU . . . . . 0.541 ' HB3' ' CE ' ' A' ' 27' ' ' MET . 9.2 mt -59.03 -55.74 31.26 Favored 'General case' 0 C--N 1.324 -0.535 0 CA-C-N 115.511 -0.768 . . . . 0.0 112.866 -177.184 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 67' ' ' ILE . . . . . 0.517 HD12 HD11 ' A' ' 63' ' ' LEU . 10.6 mt -79.98 -61.59 1.68 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.345 0 N-CA-C 113.155 0.798 . . . . 0.0 113.155 -170.02 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . -112.38 -63.07 0.46 Allowed Glycine 0 N--CA 1.448 -0.549 0 C-N-CA 119.009 -1.567 . . . . 0.0 114.711 -169.015 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . 84.47 -21.77 10.06 Favored Glycine 0 CA--C 1.52 0.378 0 N-CA-C 110.499 -1.041 . . . . 0.0 110.499 -167.295 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 70' ' ' ASN . . . . . 0.512 ' HB2' ' HD2' ' A' ' 71' ' ' PRO . 27.5 p-10 -101.68 162.56 20.05 Favored Pre-proline 0 C--N 1.327 -0.386 0 C-N-CA 123.534 0.734 . . . . 0.0 109.191 175.314 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 71' ' ' PRO . . . . . 0.512 ' HD2' ' HB2' ' A' ' 70' ' ' ASN . 19.1 Cg_endo -59.25 97.72 0.1 Allowed 'Trans proline' 0 C--N 1.351 0.661 0 C-N-CA 122.552 2.168 . . . . 0.0 113.368 -179.087 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 72' ' ' VAL . . . . . . . . . . . . . 8.2 t -140.56 160.27 24.64 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.393 0 N-CA-C 107.69 -1.226 . . . . 0.0 107.69 174.708 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -117.56 129.72 55.96 Favored 'General case' 0 C--N 1.322 -0.596 0 C-N-CA 120.694 -0.402 . . . . 0.0 111.053 -179.549 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 74' ' ' PHE . . . . . 0.551 ' CG ' HD12 ' A' ' 63' ' ' LEU . 27.6 p90 -115.98 138.85 50.83 Favored 'General case' 0 C--N 1.325 -0.499 0 CA-C-O 121.05 0.452 . . . . 0.0 109.937 174.635 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 75' ' ' ARG . . . . . . . . . . . . . 82.6 mtp180 -114.97 119.62 37.13 Favored 'General case' 0 C--N 1.318 -0.795 0 CA-C-N 115.903 -0.589 . . . . 0.0 110.58 -178.406 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 76' ' ' LEU . . . . . . . . . . . . . 41.2 mt -87.53 99.19 11.85 Favored 'General case' 0 C--N 1.32 -0.712 0 N-CA-C 109.14 -0.689 . . . . 0.0 109.14 176.757 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 77' ' ' GLN . . . . . 0.431 ' HA ' ' HD3' ' A' ' 78' ' ' PRO . 14.9 mm100 -79.43 137.2 55.75 Favored Pre-proline 0 C--N 1.321 -0.649 0 CA-C-N 115.851 -0.613 . . . . 0.0 111.128 -174.03 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 78' ' ' PRO . . . . . 0.431 ' HD3' ' HA ' ' A' ' 77' ' ' GLN . 29.9 Cg_exo -62.8 -6.8 9.85 Favored 'Trans proline' 0 C--N 1.351 0.66 0 C-N-CA 123.566 2.844 . . . . 0.0 113.669 -177.039 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 79' ' ' GLN . . . . . . . . . . . . . 87.6 mm-40 -84.49 -4.49 58.97 Favored 'General case' 0 C--N 1.325 -0.476 0 CA-C-O 120.951 0.405 . . . . 0.0 110.108 176.058 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 80' ' ' GLY . . . . . 0.452 ' HA2' ' HG2' ' A' ' 36' ' ' MET . . . 92.5 39.01 5.44 Favored Glycine 0 N--CA 1.446 -0.697 0 CA-C-N 115.852 -0.613 . . . . 0.0 111.868 -179.997 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 81' ' ' GLN . . . . . 0.423 ' HA ' ' O ' ' A' ' 37' ' ' GLN . 51.8 mt-30 -133.3 130.87 39.5 Favored 'General case' 0 C--N 1.326 -0.443 0 CA-C-O 120.728 0.299 . . . . 0.0 110.867 -176.542 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 82' ' ' ILE . . . . . . . . . . . . . 51.7 mt -96.44 107.6 20.02 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.676 0 N-CA-C 109.451 -0.574 . . . . 0.0 109.451 175.247 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 83' ' ' VAL . . . . . . . . . . . . . 24.8 t -108.39 126.06 65.13 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.562 0 CA-C-N 116.306 -0.406 . . . . 0.0 110.393 -177.982 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 84' ' ' LEU . . . . . . . . . . . . . 21.5 tp -87.06 144.99 26.64 Favored 'General case' 0 C--N 1.322 -0.603 0 N-CA-C 109.461 -0.57 . . . . 0.0 109.461 178.066 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 85' ' ' SER . . . . . . . . . . . . . 47.7 m -143.57 143.29 31.44 Favored 'General case' 0 C--N 1.322 -0.589 0 CA-C-O 121.304 0.573 . . . . 0.0 111.425 -178.393 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 86' ' ' ARG . . . . . . . . . . . . . 38.9 ttm180 -102.7 76.38 1.5 Allowed 'General case' 0 C--N 1.324 -0.527 0 N-CA-C 108.775 -0.824 . . . . 0.0 108.775 177.233 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 87' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.324 -0.539 0 CA-C-N 115.34 -0.845 . . . . 0.0 111.292 -174.641 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 34.2 tt0 . . . . . 0 N--CA 1.454 -0.238 0 CA-C-O 120.734 0.302 . . . . 0.0 110.955 . . . . . . . . . 0 0 . 1 . 012 nuclear build core ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 13.9 pt20 -97.14 122.81 40.57 Favored 'General case' 0 C--N 1.323 -0.567 0 CA-C-O 121.091 0.472 . . . . 0.0 109.976 176.728 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 14' ' ' LYS . . . . . 0.552 ' O ' ' HA ' ' A' ' 56' ' ' SER . 30.2 mmmt -116.49 147.53 41.66 Favored 'General case' 0 C--N 1.321 -0.672 0 N-CA-C 109.64 -0.504 . . . . 0.0 109.64 -178.706 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 15' ' ' ASN . . . . . . . . . . . . . 27.0 t-20 -81.28 102.73 10.58 Favored 'General case' 0 C--N 1.321 -0.644 0 CA-C-O 120.973 0.416 . . . . 0.0 109.902 179.664 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 16' ' ' PHE . . . . . 0.401 ' CZ ' ' HB2' ' A' ' 14' ' ' LYS . 80.5 m-85 -99.26 150.45 22.09 Favored 'General case' 0 C--N 1.322 -0.623 0 CA-C-N 115.993 -0.549 . . . . 0.0 110.551 -178.522 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 2.1 p-10 -138.7 89.13 2.34 Favored 'General case' 0 C--N 1.324 -0.537 0 CA-C-O 121.583 0.706 . . . . 0.0 110.217 178.911 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 18' ' ' ILE . . . . . 0.407 HG12 HD12 ' A' ' 53' ' ' LEU . 19.4 mm -115.16 109.27 27.78 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.51 0 CA-C-N 115.888 -0.597 . . . . 0.0 110.718 -176.524 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -73.52 161.23 30.6 Favored 'General case' 0 C--N 1.324 -0.531 0 N-CA-C 108.29 -1.004 . . . . 0.0 108.29 169.507 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -68.0 101.34 1.11 Allowed 'General case' 0 C--N 1.328 -0.337 0 CA-C-O 121.617 0.722 . . . . 0.0 110.212 -176.414 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 21' ' ' GLN . . . . . . . . . . . . . 40.5 mt-30 -106.9 165.1 13.47 Favored Pre-proline 0 C--N 1.319 -0.747 0 CA-C-N 114.609 -1.178 . . . . 0.0 109.591 175.898 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 22' ' ' PRO . . . . . . . . . . . . . 36.2 Cg_exo -61.18 129.27 27.89 Favored 'Trans proline' 0 N--CA 1.461 -0.389 0 C-N-CA 121.553 1.502 . . . . 0.0 109.433 167.662 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 23' ' ' LEU . . . . . 0.47 HD12 ' HB3' ' A' ' 48' ' ' MET . 11.3 mt -51.64 -31.42 25.25 Favored 'General case' 0 CA--C 1.529 0.148 0 N-CA-C 113.565 0.95 . . . . 0.0 113.565 -168.042 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 71.1 mt-30 -63.64 -47.9 79.43 Favored 'General case' 0 C--N 1.326 -0.439 0 CA-C-O 121.181 0.515 . . . . 0.0 110.718 178.446 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 7.7 m -84.74 -24.18 28.94 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-N 115.795 -0.638 . . . . 0.0 110.71 -178.732 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -59.66 -52.98 63.2 Favored 'General case' 0 CA--C 1.517 -0.288 0 CA-C-O 121.253 0.549 . . . . 0.0 110.612 177.157 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 27' ' ' MET . . . . . 0.497 ' O ' ' HB3' ' A' ' 31' ' ' ALA . 22.9 mmt -74.89 -14.24 60.64 Favored 'General case' 0 C--O 1.218 -0.57 0 CA-C-N 115.476 -0.784 . . . . 0.0 110.556 -179.113 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 28' ' ' LEU . . . . . 0.479 ' O ' ' HG3' ' A' ' 32' ' ' GLU . 63.7 tp -66.93 -60.04 2.98 Favored 'General case' 0 C--N 1.318 -0.795 0 N-CA-C 108.592 -0.892 . . . . 0.0 108.592 170.737 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 29' ' ' ARG . . . . . 0.548 ' HA ' ' NE ' ' A' ' 29' ' ' ARG . 1.4 mmp_? -56.89 -46.66 81.76 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 121.04 0.447 . . . . 0.0 111.39 179.246 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 22.5 t80 -68.26 -57.21 6.34 Favored 'General case' 0 C--N 1.323 -0.573 0 CA-C-N 115.801 -0.636 . . . . 0.0 111.898 -178.16 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 31' ' ' ALA . . . . . 0.497 ' HB3' ' O ' ' A' ' 27' ' ' MET . . . -78.18 -17.88 56.22 Favored 'General case' 0 C--N 1.322 -0.593 0 N-CA-C 112.304 0.483 . . . . 0.0 112.304 -169.332 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 32' ' ' GLU . . . . . 0.479 ' HG3' ' O ' ' A' ' 28' ' ' LEU . 31.2 mt-10 -55.07 -37.86 67.32 Favored 'General case' 0 N--CA 1.471 0.58 0 CA-C-O 121.39 0.614 . . . . 0.0 109.515 170.644 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 33' ' ' GLN . . . . . . . . . . . . . 45.9 mt-30 -79.24 -21.28 46.41 Favored 'General case' 0 C--N 1.325 -0.465 0 CA-C-N 115.05 -0.977 . . . . 0.0 110.824 179.914 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -101.68 9.14 41.29 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-N 116.147 -0.479 . . . . 0.0 111.655 -178.646 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 64.54 36.55 93.3 Favored Glycine 0 CA--C 1.519 0.287 0 CA-C-N 116.099 -0.5 . . . . 0.0 112.919 178.114 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 36' ' ' MET . . . . . . . . . . . . . 73.9 mtm -146.83 176.5 9.83 Favored 'General case' 0 C--N 1.326 -0.443 0 N-CA-C 109.876 -0.416 . . . . 0.0 109.876 -178.064 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 37' ' ' GLN . . . . . . . . . . . . . 25.1 mt-30 -153.5 154.88 35.2 Favored 'General case' 0 C--N 1.327 -0.372 0 N-CA-C 109.996 -0.372 . . . . 0.0 109.996 172.29 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 38' ' ' VAL . . . . . 0.433 ' CG1' ' HB2' ' A' ' 27' ' ' MET . 7.6 p -78.14 117.51 23.58 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.36 0 CA-C-O 121.306 0.574 . . . . 0.0 110.09 179.288 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 39' ' ' PHE . . . . . . . . . . . . . 55.7 t80 -122.29 135.46 54.74 Favored 'General case' 0 C--N 1.32 -0.708 0 CA-C-N 116.034 -0.53 . . . . 0.0 110.312 -176.473 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 40' ' ' PHE . . . . . . . . . . . . . 19.1 p90 -147.07 143.68 28.52 Favored 'General case' 0 C--N 1.319 -0.753 0 CA-C-N 115.625 -0.716 . . . . 0.0 109.77 178.884 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 9.1 m-20 -73.62 -168.63 0.59 Allowed 'General case' 0 C--N 1.326 -0.45 0 CA-C-N 115.723 -0.672 . . . . 0.0 110.688 -179.168 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 46.2 mt-10 -62.35 94.53 0.06 Allowed 'General case' 0 C--N 1.328 -0.337 0 CA-C-O 121.255 0.55 . . . . 0.0 111.814 179.892 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 43' ' ' VAL . . . . . . . . . . . . . 7.1 p -150.72 134.97 8.82 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.767 0 CA-C-N 115.418 -0.81 . . . . 0.0 109.057 175.707 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 39.4 ttpt -79.12 110.74 14.65 Favored 'General case' 0 C--N 1.322 -0.621 0 CA-C-O 120.833 0.349 . . . . 0.0 110.294 -178.098 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 82.1 mt -115.22 100.11 7.9 Favored 'General case' 0 C--N 1.322 -0.62 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.107 179.397 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 17.6 t70 -112.28 133.13 54.57 Favored 'General case' 0 C--N 1.323 -0.563 0 CA-C-N 116.038 -0.528 . . . . 0.0 110.28 179.674 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 81.99 22.21 59.8 Favored Glycine 0 N--CA 1.448 -0.528 0 C-N-CA 120.72 -0.753 . . . . 0.0 112.848 177.424 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 48' ' ' MET . . . . . 0.47 ' HB3' HD12 ' A' ' 23' ' ' LEU . 18.9 mmt -80.62 118.37 22.13 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-O 121.041 0.448 . . . . 0.0 110.027 178.113 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 8.7 tt0 -131.72 143.82 50.54 Favored 'General case' 0 C--N 1.324 -0.521 0 CA-C-N 115.822 -0.627 . . . . 0.0 110.115 -174.089 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -83.02 153.03 25.15 Favored 'General case' 0 C--N 1.325 -0.495 0 CA-C-N 116.03 -0.532 . . . . 0.0 110.969 -178.121 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -88.37 169.27 11.96 Favored 'General case' 0 C--N 1.324 -0.5 0 CA-C-N 115.745 -0.662 . . . . 0.0 111.063 -179.841 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -68.52 104.65 1.98 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 115.965 -0.561 . . . . 0.0 110.96 -179.513 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 53' ' ' LEU . . . . . 0.463 ' CB ' HD13 ' A' ' 66' ' ' LEU . 3.4 tm? -121.16 108.12 13.4 Favored 'General case' 0 C--N 1.322 -0.609 0 CA-C-N 115.865 -0.607 . . . . 0.0 109.742 -178.304 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 54' ' ' ASN . . . . . . . . . . . . . 7.2 t30 -149.01 98.87 2.9 Favored 'General case' 0 C--N 1.323 -0.574 0 CA-C-N 116.033 -0.53 . . . . 0.0 109.739 177.35 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . 177.94 174.1 43.96 Favored Glycine 0 N--CA 1.447 -0.601 0 C-N-CA 120.777 -0.725 . . . . 0.0 112.096 -179.407 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 56' ' ' SER . . . . . 0.552 ' HA ' ' O ' ' A' ' 14' ' ' LYS . 24.5 t -97.9 104.33 16.35 Favored 'General case' 0 C--N 1.322 -0.587 0 N-CA-C 109.822 -0.436 . . . . 0.0 109.822 176.696 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 57' ' ' MET . . . . . 0.449 ' SD ' ' HA2' ' A' ' 62' ' ' GLY . 20.7 ptp -150.83 173.0 14.74 Favored 'General case' 0 C--N 1.323 -0.559 0 CA-C-N 116.297 -0.41 . . . . 0.0 110.418 -177.708 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 48.2 m -92.57 166.97 12.24 Favored 'General case' 0 C--N 1.325 -0.482 0 CA-C-N 116.394 -0.366 . . . . 0.0 111.084 -178.814 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 59' ' ' VAL . . . . . 0.406 ' O ' HD23 ' A' ' 63' ' ' LEU . 96.9 t -52.39 -48.2 45.61 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.411 0 O-C-N 123.42 0.45 . . . . 0.0 111.272 -179.431 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 60' ' ' GLU . . . . . 0.474 ' O ' ' HG3' ' A' ' 64' ' ' ARG . 20.4 mp0 -55.81 -33.86 64.81 Favored 'General case' 0 C--N 1.326 -0.438 0 CA-C-N 116.061 -0.518 . . . . 0.0 111.959 -178.41 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 61' ' ' GLN . . . . . . . . . . . . . 86.5 mm-40 -89.52 -42.21 11.58 Favored 'General case' 0 C--N 1.324 -0.529 0 CA-C-O 120.684 0.278 . . . . 0.0 110.918 -177.226 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 62' ' ' GLY . . . . . 0.449 ' HA2' ' SD ' ' A' ' 57' ' ' MET . . . -62.59 -49.72 70.9 Favored Glycine 0 N--CA 1.448 -0.56 0 C-N-CA 121.094 -0.574 . . . . 0.0 112.579 -176.93 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 63' ' ' LEU . . . . . 0.615 HD12 HD11 ' A' ' 67' ' ' ILE . 4.4 mm? -60.17 -33.98 72.96 Favored 'General case' 0 C--N 1.327 -0.382 0 N-CA-C 111.576 0.214 . . . . 0.0 111.576 -177.097 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 64' ' ' ARG . . . . . 0.474 ' HG3' ' O ' ' A' ' 60' ' ' GLU . 52.2 mtt180 -57.29 -50.13 73.88 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-O 120.877 0.37 . . . . 0.0 110.957 -179.479 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 65' ' ' ARG . . . . . . . . . . . . . 71.0 mtp180 -79.07 -38.11 37.16 Favored 'General case' 0 C--N 1.322 -0.61 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.261 -179.642 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 66' ' ' LEU . . . . . 0.463 HD13 ' CB ' ' A' ' 53' ' ' LEU . 46.0 tp -69.4 -37.28 77.42 Favored 'General case' 0 C--N 1.324 -0.526 0 N-CA-C 112.984 0.735 . . . . 0.0 112.984 -170.898 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 67' ' ' ILE . . . . . 0.615 HD11 HD12 ' A' ' 63' ' ' LEU . 43.2 mt -80.84 -65.02 0.85 Allowed 'Isoleucine or valine' 0 C--N 1.331 -0.214 0 N-CA-C 113.206 0.817 . . . . 0.0 113.206 -171.782 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . -114.2 -63.25 0.41 Allowed Glycine 0 N--CA 1.449 -0.494 0 C-N-CA 118.905 -1.617 . . . . 0.0 115.297 -167.267 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . 83.18 -15.32 34.25 Favored Glycine 0 CA--C 1.521 0.432 0 N-CA-C 110.259 -1.136 . . . . 0.0 110.259 -166.352 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 70' ' ' ASN . . . . . . . . . . . . . 72.3 m-20 -100.68 165.68 13.88 Favored Pre-proline 0 C--N 1.328 -0.338 0 N-CA-C 108.827 -0.805 . . . . 0.0 108.827 176.674 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 71' ' ' PRO . . . . . . . . . . . . . 17.5 Cg_exo -67.31 95.45 0.38 Allowed 'Trans proline' 0 C--N 1.346 0.414 0 C-N-CA 121.723 1.615 . . . . 0.0 111.659 176.708 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 72' ' ' VAL . . . . . . . . . . . . . 12.4 p -152.49 160.39 3.27 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.607 0 N-CA-C 108.216 -1.031 . . . . 0.0 108.216 178.0 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 73' ' ' ALA . . . . . 0.433 ' HB3' HD23 ' A' ' 87' ' ' LEU . . . -122.24 142.08 50.82 Favored 'General case' 0 C--N 1.32 -0.695 0 CA-C-O 121.031 0.444 . . . . 0.0 111.529 -177.978 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 74' ' ' PHE . . . . . . . . . . . . . 15.6 p90 -106.17 126.34 52.09 Favored 'General case' 0 C--N 1.318 -0.772 0 CA-C-N 115.856 -0.611 . . . . 0.0 110.135 174.408 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 75' ' ' ARG . . . . . 0.44 HH11 ' HD3' ' A' ' 75' ' ' ARG . 15.9 ttm180 -107.08 115.95 31.07 Favored 'General case' 0 C--N 1.321 -0.664 0 CA-C-N 116.05 -0.523 . . . . 0.0 109.759 -179.177 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 76' ' ' LEU . . . . . . . . . . . . . 94.2 mt -86.57 103.26 14.9 Favored 'General case' 0 C--N 1.323 -0.564 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.746 -178.764 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 77' ' ' GLN . . . . . . . . . . . . . 13.5 mm100 -72.97 130.01 85.66 Favored Pre-proline 0 C--N 1.323 -0.545 0 N-CA-C 109.344 -0.613 . . . . 0.0 109.344 177.391 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 78' ' ' PRO . . . . . . . . . . . . . 37.0 Cg_exo -61.39 -13.29 28.15 Favored 'Trans proline' 0 C--N 1.347 0.468 0 C-N-CA 122.852 2.368 . . . . 0.0 111.77 177.171 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 79' ' ' GLN . . . . . . . . . . . . . 36.7 mt-30 -69.66 -21.42 63.53 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 115.154 -0.93 . . . . 0.0 110.357 175.871 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . 107.74 33.34 3.1 Favored Glycine 0 N--CA 1.448 -0.527 0 C-N-CA 120.981 -0.628 . . . . 0.0 112.293 -179.202 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 81' ' ' GLN . . . . . . . . . . . . . 98.8 mt-30 -127.58 141.26 51.68 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-O 120.845 0.355 . . . . 0.0 111.099 -178.024 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 82' ' ' ILE . . . . . . . . . . . . . 56.3 mt -103.36 99.43 8.39 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.708 0 N-CA-C 108.926 -0.768 . . . . 0.0 108.926 173.508 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 83' ' ' VAL . . . . . . . . . . . . . 41.4 t -110.3 129.54 65.17 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.638 0 CA-C-N 116.045 -0.525 . . . . 0.0 109.887 -178.16 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 84' ' ' LEU . . . . . . . . . . . . . 9.9 mp -82.07 145.77 30.01 Favored 'General case' 0 C--N 1.321 -0.664 0 CA-C-O 121.177 0.513 . . . . 0.0 111.026 -178.837 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 85' ' ' SER . . . . . . . . . . . . . 21.4 m -133.4 159.09 41.36 Favored 'General case' 0 C--N 1.319 -0.727 0 CA-C-N 115.681 -0.691 . . . . 0.0 109.633 -179.804 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 86' ' ' ARG . . . . . . . . . . . . . 56.2 ttt180 -100.7 103.13 14.38 Favored 'General case' 0 C--N 1.325 -0.478 0 CA-C-O 121.072 0.463 . . . . 0.0 110.735 -179.547 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 87' ' ' LEU . . . . . 0.433 HD23 ' HB3' ' A' ' 73' ' ' ALA . 3.6 mm? . . . . . 0 C--N 1.321 -0.669 0 CA-C-N 115.791 -0.64 . . . . 0.0 110.121 177.789 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 8.5 tt0 . . . . . 0 N--CA 1.453 -0.289 0 CA-C-O 121.006 0.431 . . . . 0.0 110.425 . . . . . . . . . 0 0 . 1 . 013 nuclear build core ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 93.4 mt-30 -91.94 134.74 34.51 Favored 'General case' 0 C--N 1.322 -0.59 0 CA-C-N 115.98 -0.554 . . . . 0.0 109.784 178.242 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 14' ' ' LYS . . . . . 0.583 ' HB2' ' CE2' ' A' ' 16' ' ' PHE . 29.1 mmmt -108.72 149.32 29.17 Favored 'General case' 0 C--N 1.322 -0.612 0 N-CA-C 109.869 -0.419 . . . . 0.0 109.869 -175.307 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 15' ' ' ASN . . . . . . . . . . . . . 4.4 m-20 -80.44 99.45 8.0 Favored 'General case' 0 C--N 1.321 -0.673 0 CA-C-N 116.461 -0.336 . . . . 0.0 110.482 -178.781 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 16' ' ' PHE . . . . . 0.583 ' CE2' ' HB2' ' A' ' 14' ' ' LYS . 59.6 m-85 -103.18 136.97 41.98 Favored 'General case' 0 C--N 1.324 -0.542 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.039 -179.158 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 15.6 m120 -137.91 89.82 2.44 Favored 'General case' 0 C--N 1.325 -0.477 0 CA-C-N 115.74 -0.664 . . . . 0.0 109.733 179.42 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 18' ' ' ILE . . . . . 0.409 ' HB ' ' HB3' ' A' ' 53' ' ' LEU . 17.0 mm -112.65 110.05 30.8 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.689 0 CA-C-N 115.801 -0.636 . . . . 0.0 110.368 -175.362 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 19' ' ' ALA . . . . . 0.414 ' O ' ' HG3' ' A' ' 21' ' ' GLN . . . -67.45 158.45 31.78 Favored 'General case' 0 C--N 1.325 -0.486 0 N-CA-C 109.233 -0.654 . . . . 0.0 109.233 173.32 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -69.29 102.35 1.71 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 121.322 0.582 . . . . 0.0 110.714 -176.35 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 21' ' ' GLN . . . . . 0.414 ' HG3' ' O ' ' A' ' 19' ' ' ALA . 67.8 mt-30 -106.96 172.55 3.75 Favored Pre-proline 0 C--N 1.323 -0.584 0 CA-C-N 115.049 -0.978 . . . . 0.0 110.612 179.119 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 22' ' ' PRO . . . . . . . . . . . . . 35.0 Cg_exo -59.65 130.04 33.56 Favored 'Trans proline' 0 C--N 1.349 0.568 0 C-N-CA 121.857 1.705 . . . . 0.0 109.369 165.337 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -49.31 -43.51 43.54 Favored 'General case' 0 N--CA 1.469 0.495 0 N-CA-C 112.987 0.736 . . . . 0.0 112.987 -167.339 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 24' ' ' GLN . . . . . 0.574 ' O ' ' HG ' ' A' ' 28' ' ' LEU . 80.2 mt-30 -62.74 -50.24 71.87 Favored 'General case' 0 C--N 1.325 -0.47 0 CA-C-O 120.728 0.299 . . . . 0.0 110.696 -179.111 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 17.5 m -72.19 -25.37 61.65 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-O 120.985 0.421 . . . . 0.0 110.826 179.946 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -56.47 -54.8 41.47 Favored 'General case' 0 CA--C 1.512 -0.507 0 CA-C-N 115.611 -0.722 . . . . 0.0 111.213 179.489 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 27' ' ' MET . . . . . 0.633 ' HB2' ' CG1' ' A' ' 38' ' ' VAL . 18.9 mmt -78.41 -13.69 59.73 Favored 'General case' 0 C--N 1.318 -0.804 0 CA-C-N 115.207 -0.906 . . . . 0.0 111.058 -173.728 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 28' ' ' LEU . . . . . 0.574 ' HG ' ' O ' ' A' ' 24' ' ' GLN . 77.1 mt -70.47 -24.07 62.8 Favored 'General case' 0 C--N 1.324 -0.536 0 C-N-CA 119.998 -0.681 . . . . 0.0 109.289 172.59 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 29' ' ' ARG . . . . . 0.586 ' NE ' ' HA ' ' A' ' 29' ' ' ARG . 2.4 mmp_? -84.97 -50.46 7.46 Favored 'General case' 0 C--N 1.325 -0.484 0 CA-C-N 116.292 -0.413 . . . . 0.0 110.074 173.949 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 30' ' ' PHE . . . . . 0.449 ' HB3' ' HA ' ' A' ' 27' ' ' MET . 38.4 t80 -62.1 -55.93 23.93 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 115.833 -0.621 . . . . 0.0 111.648 179.896 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -72.29 -42.77 65.13 Favored 'General case' 0 C--N 1.322 -0.629 0 CA-C-N 116.141 -0.481 . . . . 0.0 112.103 -171.467 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 32' ' ' GLU . . . . . 0.485 ' HB2' ' O ' ' A' ' 28' ' ' LEU . 5.3 mm-40 -65.3 -22.72 66.87 Favored 'General case' 0 N--CA 1.465 0.316 0 C-N-CA 120.567 -0.453 . . . . 0.0 111.25 -176.66 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 33' ' ' GLN . . . . . . . . . . . . . 24.9 mm-40 -79.17 -29.49 43.02 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-O 120.992 0.425 . . . . 0.0 110.366 173.327 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -89.32 -9.85 48.95 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.006 -0.543 . . . . 0.0 111.546 179.624 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 97.32 27.79 9.01 Favored Glycine 0 CA--C 1.52 0.399 0 C-N-CA 121.059 -0.591 . . . . 0.0 112.704 178.851 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 36' ' ' MET . . . . . . . . . . . . . 71.8 mtm -136.69 175.56 9.5 Favored 'General case' 0 C--N 1.324 -0.522 0 C-N-CA 122.6 0.36 . . . . 0.0 110.392 -178.787 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 37' ' ' GLN . . . . . 0.513 ' O ' ' HA ' ' A' ' 81' ' ' GLN . 53.7 tt0 -152.57 160.95 43.18 Favored 'General case' 0 C--N 1.324 -0.537 0 N-CA-C 109.025 -0.731 . . . . 0.0 109.025 176.878 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 38' ' ' VAL . . . . . 0.633 ' CG1' ' HB2' ' A' ' 27' ' ' MET . 31.6 m -76.97 145.54 10.05 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.389 0 CA-C-O 120.806 0.336 . . . . 0.0 111.227 -176.578 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 39' ' ' PHE . . . . . 0.435 ' HB2' ' HB3' ' A' ' 81' ' ' GLN . 92.5 t80 -115.04 98.62 6.91 Favored 'General case' 0 C--N 1.324 -0.529 0 N-CA-C 109.645 -0.502 . . . . 0.0 109.645 174.683 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 40' ' ' PHE . . . . . . . . . . . . . 93.1 m-85 -146.92 137.1 23.48 Favored 'General case' 0 C--N 1.321 -0.649 0 CA-C-N 115.638 -0.71 . . . . 0.0 109.595 179.013 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 8.7 p-10 -83.77 -159.64 0.39 Allowed 'General case' 0 C--N 1.325 -0.475 0 N-CA-C 109.411 -0.588 . . . . 0.0 109.411 177.107 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 46.4 mt-10 -67.34 89.07 0.2 Allowed 'General case' 0 C--N 1.325 -0.458 0 CA-C-O 121.179 0.514 . . . . 0.0 110.599 179.208 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 43' ' ' VAL . . . . . . . . . . . . . 7.0 p -123.02 121.27 62.75 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.68 0 CA-C-N 115.806 -0.633 . . . . 0.0 109.613 177.849 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 27.1 ttpp -125.32 100.66 6.61 Favored 'General case' 0 C--N 1.318 -0.771 0 CA-C-N 115.962 -0.563 . . . . 0.0 110.145 -177.216 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 35.0 tp -131.55 120.06 22.37 Favored 'General case' 0 C--N 1.321 -0.636 0 CA-C-N 116.043 -0.526 . . . . 0.0 110.163 -178.164 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 32.3 t70 -72.81 120.37 18.34 Favored 'General case' 0 C--N 1.323 -0.56 0 CA-C-N 116.318 -0.401 . . . . 0.0 110.228 179.693 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 123.41 4.13 8.39 Favored Glycine 0 N--CA 1.443 -0.861 0 C-N-CA 120.71 -0.757 . . . . 0.0 112.317 -177.839 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 48' ' ' MET . . . . . . . . . . . . . 53.5 mtt -75.65 117.73 17.73 Favored 'General case' 0 C--N 1.327 -0.374 0 N-CA-C 109.703 -0.48 . . . . 0.0 109.703 174.727 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 14.4 pt20 -153.21 155.47 36.7 Favored 'General case' 0 C--N 1.322 -0.626 0 CA-C-N 116.491 -0.322 . . . . 0.0 110.327 -176.42 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -102.09 145.95 28.62 Favored 'General case' 0 C--N 1.32 -0.708 0 CA-C-N 116.123 -0.489 . . . . 0.0 110.464 178.849 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -78.17 160.52 27.95 Favored 'General case' 0 C--N 1.323 -0.573 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.281 177.067 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -69.3 92.68 0.59 Allowed 'General case' 0 C--N 1.327 -0.4 0 CA-C-O 121.173 0.511 . . . . 0.0 111.154 -178.5 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 53' ' ' LEU . . . . . 0.409 ' HB3' ' HB ' ' A' ' 18' ' ' ILE . 3.0 tm? -91.38 123.81 35.09 Favored 'General case' 0 C--N 1.324 -0.541 0 CA-C-N 115.572 -0.74 . . . . 0.0 109.802 -179.201 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 54' ' ' ASN . . . . . . . . . . . . . 20.3 p-10 -157.76 99.19 1.69 Allowed 'General case' 0 C--N 1.322 -0.596 0 CA-C-O 121.327 0.584 . . . . 0.0 110.49 176.43 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . 178.37 161.63 26.66 Favored Glycine 0 N--CA 1.445 -0.766 0 C-N-CA 120.335 -0.935 . . . . 0.0 112.624 179.29 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 4.0 p -84.08 99.71 10.64 Favored 'General case' 0 C--N 1.321 -0.651 0 CA-C-O 121.13 0.49 . . . . 0.0 109.772 174.211 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 57' ' ' MET . . . . . 0.46 ' HB2' ' HB2' ' A' ' 61' ' ' GLN . 23.1 ptp -155.2 168.52 26.78 Favored 'General case' 0 C--N 1.322 -0.616 0 CA-C-N 115.922 -0.581 . . . . 0.0 110.146 -174.483 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 13.3 m -99.2 178.0 5.04 Favored 'General case' 0 C--N 1.322 -0.619 0 CA-C-N 116.45 -0.341 . . . . 0.0 110.552 179.789 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 59' ' ' VAL . . . . . . . . . . . . . 24.9 t -58.85 -40.46 80.08 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.293 0 CA-C-O 120.585 0.231 . . . . 0.0 111.152 -175.774 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 22.3 mm-40 -51.67 -38.4 54.78 Favored 'General case' 0 C--N 1.331 -0.213 0 CA-C-N 115.912 -0.585 . . . . 0.0 111.589 178.671 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 61' ' ' GLN . . . . . 0.46 ' HB2' ' HB2' ' A' ' 57' ' ' MET . 32.0 mt-30 -90.95 -47.46 7.57 Favored 'General case' 0 C--N 1.323 -0.577 0 CA-C-N 115.721 -0.672 . . . . 0.0 110.49 -177.555 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 62' ' ' GLY . . . . . 0.452 ' O ' ' HB2' ' A' ' 66' ' ' LEU . . . -63.88 -59.92 7.97 Favored Glycine 0 C--O 1.225 -0.418 0 CA-C-N 115.303 -0.862 . . . . 0.0 113.034 -174.789 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 63' ' ' LEU . . . . . 0.469 ' O ' HD13 ' A' ' 63' ' ' LEU . 1.3 tm? -56.73 -38.16 71.98 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-O 121.386 0.612 . . . . 0.0 109.782 -177.478 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 64' ' ' ARG . . . . . . . . . . . . . 47.4 ttt180 -51.12 -60.14 3.42 Favored 'General case' 0 N--CA 1.446 -0.666 0 CA-C-N 114.9 -1.046 . . . . 0.0 111.446 177.92 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 65' ' ' ARG . . . . . . . . . . . . . 96.7 mtt180 -77.46 -22.31 51.59 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 116.373 -0.376 . . . . 0.0 111.294 -178.236 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 66' ' ' LEU . . . . . 0.452 ' HB2' ' O ' ' A' ' 62' ' ' GLY . 1.0 OUTLIER -65.5 -41.53 93.14 Favored 'General case' 0 C--N 1.323 -0.554 0 CA-C-N 115.872 -0.603 . . . . 0.0 112.247 -176.122 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 67' ' ' ILE . . . . . 0.416 HG21 ' CD1' ' A' ' 84' ' ' LEU . 13.8 mt -90.05 -63.56 1.34 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 N-CA-C 113.541 0.941 . . . . 0.0 113.541 -170.819 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . -113.51 -61.61 0.42 Allowed Glycine 0 N--CA 1.448 -0.531 0 C-N-CA 119.095 -1.526 . . . . 0.0 114.563 -169.042 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . 91.16 -20.71 38.54 Favored Glycine 0 N--CA 1.45 -0.368 0 N-CA-C 109.885 -1.286 . . . . 0.0 109.885 -166.136 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 70' ' ' ASN . . . . . . . . . . . . . 16.7 m120 -101.54 155.91 35.81 Favored Pre-proline 0 C--N 1.329 -0.306 0 CA-C-N 114.77 -0.715 . . . . 0.0 109.595 176.153 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 71' ' ' PRO . . . . . . . . . . . . . 30.7 Cg_endo -64.69 98.21 0.29 Allowed 'Trans proline' 0 C--N 1.346 0.414 0 C-N-CA 122.625 2.217 . . . . 0.0 113.515 -177.861 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 72' ' ' VAL . . . . . . . . . . . . . 0.2 OUTLIER -138.3 159.8 32.12 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.4 0 N-CA-C 107.01 -1.478 . . . . 0.0 107.01 171.977 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 73' ' ' ALA . . . . . 0.411 ' HB3' HD23 ' A' ' 87' ' ' LEU . . . -113.71 119.26 36.78 Favored 'General case' 0 C--N 1.325 -0.483 0 CA-C-N 118.697 0.681 . . . . 0.0 112.23 -168.85 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 74' ' ' PHE . . . . . 0.467 ' CD2' HD12 ' A' ' 63' ' ' LEU . 35.3 p90 -113.27 151.47 31.06 Favored 'General case' 0 C--N 1.322 -0.6 0 N-CA-C 109.682 -0.488 . . . . 0.0 109.682 177.317 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 75' ' ' ARG . . . . . . . . . . . . . 20.4 ptp180 -136.74 137.68 40.15 Favored 'General case' 0 C--N 1.325 -0.496 0 C-N-CA 120.626 -0.429 . . . . 0.0 110.442 -179.824 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 76' ' ' LEU . . . . . 0.449 HD12 HG12 ' A' ' 82' ' ' ILE . 1.8 mm? -95.83 103.52 15.41 Favored 'General case' 0 C--N 1.323 -0.549 0 N-CA-C 109.389 -0.597 . . . . 0.0 109.389 179.008 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 77' ' ' GLN . . . . . . . . . . . . . 11.9 mm100 -67.96 144.29 97.01 Favored Pre-proline 0 C--N 1.323 -0.578 0 CA-C-N 116.367 -0.378 . . . . 0.0 110.331 -178.725 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 78' ' ' PRO . . . . . . . . . . . . . 35.1 Cg_endo -64.98 -7.13 14.31 Favored 'Trans proline' 0 C--N 1.349 0.569 0 C-N-CA 123.165 2.577 . . . . 0.0 112.984 -174.826 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 79' ' ' GLN . . . . . . . . . . . . . 75.5 mt-30 -86.92 -3.25 59.06 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-O 121.246 0.546 . . . . 0.0 110.004 175.389 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . 86.8 49.15 4.18 Favored Glycine 0 N--CA 1.443 -0.873 0 CA-C-N 115.622 -0.717 . . . . 0.0 111.64 -177.618 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 81' ' ' GLN . . . . . 0.513 ' HA ' ' O ' ' A' ' 37' ' ' GLN . 35.8 mt-30 -126.91 136.34 52.17 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-O 120.789 0.328 . . . . 0.0 110.903 -178.287 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 82' ' ' ILE . . . . . 0.449 HG12 HD12 ' A' ' 76' ' ' LEU . 39.9 mt -102.22 118.19 48.7 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.617 0 CA-C-N 115.967 -0.561 . . . . 0.0 109.764 175.542 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 83' ' ' VAL . . . . . . . . . . . . . 12.5 p -134.21 140.98 44.96 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.592 0 CA-C-O 121.069 0.461 . . . . 0.0 110.527 178.641 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 84' ' ' LEU . . . . . 0.48 HD23 ' N ' ' A' ' 85' ' ' SER . 1.6 tt -108.82 135.02 50.72 Favored 'General case' 0 N--CA 1.444 -0.765 0 N-CA-C 109.185 -0.672 . . . . 0.0 109.185 -177.415 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 85' ' ' SER . . . . . 0.48 ' N ' HD23 ' A' ' 84' ' ' LEU . 10.9 p -122.21 128.37 51.1 Favored 'General case' 0 C--N 1.322 -0.63 0 N-CA-C 109.592 -0.521 . . . . 0.0 109.592 179.353 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 86' ' ' ARG . . . . . . . . . . . . . 50.5 ttp180 -88.53 95.15 10.12 Favored 'General case' 0 C--N 1.322 -0.616 0 CA-C-O 121.266 0.555 . . . . 0.0 110.633 -176.949 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 87' ' ' LEU . . . . . 0.428 HD13 ' HA ' ' A' ' 87' ' ' LEU . 3.2 mm? . . . . . 0 C--N 1.32 -0.683 0 CA-C-N 115.55 -0.75 . . . . 0.0 109.813 175.722 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 10.7 pt20 . . . . . 0 N--CA 1.453 -0.298 0 CA-C-O 121.064 0.459 . . . . 0.0 110.139 . . . . . . . . . 0 0 . 1 . 014 nuclear build core ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 88.8 mt-30 -96.03 117.22 30.24 Favored 'General case' 0 C--N 1.321 -0.673 0 CA-C-O 121.05 0.452 . . . . 0.0 110.604 178.556 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 14' ' ' LYS . . . . . 0.476 ' HB2' ' CE2' ' A' ' 16' ' ' PHE . 46.0 mmtm -109.85 146.37 35.19 Favored 'General case' 0 C--N 1.315 -0.904 0 CA-C-N 115.63 -0.714 . . . . 0.0 109.646 176.204 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 15' ' ' ASN . . . . . . . . . . . . . 4.8 m-20 -80.0 103.25 9.76 Favored 'General case' 0 C--N 1.322 -0.587 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.244 179.973 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 16' ' ' PHE . . . . . 0.476 ' CE2' ' HB2' ' A' ' 14' ' ' LYS . 68.2 m-85 -109.68 132.59 54.01 Favored 'General case' 0 C--N 1.321 -0.657 0 CA-C-N 115.851 -0.613 . . . . 0.0 110.745 -179.548 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 48.5 t-20 -143.07 100.56 3.66 Favored 'General case' 0 C--N 1.322 -0.615 0 N-CA-C 108.735 -0.839 . . . . 0.0 108.735 173.777 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 18' ' ' ILE . . . . . . . . . . . . . 5.6 mt -123.46 110.06 25.04 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.648 0 CA-C-N 116.065 -0.516 . . . . 0.0 110.42 -176.266 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -63.85 147.65 51.31 Favored 'General case' 0 C--N 1.326 -0.427 0 N-CA-C 108.991 -0.744 . . . . 0.0 108.991 172.333 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -63.36 103.41 0.5 Allowed 'General case' 0 C--N 1.33 -0.254 0 CA-C-O 121.602 0.715 . . . . 0.0 111.248 -173.383 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 21' ' ' GLN . . . . . 0.406 ' HB3' ' HD2' ' A' ' 22' ' ' PRO . 38.8 mt-30 -106.38 172.57 3.8 Favored Pre-proline 0 C--N 1.317 -0.821 0 CA-C-N 114.727 -1.124 . . . . 0.0 109.953 175.685 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 22' ' ' PRO . . . . . 0.406 ' HD2' ' HB3' ' A' ' 21' ' ' GLN . 69.7 Cg_exo -52.66 135.01 55.47 Favored 'Trans proline' 0 C--N 1.345 0.393 0 C-N-CA 121.819 1.68 . . . . 0.0 109.867 166.327 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -55.07 -34.58 63.73 Favored 'General case' 0 N--CA 1.463 0.21 0 CA-C-N 115.385 -0.825 . . . . 0.0 112.148 -168.35 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 18.1 mp0 -65.07 -47.0 78.83 Favored 'General case' 0 C--N 1.325 -0.462 0 CA-C-O 120.987 0.422 . . . . 0.0 110.174 179.718 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 12.7 m -74.81 -30.54 61.44 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-N 115.717 -0.674 . . . . 0.0 110.864 -178.404 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -56.78 -57.95 10.21 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 115.93 -0.577 . . . . 0.0 111.253 -179.268 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 27' ' ' MET . . . . . 0.641 ' HE3' ' HB3' ' A' ' 66' ' ' LEU . 10.8 mmt -82.73 -14.08 55.18 Favored 'General case' 0 CA--C 1.507 -0.676 0 CA-C-N 116.03 -0.532 . . . . 0.0 110.274 -177.409 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 28' ' ' LEU . . . . . 0.62 ' O ' ' HG3' ' A' ' 32' ' ' GLU . 9.7 tt -61.42 -47.83 83.96 Favored 'General case' 0 C--N 1.322 -0.596 0 N-CA-C 107.833 -1.173 . . . . 0.0 107.833 169.279 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 29' ' ' ARG . . . . . 0.437 ' HD3' ' OE1' ' A' ' 32' ' ' GLU . 25.7 mmt180 -64.03 -47.19 81.22 Favored 'General case' 0 C--N 1.331 -0.213 0 CA-C-N 116.035 -0.53 . . . . 0.0 111.596 178.791 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 30' ' ' PHE . . . . . 0.442 ' CE2' HD21 ' A' ' 63' ' ' LEU . 6.3 t80 -61.69 -56.21 22.18 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-O 121.133 0.492 . . . . 0.0 110.848 177.695 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 31' ' ' ALA . . . . . 0.405 ' HB1' ' HB2' ' A' ' 36' ' ' MET . . . -68.33 -17.45 64.26 Favored 'General case' 0 C--N 1.324 -0.529 0 CA-C-N 115.847 -0.615 . . . . 0.0 111.208 -174.053 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 32' ' ' GLU . . . . . 0.62 ' HG3' ' O ' ' A' ' 28' ' ' LEU . 18.9 mt-10 -55.86 -31.97 63.24 Favored 'General case' 0 N--CA 1.47 0.536 0 CA-C-O 120.95 0.405 . . . . 0.0 110.737 171.971 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 33' ' ' GLN . . . . . . . . . . . . . 70.7 mt-30 -84.19 -33.2 24.22 Favored 'General case' 0 C--N 1.325 -0.478 0 CA-C-O 121.011 0.434 . . . . 0.0 110.671 -179.315 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -85.22 -26.12 26.91 Favored 'General case' 0 C--N 1.323 -0.557 0 CA-C-N 115.932 -0.577 . . . . 0.0 111.829 -175.046 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 100.1 33.3 5.25 Favored Glycine 0 N--CA 1.45 -0.418 0 C-N-CA 121.138 -0.553 . . . . 0.0 112.08 -179.299 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 36' ' ' MET . . . . . 0.405 ' HB2' ' HB1' ' A' ' 31' ' ' ALA . 1.1 mpp? -135.5 176.65 8.49 Favored 'General case' 0 C--N 1.323 -0.55 0 CA-C-O 120.896 0.379 . . . . 0.0 110.832 -175.573 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 37' ' ' GLN . . . . . . . . . . . . . 36.0 tt0 -150.41 159.98 44.08 Favored 'General case' 0 C--N 1.323 -0.56 0 N-CA-C 108.985 -0.746 . . . . 0.0 108.985 177.461 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 38' ' ' VAL . . . . . 0.585 ' CG2' ' HB2' ' A' ' 27' ' ' MET . 60.1 t -77.44 133.13 31.31 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-O 120.666 0.27 . . . . 0.0 110.504 -178.241 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 39' ' ' PHE . . . . . . . . . . . . . 85.0 t80 -119.59 125.49 48.91 Favored 'General case' 0 C--N 1.326 -0.428 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.861 -179.885 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 40' ' ' PHE . . . . . . . . . . . . . 8.0 m-85 -90.31 101.06 13.78 Favored 'General case' 0 C--N 1.321 -0.638 0 CA-C-N 115.782 -0.644 . . . . 0.0 110.511 177.712 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 26.7 t70 -82.94 -67.79 0.76 Allowed 'General case' 0 C--N 1.326 -0.415 0 N-CA-C 109.634 -0.506 . . . . 0.0 109.634 177.381 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 42.0 mt-10 -136.79 87.79 2.32 Favored 'General case' 0 C--N 1.321 -0.642 0 CA-C-N 115.944 -0.571 . . . . 0.0 109.762 172.594 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 43' ' ' VAL . . . . . . . . . . . . . 5.1 p -165.04 119.83 0.12 Allowed 'Isoleucine or valine' 0 C--N 1.319 -0.728 0 CA-C-O 121.351 0.596 . . . . 0.0 110.834 179.433 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 26.9 ttpp -126.52 90.67 3.21 Favored 'General case' 0 C--N 1.321 -0.652 0 CA-C-N 115.627 -0.715 . . . . 0.0 109.584 177.521 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 89.1 mt -129.52 99.14 5.07 Favored 'General case' 0 C--N 1.32 -0.701 0 CA-C-N 115.95 -0.568 . . . . 0.0 109.952 -179.718 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 6.9 p-10 -73.63 131.15 41.37 Favored 'General case' 0 C--N 1.322 -0.587 0 N-CA-C 109.638 -0.504 . . . . 0.0 109.638 177.355 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 87.37 21.96 46.26 Favored Glycine 0 N--CA 1.445 -0.727 0 C-N-CA 120.5 -0.857 . . . . 0.0 112.189 -178.498 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 48' ' ' MET . . . . . . . . . . . . . 13.3 ptp -70.08 133.85 47.6 Favored 'General case' 0 C--O 1.234 0.252 0 CA-C-O 120.921 0.391 . . . . 0.0 110.407 177.891 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 79.1 mt-30 -132.04 165.57 23.69 Favored 'General case' 0 C--N 1.322 -0.587 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.88 -176.249 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -107.46 167.36 9.99 Favored 'General case' 0 C--N 1.321 -0.631 0 CA-C-N 115.77 -0.65 . . . . 0.0 110.111 177.871 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -86.93 167.81 13.95 Favored 'General case' 0 C--N 1.323 -0.544 0 CA-C-N 116.318 -0.401 . . . . 0.0 110.721 179.578 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -74.66 89.24 2.23 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-O 121.274 0.559 . . . . 0.0 110.769 -179.571 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 53' ' ' LEU . . . . . 0.439 ' HG ' ' HG ' ' A' ' 66' ' ' LEU . 2.8 tm? -80.3 123.24 27.81 Favored 'General case' 0 C--N 1.32 -0.689 0 CA-C-N 115.423 -0.808 . . . . 0.0 110.177 -178.065 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 54' ' ' ASN . . . . . . . . . . . . . 44.7 t30 -154.32 99.47 2.21 Favored 'General case' 0 C--N 1.322 -0.587 0 N-CA-C 109.91 -0.404 . . . . 0.0 109.91 174.442 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . 177.45 162.32 27.45 Favored Glycine 0 N--CA 1.447 -0.63 0 C-N-CA 120.342 -0.932 . . . . 0.0 112.818 178.548 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 12.6 p -94.07 113.28 25.22 Favored 'General case' 0 C--N 1.321 -0.636 0 N-CA-C 109.344 -0.613 . . . . 0.0 109.344 173.373 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 57' ' ' MET . . . . . 0.603 ' SD ' ' HA2' ' A' ' 62' ' ' GLY . 19.3 ptp -157.85 -178.96 7.7 Favored 'General case' 0 C--N 1.324 -0.537 0 CA-C-N 116.498 -0.319 . . . . 0.0 110.79 -172.994 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 14.7 m -96.09 170.43 9.28 Favored 'General case' 0 C--N 1.325 -0.477 0 CA-C-N 116.368 -0.378 . . . . 0.0 110.067 179.322 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 59' ' ' VAL . . . . . . . . . . . . . 70.9 t -54.17 -49.6 61.2 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.295 0 CA-C-O 120.796 0.332 . . . . 0.0 110.971 -179.575 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 60' ' ' GLU . . . . . 0.48 ' O ' ' HG3' ' A' ' 64' ' ' ARG . 46.8 mt-10 -53.74 -56.86 13.65 Favored 'General case' 0 C--N 1.324 -0.536 0 CA-C-N 115.595 -0.729 . . . . 0.0 111.454 -179.515 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 61' ' ' GLN . . . . . . . . . . . . . 76.4 mt-30 -63.94 -37.1 86.18 Favored 'General case' 0 C--N 1.326 -0.428 0 CA-C-N 115.992 -0.549 . . . . 0.0 111.102 -179.1 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 62' ' ' GLY . . . . . 0.603 ' HA2' ' SD ' ' A' ' 57' ' ' MET . . . -62.47 -53.42 41.9 Favored Glycine 0 N--CA 1.447 -0.631 0 CA-C-N 115.792 -0.64 . . . . 0.0 112.454 -178.931 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 63' ' ' LEU . . . . . 0.442 HD21 ' CE2' ' A' ' 30' ' ' PHE . 4.1 mm? -59.33 -38.98 81.71 Favored 'General case' 0 C--N 1.325 -0.479 0 N-CA-C 111.809 0.3 . . . . 0.0 111.809 -177.967 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 64' ' ' ARG . . . . . 0.48 ' HG3' ' O ' ' A' ' 60' ' ' GLU . 75.0 mtp180 -56.14 -44.98 79.73 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 116.006 -0.543 . . . . 0.0 111.511 178.785 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 65' ' ' ARG . . . . . . . . . . . . . 67.8 ttt180 -80.18 -29.62 38.7 Favored 'General case' 0 C--N 1.322 -0.613 0 CA-C-O 121.104 0.478 . . . . 0.0 110.614 177.841 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 66' ' ' LEU . . . . . 0.641 ' HB3' ' HE3' ' A' ' 27' ' ' MET . 3.5 mt -70.78 -48.85 52.12 Favored 'General case' 0 C--N 1.322 -0.596 0 CA-C-N 115.617 -0.72 . . . . 0.0 112.803 -174.871 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 67' ' ' ILE . . . . . . . . . . . . . 60.9 mt -88.54 -65.25 0.98 Allowed 'Isoleucine or valine' 0 C--N 1.331 -0.226 0 N-CA-C 113.359 0.874 . . . . 0.0 113.359 -170.255 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . -114.36 -62.17 0.4 Allowed Glycine 0 N--CA 1.448 -0.534 0 C-N-CA 119.046 -1.549 . . . . 0.0 115.475 -165.838 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . 85.63 -21.11 15.3 Favored Glycine 0 N--CA 1.449 -0.462 0 N-CA-C 109.846 -1.301 . . . . 0.0 109.846 -164.339 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 70' ' ' ASN . . . . . . . . . . . . . 9.0 p30 -101.71 154.13 37.49 Favored Pre-proline 0 C--N 1.329 -0.325 0 CA-C-N 114.748 -0.726 . . . . 0.0 109.299 174.542 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 71' ' ' PRO . . . . . . . . . . . . . 29.5 Cg_endo -63.73 98.59 0.24 Allowed 'Trans proline' 0 C--N 1.347 0.487 0 C-N-CA 122.461 2.107 . . . . 0.0 113.051 -177.232 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 72' ' ' VAL . . . . . . . . . . . . . 14.2 p -144.1 145.22 22.01 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.57 0 N-CA-C 107.779 -1.193 . . . . 0.0 107.779 173.606 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -97.45 139.69 33.01 Favored 'General case' 0 C--N 1.321 -0.672 0 CA-C-O 121.001 0.429 . . . . 0.0 112.107 -167.231 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 74' ' ' PHE . . . . . . . . . . . . . 5.5 p90 -123.4 131.42 53.64 Favored 'General case' 0 C--N 1.323 -0.568 0 CA-C-N 115.874 -0.603 . . . . 0.0 109.751 174.907 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 75' ' ' ARG . . . . . . . . . . . . . 76.7 mtp180 -110.48 114.91 28.7 Favored 'General case' 0 C--N 1.32 -0.676 0 CA-C-O 120.991 0.424 . . . . 0.0 110.63 -179.626 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 76' ' ' LEU . . . . . . . . . . . . . 46.3 mt -86.32 99.26 11.46 Favored 'General case' 0 C--N 1.322 -0.618 0 CA-C-N 115.588 -0.733 . . . . 0.0 109.685 179.388 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 77' ' ' GLN . . . . . . . . . . . . . 88.2 mt-30 -104.88 132.4 20.92 Favored Pre-proline 0 C--N 1.323 -0.586 0 CA-C-O 120.868 0.366 . . . . 0.0 111.21 -175.886 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 78' ' ' PRO . . . . . . . . . . . . . 37.7 Cg_endo -65.74 -5.23 11.36 Favored 'Trans proline' 0 C--N 1.347 0.487 0 C-N-CA 123.446 2.764 . . . . 0.0 112.394 -178.455 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 79' ' ' GLN . . . . . . . . . . . . . 78.8 mt-30 -67.05 -12.39 59.78 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 115.909 -0.587 . . . . 0.0 110.251 174.299 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . 99.13 34.52 5.09 Favored Glycine 0 N--CA 1.445 -0.726 0 CA-C-N 115.771 -0.65 . . . . 0.0 112.343 177.224 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 81' ' ' GLN . . . . . . . . . . . . . 30.0 pt20 -147.84 146.69 29.2 Favored 'General case' 0 C--N 1.325 -0.488 0 CA-C-O 121.126 0.489 . . . . 0.0 111.431 -177.338 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 82' ' ' ILE . . . . . . . . . . . . . 51.3 mt -105.56 99.8 9.24 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.594 0 N-CA-C 108.575 -0.898 . . . . 0.0 108.575 173.172 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 83' ' ' VAL . . . . . . . . . . . . . 57.2 t -88.46 118.6 34.28 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.646 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.595 -176.352 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 84' ' ' LEU . . . . . . . . . . . . . 19.3 tp -79.07 137.89 37.73 Favored 'General case' 0 C--N 1.323 -0.547 0 N-CA-C 109.111 -0.7 . . . . 0.0 109.111 175.547 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 85' ' ' SER . . . . . . . . . . . . . 50.0 m -142.47 167.23 22.58 Favored 'General case' 0 C--N 1.318 -0.797 0 CA-C-O 120.741 0.305 . . . . 0.0 110.253 -176.904 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 86' ' ' ARG . . . . . . . . . . . . . 38.1 ptt180 -106.49 164.67 11.86 Favored 'General case' 0 N--CA 1.445 -0.701 0 CA-C-N 116.429 -0.35 . . . . 0.0 110.357 179.643 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 87' ' ' LEU . . . . . 0.425 ' N ' HD23 ' A' ' 87' ' ' LEU . 1.5 pt? . . . . . 0 C--N 1.319 -0.731 0 CA-C-N 115.945 -0.57 . . . . 0.0 109.894 -179.883 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 16.7 pt20 . . . . . 0 N--CA 1.455 -0.204 0 CA-C-O 120.86 0.362 . . . . 0.0 111.004 . . . . . . . . . 0 0 . 1 . 015 nuclear build core ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 14.2 pt20 -147.66 124.35 11.15 Favored 'General case' 0 C--N 1.324 -0.514 0 CA-C-N 115.895 -0.593 . . . . 0.0 109.565 174.95 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 14' ' ' LYS . . . . . 0.541 ' HB2' ' CZ ' ' A' ' 16' ' ' PHE . 48.0 mmtm -132.42 163.29 29.08 Favored 'General case' 0 C--N 1.322 -0.604 0 CA-C-N 116.376 -0.375 . . . . 0.0 110.056 -177.387 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 15' ' ' ASN . . . . . . . . . . . . . 53.2 t30 -96.24 108.72 21.24 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-O 121.096 0.474 . . . . 0.0 110.052 178.276 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 16' ' ' PHE . . . . . 0.541 ' CZ ' ' HB2' ' A' ' 14' ' ' LYS . 82.4 m-85 -107.18 149.4 27.74 Favored 'General case' 0 C--N 1.32 -0.713 0 CA-C-N 116.061 -0.518 . . . . 0.0 110.898 -176.58 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 9.0 t30 -142.1 101.05 3.85 Favored 'General case' 0 C--N 1.324 -0.54 0 CA-C-N 115.908 -0.587 . . . . 0.0 109.439 175.774 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 18' ' ' ILE . . . . . 0.492 ' HB ' ' HB3' ' A' ' 53' ' ' LEU . 16.7 mm -120.31 113.81 41.68 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.54 0 CA-C-N 115.824 -0.626 . . . . 0.0 110.591 -174.689 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -72.46 161.48 30.76 Favored 'General case' 0 C--O 1.237 0.411 0 N-CA-C 109.351 -0.611 . . . . 0.0 109.351 172.336 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 20' ' ' ALA . . . . . 0.411 ' HA ' ' HB3' ' A' ' 50' ' ' ALA . . . -67.37 102.48 1.11 Allowed 'General case' 0 C--N 1.331 -0.217 0 CA-C-O 121.331 0.586 . . . . 0.0 110.962 -175.616 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 21' ' ' GLN . . . . . 0.448 ' HB3' ' HD2' ' A' ' 22' ' ' PRO . 40.1 mt-30 -108.85 178.23 1.09 Allowed Pre-proline 0 C--N 1.318 -0.764 0 CA-C-N 115.103 -0.953 . . . . 0.0 110.196 175.002 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 22' ' ' PRO . . . . . 0.448 ' HD2' ' HB3' ' A' ' 21' ' ' GLN . 32.2 Cg_exo -60.84 137.1 70.43 Favored 'Trans proline' 0 C--N 1.346 0.425 0 C-N-CA 121.504 1.469 . . . . 0.0 109.453 163.986 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 24.2 tp -51.7 -39.08 57.67 Favored 'General case' 0 C--N 1.328 -0.334 0 N-CA-C 112.331 0.493 . . . . 0.0 112.331 -166.427 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 91.6 mt-30 -64.22 -52.96 56.25 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.821 0.344 . . . . 0.0 110.85 179.013 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 16.1 m -64.47 -30.78 71.81 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-O 121.17 0.51 . . . . 0.0 110.418 179.316 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -58.22 -57.4 13.04 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 115.663 -0.699 . . . . 0.0 111.104 177.352 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 27' ' ' MET . . . . . 0.488 ' HA ' ' HB3' ' A' ' 30' ' ' PHE . 48.6 mtt -74.67 -18.99 60.44 Favored 'General case' 0 C--N 1.325 -0.457 0 CA-C-N 115.81 -0.632 . . . . 0.0 110.607 -177.681 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 28' ' ' LEU . . . . . 0.42 ' O ' ' HB3' ' A' ' 32' ' ' GLU . 8.3 tt -63.58 -38.85 92.68 Favored 'General case' 0 C--N 1.322 -0.626 0 N-CA-C 108.632 -0.877 . . . . 0.0 108.632 172.187 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 29' ' ' ARG . . . . . 0.588 ' O ' ' HG2' ' A' ' 32' ' ' GLU . 35.7 mmt180 -81.61 -40.71 22.58 Favored 'General case' 0 C--N 1.332 -0.193 0 CA-C-N 115.689 -0.687 . . . . 0.0 111.468 179.73 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 30' ' ' PHE . . . . . 0.488 ' HB3' ' HA ' ' A' ' 27' ' ' MET . 37.6 t80 -62.99 -54.14 42.93 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-O 121.262 0.553 . . . . 0.0 110.502 177.13 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 31' ' ' ALA . . . . . 0.406 ' HA ' ' HB3' ' A' ' 34' ' ' ALA . . . -70.97 -23.29 62.18 Favored 'General case' 0 N--CA 1.444 -0.769 0 CA-C-N 115.704 -0.68 . . . . 0.0 111.467 -173.865 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 32' ' ' GLU . . . . . 0.588 ' HG2' ' O ' ' A' ' 29' ' ' ARG . 8.6 pt-20 -67.53 -23.05 65.4 Favored 'General case' 0 N--CA 1.466 0.336 0 C-N-CA 119.792 -0.763 . . . . 0.0 110.437 179.422 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 33' ' ' GLN . . . . . . . . . . . . . 54.4 mt-30 -89.19 -30.18 18.74 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 121.144 0.497 . . . . 0.0 109.931 174.392 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 34' ' ' ALA . . . . . 0.406 ' HB3' ' HA ' ' A' ' 31' ' ' ALA . . . -79.77 -26.32 40.68 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 115.706 -0.679 . . . . 0.0 112.032 -177.134 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 105.86 37.82 2.48 Favored Glycine 0 N--CA 1.453 -0.222 0 C-N-CA 121.061 -0.59 . . . . 0.0 112.197 -179.448 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 36' ' ' MET . . . . . . . . . . . . . 56.9 mtm -154.24 176.18 12.59 Favored 'General case' 0 C--N 1.328 -0.352 0 C-N-CA 123.072 0.549 . . . . 0.0 110.234 -177.593 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 37' ' ' GLN . . . . . 0.406 ' O ' ' HA ' ' A' ' 81' ' ' GLN . 52.0 tt0 -141.35 143.33 33.95 Favored 'General case' 0 C--N 1.322 -0.605 0 N-CA-C 109.033 -0.729 . . . . 0.0 109.033 169.704 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 8.3 p -77.7 137.56 22.03 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 N-CA-C 110.049 -0.352 . . . . 0.0 110.049 -179.399 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 39' ' ' PHE . . . . . . . . . . . . . 90.6 t80 -131.64 137.17 48.24 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-O 121.175 0.512 . . . . 0.0 111.841 -171.797 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 40' ' ' PHE . . . . . . . . . . . . . 71.3 m-85 -134.74 162.14 33.19 Favored 'General case' 0 C--N 1.323 -0.57 0 N-CA-C 108.212 -1.033 . . . . 0.0 108.212 172.883 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 41' ' ' ASP . . . . . 0.448 ' CG ' ' H ' ' A' ' 42' ' ' GLU . 3.3 p-10 -81.81 -87.39 0.09 Allowed 'General case' 0 C--N 1.324 -0.511 0 C-N-CA 120.261 -0.576 . . . . 0.0 110.385 176.975 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 42' ' ' GLU . . . . . 0.448 ' H ' ' CG ' ' A' ' 41' ' ' ASP . 45.7 mt-10 -131.03 87.86 2.53 Favored 'General case' 0 C--N 1.317 -0.818 0 N-CA-C 108.627 -0.879 . . . . 0.0 108.627 172.688 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 43' ' ' VAL . . . . . . . . . . . . . 62.1 t -121.0 109.39 25.08 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.669 0 CA-C-N 115.79 -0.641 . . . . 0.0 111.046 -177.039 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 39.8 ttmt -102.93 89.68 3.53 Favored 'General case' 0 C--N 1.323 -0.553 0 CA-C-N 115.797 -0.638 . . . . 0.0 109.383 176.006 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 92.9 mt -142.92 137.01 29.15 Favored 'General case' 0 C--N 1.324 -0.54 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.46 -179.298 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 4.6 p-10 -130.78 155.73 46.18 Favored 'General case' 0 C--N 1.32 -0.676 0 CA-C-N 116.166 -0.47 . . . . 0.0 109.752 175.501 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 123.15 -14.1 8.37 Favored Glycine 0 N--CA 1.444 -0.802 0 C-N-CA 120.384 -0.913 . . . . 0.0 112.594 179.465 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 48' ' ' MET . . . . . . . . . . . . . 5.1 mpp? -63.77 139.92 58.82 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 120.988 0.423 . . . . 0.0 110.567 178.332 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 86.3 mt-30 -106.06 120.95 43.1 Favored 'General case' 0 C--N 1.32 -0.692 0 CA-C-N 116.079 -0.51 . . . . 0.0 110.476 -177.204 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 50' ' ' ALA . . . . . 0.411 ' HB3' ' HA ' ' A' ' 20' ' ' ALA . . . -83.54 101.13 11.23 Favored 'General case' 0 C--N 1.324 -0.52 0 N-CA-C 109.491 -0.559 . . . . 0.0 109.491 175.478 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -60.99 155.79 19.22 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 115.68 -0.691 . . . . 0.0 111.096 -177.744 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -55.49 109.34 0.54 Allowed 'General case' 0 C--N 1.331 -0.209 0 CA-C-N 115.75 -0.659 . . . . 0.0 110.914 -178.274 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 53' ' ' LEU . . . . . 0.492 ' HB3' ' HB ' ' A' ' 18' ' ' ILE . 1.1 tm? -108.74 102.0 11.08 Favored 'General case' 0 C--N 1.32 -0.676 0 CA-C-N 115.611 -0.722 . . . . 0.0 109.259 -177.967 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 54' ' ' ASN . . . . . 0.541 ' HA ' ' O ' ' A' ' 16' ' ' PHE . 50.3 t-20 -151.8 99.33 2.57 Favored 'General case' 0 C--N 1.324 -0.53 0 N-CA-C 109.831 -0.433 . . . . 0.0 109.831 178.314 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . 178.16 165.68 33.33 Favored Glycine 0 N--CA 1.448 -0.564 0 C-N-CA 120.547 -0.835 . . . . 0.0 112.56 -179.889 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 56' ' ' SER . . . . . 0.537 ' HA ' ' O ' ' A' ' 14' ' ' LYS . 51.0 m -99.26 105.11 17.1 Favored 'General case' 0 C--N 1.326 -0.44 0 N-CA-C 109.459 -0.571 . . . . 0.0 109.459 175.203 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 57' ' ' MET . . . . . . . . . . . . . 14.6 ptt? -157.24 -178.37 7.3 Favored 'General case' 0 C--N 1.324 -0.519 0 CA-C-N 116.053 -0.521 . . . . 0.0 111.188 -173.986 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 25.4 m -92.81 174.46 7.24 Favored 'General case' 0 C--N 1.325 -0.46 0 CA-C-N 116.031 -0.531 . . . . 0.0 111.447 -176.317 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 59' ' ' VAL . . . . . . . . . . . . . 31.0 t -58.86 -48.86 84.99 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.536 -0.302 . . . . 0.0 111.065 -178.73 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 25.6 mp0 -52.17 -51.85 55.54 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-N 116.066 -0.515 . . . . 0.0 110.528 179.132 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 61' ' ' GLN . . . . . . . . . . . . . 46.7 mt-30 -64.72 -46.65 81.4 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 115.742 -0.663 . . . . 0.0 111.13 -179.101 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . -58.86 -44.82 95.75 Favored Glycine 0 N--CA 1.449 -0.497 0 CA-C-N 115.87 -0.604 . . . . 0.0 112.459 -178.947 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 63' ' ' LEU . . . . . 0.527 ' O ' HG13 ' A' ' 67' ' ' ILE . 4.0 mm? -69.56 -41.95 75.19 Favored 'General case' 0 C--N 1.323 -0.548 0 C-N-CA 121.375 -0.13 . . . . 0.0 110.99 179.118 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 64' ' ' ARG . . . . . . . . . . . . . 72.3 mtp180 -53.79 -32.65 53.3 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-O 120.707 0.289 . . . . 0.0 111.108 176.605 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 65' ' ' ARG . . . . . . . . . . . . . 20.5 ttm180 -81.39 -46.07 15.18 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.484 -0.325 . . . . 0.0 110.9 176.511 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 7.3 mt -59.91 -41.28 91.33 Favored 'General case' 0 N--CA 1.472 0.64 0 CA-C-O 121.332 0.587 . . . . 0.0 111.908 -179.736 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 67' ' ' ILE . . . . . 0.527 HG13 ' O ' ' A' ' 63' ' ' LEU . 8.7 mt -90.25 18.46 0.75 Allowed 'Isoleucine or valine' 0 C--N 1.319 -0.735 0 CA-C-N 115.422 -0.808 . . . . 0.0 110.24 -179.467 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . -33.26 26.31 0.0 OUTLIER Glycine 0 N--CA 1.485 1.96 0 C-N-CA 128.236 2.827 . . . . 0.0 120.145 177.866 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 69' ' ' GLY . . . . . 0.419 ' N ' ' O ' ' A' ' 67' ' ' ILE . . . 116.04 30.03 2.22 Favored Glycine 0 C--N 1.314 -0.654 0 CA-C-N 119.188 1.494 . . . . 0.0 112.318 -173.313 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 70' ' ' ASN . . . . . . . . . . . . . 43.2 m-80 -102.16 118.23 59.55 Favored Pre-proline 0 C--N 1.322 -0.595 0 N-CA-C 107.014 -1.476 . . . . 0.0 107.014 159.328 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 71' ' ' PRO . . . . . . . . . . . . . 19.6 Cg_exo -67.12 94.18 0.35 Allowed 'Trans proline' 0 C--O 1.235 0.361 0 C-N-CA 121.358 1.372 . . . . 0.0 112.182 -175.741 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 72' ' ' VAL . . . . . . . . . . . . . 14.1 p -156.72 146.61 11.47 Favored 'Isoleucine or valine' 0 N--CA 1.449 -0.522 0 CA-C-N 115.709 -0.678 . . . . 0.0 110.145 176.501 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -100.63 132.85 45.81 Favored 'General case' 0 C--N 1.324 -0.541 0 N-CA-C 110.044 -0.354 . . . . 0.0 110.044 177.463 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 74' ' ' PHE . . . . . 0.4 ' CD2' ' HG ' ' A' ' 63' ' ' LEU . 3.3 p90 -115.18 128.62 56.3 Favored 'General case' 0 C--N 1.332 -0.165 0 CA-C-O 121.336 0.589 . . . . 0.0 111.164 -176.767 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 75' ' ' ARG . . . . . 0.527 ' HG2' ' O ' ' A' ' 83' ' ' VAL . 14.7 ptm180 -118.03 127.81 54.17 Favored 'General case' 0 C--N 1.318 -0.771 0 N-CA-C 109.525 -0.546 . . . . 0.0 109.525 177.59 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 76' ' ' LEU . . . . . 0.418 HD23 HG23 ' A' ' 82' ' ' ILE . 76.4 mt -91.33 99.59 12.54 Favored 'General case' 0 C--N 1.319 -0.739 0 CA-C-O 121.221 0.534 . . . . 0.0 110.056 -177.558 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 77' ' ' GLN . . . . . 0.507 ' HA ' ' HD3' ' A' ' 78' ' ' PRO . 0.0 OUTLIER -88.79 131.62 40.97 Favored Pre-proline 0 N--CA 1.441 -0.903 0 CA-C-N 115.536 -0.756 . . . . 0.0 110.012 -176.039 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 78' ' ' PRO . . . . . 0.507 ' HD3' ' HA ' ' A' ' 77' ' ' GLN . 29.9 Cg_exo -63.28 3.18 0.64 Allowed 'Trans proline' 0 N--CA 1.48 0.707 0 C-N-CA 123.681 2.921 . . . . 0.0 114.526 -173.988 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 79' ' ' GLN . . . . . . . . . . . . . 77.5 mt-30 -93.36 23.2 4.64 Favored 'General case' 0 C--N 1.324 -0.534 0 CA-C-O 121.089 0.471 . . . . 0.0 110.452 177.388 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . 71.07 28.99 69.43 Favored Glycine 0 N--CA 1.447 -0.577 0 CA-C-N 115.728 -0.669 . . . . 0.0 112.759 178.474 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 81' ' ' GLN . . . . . 0.406 ' HA ' ' O ' ' A' ' 37' ' ' GLN . 97.2 mt-30 -131.57 132.84 44.43 Favored 'General case' 0 C--N 1.324 -0.513 0 CA-C-O 120.947 0.403 . . . . 0.0 111.28 -177.675 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 82' ' ' ILE . . . . . 0.418 HG23 HD23 ' A' ' 76' ' ' LEU . 48.2 mt -98.95 100.8 11.16 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.55 0 N-CA-C 108.835 -0.802 . . . . 0.0 108.835 175.08 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 83' ' ' VAL . . . . . 0.527 ' O ' ' HG2' ' A' ' 75' ' ' ARG . 39.6 t -91.39 120.55 40.6 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.669 0 CA-C-N 116.438 -0.346 . . . . 0.0 110.256 -176.777 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 84' ' ' LEU . . . . . . . . . . . . . 6.3 mp -112.65 148.11 35.33 Favored 'General case' 0 C--N 1.322 -0.63 0 CA-C-O 120.857 0.361 . . . . 0.0 110.649 177.619 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 85' ' ' SER . . . . . . . . . . . . . 5.6 p -148.81 135.18 19.43 Favored 'General case' 0 C--N 1.32 -0.708 0 CA-C-N 115.76 -0.655 . . . . 0.0 110.325 179.921 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 86' ' ' ARG . . . . . . . . . . . . . 33.6 ttm180 -81.77 81.06 7.92 Favored 'General case' 0 C--N 1.324 -0.543 0 N-CA-C 108.885 -0.783 . . . . 0.0 108.885 176.239 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 87' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.322 -0.623 0 CA-C-N 114.352 -1.294 . . . . 0.0 110.653 -179.434 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 11.1 pt20 . . . . . 0 N--CA 1.456 -0.151 0 CA-C-O 120.792 0.33 . . . . 0.0 110.257 . . . . . . . . . 0 0 . 1 . 016 nuclear build core ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 11.2 pt20 -109.85 135.42 50.76 Favored 'General case' 0 C--N 1.321 -0.651 0 CA-C-N 116.437 -0.347 . . . . 0.0 110.211 177.638 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 14' ' ' LYS . . . . . 0.416 ' HB2' ' CE2' ' A' ' 16' ' ' PHE . 40.7 mmtm -135.29 144.47 46.79 Favored 'General case' 0 C--N 1.323 -0.581 0 CA-C-N 116.113 -0.494 . . . . 0.0 109.737 176.601 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 15' ' ' ASN . . . . . 0.524 ' HA ' ' HA ' ' A' ' 56' ' ' SER . 6.6 t30 -84.17 99.49 10.55 Favored 'General case' 0 C--N 1.323 -0.557 0 N-CA-C 109.665 -0.495 . . . . 0.0 109.665 178.766 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 16' ' ' PHE . . . . . 0.416 ' CE2' ' HB2' ' A' ' 14' ' ' LYS . 59.5 m-85 -99.3 143.49 29.5 Favored 'General case' 0 C--N 1.319 -0.718 0 CA-C-N 115.916 -0.583 . . . . 0.0 110.525 -177.44 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 5.1 p-10 -144.17 95.46 2.72 Favored 'General case' 0 C--N 1.318 -0.793 0 CA-C-O 121.684 0.754 . . . . 0.0 109.647 179.527 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 18' ' ' ILE . . . . . 0.456 HG12 HD12 ' A' ' 53' ' ' LEU . 21.0 mm -116.07 119.92 63.31 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.657 0 CA-C-N 115.576 -0.738 . . . . 0.0 109.953 -175.654 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -74.18 154.67 38.97 Favored 'General case' 0 C--N 1.323 -0.551 0 N-CA-C 109.292 -0.632 . . . . 0.0 109.292 173.65 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -66.88 103.15 1.07 Allowed 'General case' 0 C--N 1.328 -0.356 0 CA-C-O 121.33 0.586 . . . . 0.0 110.815 -176.278 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 21' ' ' GLN . . . . . 0.507 HE22 ' HG3' ' A' ' 29' ' ' ARG . 74.6 mt-30 -106.12 172.38 3.99 Favored Pre-proline 0 C--N 1.324 -0.538 0 CA-C-N 114.99 -1.004 . . . . 0.0 110.242 173.714 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 22' ' ' PRO . . . . . 0.402 ' HA ' ' O ' ' A' ' 48' ' ' MET . 52.5 Cg_exo -57.24 140.98 94.45 Favored 'Trans proline' 0 N--CA 1.462 -0.334 0 C-N-CA 121.788 1.659 . . . . 0.0 109.816 163.083 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 23' ' ' LEU . . . . . 0.422 ' CB ' ' HB3' ' A' ' 48' ' ' MET . 32.3 tp -51.71 -45.5 63.59 Favored 'General case' 0 N--CA 1.468 0.473 0 N-CA-C 113.459 0.911 . . . . 0.0 113.459 -167.138 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 78.5 mt-30 -68.82 -44.46 73.46 Favored 'General case' 0 C--N 1.326 -0.419 0 C-N-CA 120.867 -0.333 . . . . 0.0 111.044 -177.274 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 31.8 t -65.48 -35.77 81.89 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-O 121.132 0.491 . . . . 0.0 109.951 177.594 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -55.3 -57.6 11.17 Favored 'General case' 0 CA--C 1.516 -0.331 0 CA-C-N 115.356 -0.838 . . . . 0.0 111.345 178.829 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 27' ' ' MET . . . . . 0.474 ' HE3' ' HB3' ' A' ' 66' ' ' LEU . 16.7 mmt -76.94 -14.33 59.87 Favored 'General case' 0 C--N 1.321 -0.656 0 CA-C-N 115.469 -0.787 . . . . 0.0 111.014 -174.349 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 59.7 tp -65.69 -32.69 74.38 Favored 'General case' 0 C--N 1.322 -0.626 0 N-CA-C 109.106 -0.702 . . . . 0.0 109.106 170.889 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 29' ' ' ARG . . . . . 0.507 ' HG3' HE22 ' A' ' 21' ' ' GLN . 31.1 mmt180 -86.52 -41.83 14.03 Favored 'General case' 0 C--N 1.323 -0.571 0 CA-C-N 116.262 -0.427 . . . . 0.0 110.718 179.883 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 36.3 t80 -71.46 -56.46 5.9 Favored 'General case' 0 C--N 1.325 -0.479 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.576 179.735 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -71.36 -30.73 66.5 Favored 'General case' 0 C--N 1.323 -0.555 0 CA-C-N 116.13 -0.486 . . . . 0.0 112.281 -169.679 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 40.9 mm-40 -62.72 -26.92 68.92 Favored 'General case' 0 N--CA 1.464 0.261 0 C-N-CA 120.393 -0.523 . . . . 0.0 110.897 177.609 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 33' ' ' GLN . . . . . 0.418 ' OE1' ' HA ' ' A' ' 33' ' ' GLN . 16.3 mm-40 -85.59 -16.44 39.32 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-O 120.997 0.427 . . . . 0.0 110.497 177.369 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -95.71 -16.87 21.69 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-N 116.079 -0.51 . . . . 0.0 111.198 178.944 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 99.03 20.7 17.61 Favored Glycine 0 CA--C 1.52 0.384 0 C-N-CA 121.081 -0.58 . . . . 0.0 112.867 178.996 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 36' ' ' MET . . . . . 0.458 ' HG2' ' HA2' ' A' ' 80' ' ' GLY . 68.0 mtm -138.97 176.57 8.58 Favored 'General case' 0 C--N 1.325 -0.465 0 N-CA-C 110.308 -0.256 . . . . 0.0 110.308 -177.276 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 37' ' ' GLN . . . . . . . . . . . . . 32.7 tt0 -154.68 145.75 22.72 Favored 'General case' 0 C--N 1.328 -0.353 0 N-CA-C 109.976 -0.379 . . . . 0.0 109.976 173.594 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 38' ' ' VAL . . . . . 0.405 ' CG2' ' HB2' ' A' ' 27' ' ' MET . 5.9 m -79.75 138.93 19.05 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-O 121.006 0.432 . . . . 0.0 111.592 -179.231 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 39' ' ' PHE . . . . . . . . . . . . . 91.5 t80 -121.37 136.19 54.99 Favored 'General case' 0 C--N 1.324 -0.521 0 CA-C-N 115.814 -0.63 . . . . 0.0 110.787 -179.72 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 40' ' ' PHE . . . . . . . . . . . . . 70.3 m-85 -131.08 154.55 48.15 Favored 'General case' 0 C--N 1.321 -0.635 0 CA-C-N 115.57 -0.741 . . . . 0.0 109.07 176.347 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 17.1 m-20 -78.92 -174.37 3.98 Favored 'General case' 0 C--N 1.325 -0.464 0 CA-C-N 116.659 -0.246 . . . . 0.0 110.542 177.807 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 39.5 mt-10 -76.3 89.42 3.15 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-O 121.05 0.452 . . . . 0.0 110.216 179.184 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 43' ' ' VAL . . . . . . . . . . . . . 7.2 p -159.14 134.84 1.75 Allowed 'Isoleucine or valine' 0 C--N 1.32 -0.701 0 CA-C-N 115.712 -0.676 . . . . 0.0 109.898 178.72 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 40.7 ttmt -98.84 123.17 42.92 Favored 'General case' 0 C--N 1.319 -0.752 0 CA-C-N 116.286 -0.416 . . . . 0.0 110.082 178.079 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 1.3 pt? -133.81 112.92 11.73 Favored 'General case' 0 C--N 1.32 -0.694 0 CA-C-N 116.024 -0.535 . . . . 0.0 110.106 178.609 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 6.2 p-10 -83.55 151.31 25.44 Favored 'General case' 0 C--N 1.323 -0.552 0 CA-C-N 115.942 -0.572 . . . . 0.0 110.228 178.853 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 102.75 6.64 46.21 Favored Glycine 0 N--CA 1.448 -0.529 0 C-N-CA 120.674 -0.774 . . . . 0.0 112.266 -179.588 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 48' ' ' MET . . . . . 0.422 ' HB3' ' CB ' ' A' ' 23' ' ' LEU . 71.1 mtm -67.3 119.44 12.17 Favored 'General case' 0 C--N 1.329 -0.319 0 N-CA-C 109.91 -0.404 . . . . 0.0 109.91 178.029 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 7.5 pt20 -146.63 136.11 22.93 Favored 'General case' 0 C--N 1.323 -0.554 0 CA-C-O 121.109 0.481 . . . . 0.0 111.227 -175.381 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -91.18 145.49 24.63 Favored 'General case' 0 C--N 1.321 -0.636 0 CA-C-N 115.756 -0.657 . . . . 0.0 109.895 176.555 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -84.3 162.78 19.97 Favored 'General case' 0 C--N 1.321 -0.672 0 CA-C-N 116.449 -0.342 . . . . 0.0 110.908 179.908 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -64.8 97.1 0.2 Allowed 'General case' 0 C--O 1.235 0.307 0 CA-C-N 115.785 -0.643 . . . . 0.0 111.339 -179.179 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 53' ' ' LEU . . . . . 0.456 HD12 HG12 ' A' ' 18' ' ' ILE . 3.4 tm? -103.77 120.18 40.44 Favored 'General case' 0 C--N 1.322 -0.614 0 CA-C-N 115.709 -0.678 . . . . 0.0 109.657 -179.414 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 54' ' ' ASN . . . . . . . . . . . . . 7.3 t30 -159.51 98.85 1.42 Allowed 'General case' 0 C--N 1.326 -0.446 0 CA-C-N 116.357 -0.383 . . . . 0.0 110.136 177.821 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . 178.46 166.66 35.05 Favored Glycine 0 N--CA 1.448 -0.561 0 C-N-CA 120.703 -0.761 . . . . 0.0 112.155 -179.964 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 56' ' ' SER . . . . . 0.524 ' HA ' ' HA ' ' A' ' 15' ' ' ASN . 22.8 t -94.81 107.04 19.05 Favored 'General case' 0 C--N 1.324 -0.513 0 N-CA-C 109.713 -0.477 . . . . 0.0 109.713 176.957 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 57' ' ' MET . . . . . . . . . . . . . 21.3 ptp -157.63 176.75 12.22 Favored 'General case' 0 C--N 1.326 -0.452 0 CA-C-N 115.919 -0.582 . . . . 0.0 110.637 -175.676 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 9.5 m -84.55 176.24 8.75 Favored 'General case' 0 C--N 1.324 -0.523 0 CA-C-N 116.411 -0.359 . . . . 0.0 110.907 -179.792 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 59' ' ' VAL . . . . . . . . . . . . . 47.7 t -58.72 -38.67 73.29 Favored 'Isoleucine or valine' 0 CA--C 1.516 -0.357 0 N-CA-C 110.156 -0.312 . . . . 0.0 110.156 178.607 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 60' ' ' GLU . . . . . 0.61 ' O ' ' HG3' ' A' ' 64' ' ' ARG . 43.2 mt-10 -52.35 -70.64 0.08 Allowed 'General case' 0 C--O 1.223 -0.3 0 O-C-N 123.489 0.493 . . . . 0.0 111.069 -179.959 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 61' ' ' GLN . . . . . . . . . . . . . 84.4 mm-40 -59.66 -40.88 89.2 Favored 'General case' 0 C--N 1.327 -0.398 0 N-CA-C 111.84 0.311 . . . . 0.0 111.84 -175.325 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . -60.86 -50.57 66.11 Favored Glycine 0 N--CA 1.45 -0.4 0 C-N-CA 120.652 -0.785 . . . . 0.0 112.183 -179.847 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 63' ' ' LEU . . . . . 0.576 HD11 HD12 ' A' ' 67' ' ' ILE . 1.8 tm? -67.35 -39.37 85.73 Favored 'General case' 0 C--N 1.324 -0.524 0 CA-C-O 120.931 0.396 . . . . 0.0 110.172 -178.349 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 64' ' ' ARG . . . . . 0.61 ' HG3' ' O ' ' A' ' 60' ' ' GLU . 67.7 mtt180 -60.05 -43.7 95.21 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.004 -0.544 . . . . 0.0 111.194 -178.667 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 65' ' ' ARG . . . . . . . . . . . . . 22.5 mtp180 -75.32 -28.26 59.58 Favored 'General case' 0 C--N 1.324 -0.536 0 CA-C-O 121.185 0.517 . . . . 0.0 110.616 178.076 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 66' ' ' LEU . . . . . 0.474 ' HB3' ' HE3' ' A' ' 27' ' ' MET . 3.5 mt -70.84 -50.86 30.81 Favored 'General case' 0 C--N 1.321 -0.659 0 CA-C-N 115.373 -0.831 . . . . 0.0 112.917 -175.066 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 67' ' ' ILE . . . . . 0.576 HD12 HD11 ' A' ' 63' ' ' LEU . 13.8 mt -83.2 -61.53 1.73 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 N-CA-C 113.523 0.934 . . . . 0.0 113.523 -169.5 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 68' ' ' GLY . . . . . 0.473 ' C ' ' H ' ' A' ' 70' ' ' ASN . . . -111.65 -61.53 0.47 Allowed Glycine 0 N--CA 1.447 -0.574 0 C-N-CA 119.067 -1.54 . . . . 0.0 114.904 -166.752 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . 79.66 -22.36 4.08 Favored Glycine 0 CA--C 1.52 0.385 0 N-CA-C 110.572 -1.011 . . . . 0.0 110.572 -167.182 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 70' ' ' ASN . . . . . 0.473 ' H ' ' C ' ' A' ' 68' ' ' GLY . 17.3 m120 -103.63 151.23 38.71 Favored Pre-proline 0 C--N 1.325 -0.489 0 N-CA-C 108.712 -0.847 . . . . 0.0 108.712 168.736 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 71' ' ' PRO . . . . . . . . . . . . . 18.0 Cg_endo -59.08 103.24 0.17 Allowed 'Trans proline' 0 CA--C 1.535 0.539 0 C-N-CA 123.178 2.586 . . . . 0.0 113.813 -176.211 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 72' ' ' VAL . . . . . . . . . . . . . 12.6 p -150.26 138.88 14.87 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.399 0 CA-C-N 115.211 -0.904 . . . . 0.0 108.936 175.557 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -90.68 143.12 27.06 Favored 'General case' 0 C--N 1.32 -0.693 0 CA-C-O 121.017 0.436 . . . . 0.0 111.874 -167.524 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 74' ' ' PHE . . . . . 0.404 ' CD2' HD12 ' A' ' 63' ' ' LEU . 4.9 p90 -123.85 125.61 44.97 Favored 'General case' 0 C--N 1.322 -0.62 0 CA-C-N 116.103 -0.499 . . . . 0.0 110.173 176.497 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 75' ' ' ARG . . . . . . . . . . . . . 17.2 tpp180 -99.12 113.89 26.34 Favored 'General case' 0 C--N 1.321 -0.647 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.584 -177.868 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 76' ' ' LEU . . . . . . . . . . . . . 72.2 mt -90.79 99.36 12.41 Favored 'General case' 0 C--N 1.325 -0.495 0 CA-C-N 115.966 -0.561 . . . . 0.0 109.5 177.704 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 77' ' ' GLN . . . . . 0.425 ' HA ' ' HD3' ' A' ' 78' ' ' PRO . 43.7 mt-30 -86.36 130.73 48.46 Favored Pre-proline 0 C--N 1.321 -0.641 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.877 -176.668 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 78' ' ' PRO . . . . . 0.425 ' HD3' ' HA ' ' A' ' 77' ' ' GLN . 51.5 Cg_exo -56.25 -15.58 15.02 Favored 'Trans proline' 0 N--CA 1.477 0.525 0 C-N-CA 123.792 2.995 . . . . 0.0 113.969 -178.892 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 79' ' ' GLN . . . . . . . . . . . . . 77.0 mt-30 -81.01 -0.98 42.03 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 120.802 0.334 . . . . 0.0 111.021 176.853 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 80' ' ' GLY . . . . . 0.458 ' HA2' ' HG2' ' A' ' 36' ' ' MET . . . 95.46 36.12 5.48 Favored Glycine 0 N--CA 1.447 -0.628 0 C-N-CA 120.739 -0.743 . . . . 0.0 112.765 176.964 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 81' ' ' GLN . . . . . . . . . . . . . 84.8 mm-40 -127.38 137.29 52.73 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-N 116.9 0.35 . . . . 0.0 111.203 -177.598 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 82' ' ' ILE . . . . . 0.424 HG13 ' HB3' ' A' ' 36' ' ' MET . 56.9 mt -114.39 102.84 14.43 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 N-CA-C 109.282 -0.636 . . . . 0.0 109.282 174.852 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 83' ' ' VAL . . . . . . . . . . . . . 57.4 t -106.72 128.19 61.62 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.685 0 CA-C-N 116.294 -0.412 . . . . 0.0 110.265 -179.138 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 84' ' ' LEU . . . . . . . . . . . . . 17.2 tp -83.99 141.2 31.38 Favored 'General case' 0 C--N 1.325 -0.492 0 N-CA-C 109.734 -0.469 . . . . 0.0 109.734 179.645 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 85' ' ' SER . . . . . . . . . . . . . 24.0 m -136.12 143.3 44.47 Favored 'General case' 0 C--N 1.321 -0.672 0 N-CA-C 109.812 -0.44 . . . . 0.0 109.812 179.955 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 86' ' ' ARG . . . . . . . . . . . . . 33.7 mmt180 -85.4 64.65 8.77 Favored 'General case' 0 C--N 1.322 -0.629 0 CA-C-O 121.029 0.443 . . . . 0.0 111.782 -172.649 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 87' ' ' LEU . . . . . . . . . . . . . 2.8 mm? . . . . . 0 C--N 1.327 -0.408 0 CA-C-N 115.863 -0.608 . . . . 0.0 109.639 174.659 . . . . . . . . 0 0 . 1 . 017 nuclear build core ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 35.0 tt0 . . . . . 0 N--CA 1.453 -0.301 0 N-CA-C 109.747 -0.464 . . . . 0.0 109.747 . . . . . . . . . 0 0 . 1 . 017 nuclear build core ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 5.1 pm0 -64.76 135.77 56.19 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-O 121.106 0.479 . . . . 0.0 110.24 -179.312 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 14' ' ' LYS . . . . . 0.554 ' O ' ' HA ' ' A' ' 56' ' ' SER . 73.9 mmtt -108.36 142.81 38.13 Favored 'General case' 0 C--N 1.319 -0.725 0 CA-C-N 115.769 -0.65 . . . . 0.0 109.884 -175.008 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 15' ' ' ASN . . . . . . . . . . . . . 18.4 m120 -80.65 104.13 10.97 Favored 'General case' 0 C--N 1.322 -0.618 0 CA-C-O 120.963 0.411 . . . . 0.0 110.41 178.975 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 16' ' ' PHE . . . . . 0.415 ' O ' ' HA ' ' A' ' 54' ' ' ASN . 86.1 m-85 -99.3 109.83 22.42 Favored 'General case' 0 C--N 1.319 -0.745 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.38 -179.389 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 82.4 m-20 -118.32 88.62 2.96 Favored 'General case' 0 C--N 1.322 -0.608 0 N-CA-C 109.217 -0.66 . . . . 0.0 109.217 176.006 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 18' ' ' ILE . . . . . . . . . . . . . 14.4 mt -127.0 119.26 52.58 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.578 0 CA-C-O 120.747 0.308 . . . . 0.0 110.782 -175.471 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -77.91 160.28 28.34 Favored 'General case' 0 C--N 1.325 -0.499 0 N-CA-C 109.109 -0.7 . . . . 0.0 109.109 173.799 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -70.21 102.74 2.17 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 121.39 0.614 . . . . 0.0 111.34 -174.186 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 21' ' ' GLN . . . . . . . . . . . . . 78.7 mt-30 -106.09 169.81 6.52 Favored Pre-proline 0 C--N 1.322 -0.619 0 CA-C-N 115.145 -0.934 . . . . 0.0 110.211 175.198 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 22' ' ' PRO . . . . . 0.443 ' HA ' ' O ' ' A' ' 48' ' ' MET . 52.8 Cg_exo -53.47 133.31 52.81 Favored 'Trans proline' 0 C--N 1.348 0.503 0 C-N-CA 121.952 1.768 . . . . 0.0 109.991 166.738 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 56.5 tp -51.3 -45.94 62.35 Favored 'General case' 0 N--CA 1.467 0.413 0 N-CA-C 112.981 0.734 . . . . 0.0 112.981 -167.238 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 11.1 mm100 -64.86 -32.9 74.82 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-O 120.856 0.36 . . . . 0.0 110.995 -176.709 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 18.7 m -86.9 -25.77 24.27 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.712 179.817 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -62.38 -45.72 91.9 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-O 121.405 0.621 . . . . 0.0 110.173 175.762 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 27' ' ' MET . . . . . 0.535 ' HG3' ' CG1' ' A' ' 38' ' ' VAL . 25.6 mmt -74.14 -19.12 60.67 Favored 'General case' 0 C--N 1.322 -0.594 0 CA-C-N 115.458 -0.792 . . . . 0.0 110.464 178.102 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 28' ' ' LEU . . . . . 0.578 ' O ' ' HB3' ' A' ' 32' ' ' GLU . 5.7 tt -65.63 -26.34 67.78 Favored 'General case' 0 C--N 1.321 -0.672 0 N-CA-C 108.718 -0.845 . . . . 0.0 108.718 174.1 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 29' ' ' ARG . . . . . 0.6 ' HA ' ' NH1' ' A' ' 29' ' ' ARG . 9.6 mmm180 -73.53 -55.37 6.41 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.36 -0.382 . . . . 0.0 111.09 179.722 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 7.9 t80 -79.94 -55.86 4.67 Favored 'General case' 0 C--N 1.325 -0.485 0 CA-C-O 121.243 0.544 . . . . 0.0 111.558 -178.231 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -69.21 -16.98 63.73 Favored 'General case' 0 C--N 1.319 -0.739 0 CA-C-N 116.007 -0.542 . . . . 0.0 112.334 -169.963 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 32' ' ' GLU . . . . . 0.578 ' HB3' ' O ' ' A' ' 28' ' ' LEU . 8.5 pt-20 -60.75 -33.13 72.47 Favored 'General case' 0 N--CA 1.471 0.588 0 C-N-CA 120.016 -0.673 . . . . 0.0 110.302 175.842 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 33' ' ' GLN . . . . . . . . . . . . . 85.7 mm-40 -77.84 -27.64 49.95 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-O 121.233 0.539 . . . . 0.0 109.929 -179.778 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -88.72 -7.19 56.74 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-N 115.612 -0.722 . . . . 0.0 111.337 179.346 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 77.39 29.77 55.31 Favored Glycine 0 C--N 1.33 0.23 0 C-N-CA 121.135 -0.555 . . . . 0.0 112.207 -179.663 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 36' ' ' MET . . . . . 0.414 ' HG2' ' HA2' ' A' ' 80' ' ' GLY . 64.8 mtp -134.61 173.31 11.81 Favored 'General case' 0 C--N 1.323 -0.577 0 CA-C-O 120.649 0.262 . . . . 0.0 110.903 -174.361 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 37' ' ' GLN . . . . . 0.475 ' O ' ' HA ' ' A' ' 81' ' ' GLN . 55.6 tt0 -161.8 160.27 28.05 Favored 'General case' 0 C--N 1.327 -0.401 0 N-CA-C 108.635 -0.876 . . . . 0.0 108.635 171.165 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 38' ' ' VAL . . . . . 0.535 ' CG1' ' HG3' ' A' ' 27' ' ' MET . 0.7 OUTLIER -76.63 134.64 28.42 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.398 0 CA-C-O 121.031 0.443 . . . . 0.0 110.532 -179.851 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 39' ' ' PHE . . . . . . . . . . . . . 77.7 t80 -115.74 119.54 36.39 Favored 'General case' 0 C--N 1.321 -0.65 0 CA-C-N 115.739 -0.664 . . . . 0.0 110.939 -175.88 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 40' ' ' PHE . . . . . . . . . . . . . 80.4 m-85 -129.13 170.37 13.61 Favored 'General case' 0 C--N 1.316 -0.853 0 N-CA-C 108.543 -0.91 . . . . 0.0 108.543 174.508 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 26.3 t70 -76.18 143.66 40.99 Favored 'General case' 0 C--N 1.321 -0.645 0 N-CA-C 109.341 -0.614 . . . . 0.0 109.341 177.923 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 46.5 mt-10 -62.53 95.79 0.07 Allowed 'General case' 0 C--N 1.328 -0.341 0 CA-C-O 121.295 0.569 . . . . 0.0 111.375 -177.201 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 43' ' ' VAL . . . . . . . . . . . . . 9.1 p -130.01 140.76 48.14 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.742 0 CA-C-N 115.194 -0.912 . . . . 0.0 109.589 177.633 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 24.0 ttmm -87.39 88.15 7.6 Favored 'General case' 0 C--N 1.322 -0.623 0 N-CA-C 109.213 -0.662 . . . . 0.0 109.213 177.243 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 69.1 tp -123.41 116.07 22.66 Favored 'General case' 0 C--N 1.319 -0.757 0 CA-C-N 115.384 -0.825 . . . . 0.0 110.033 -177.984 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 16.0 t70 -85.12 144.26 28.32 Favored 'General case' 0 C--N 1.319 -0.748 0 N-CA-C 109.331 -0.618 . . . . 0.0 109.331 177.264 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 114.19 8.1 17.82 Favored Glycine 0 N--CA 1.444 -0.769 0 C-N-CA 120.462 -0.875 . . . . 0.0 112.03 -179.25 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 48' ' ' MET . . . . . 0.443 ' O ' ' HA ' ' A' ' 22' ' ' PRO . 66.7 mtt -70.64 117.74 12.55 Favored 'General case' 0 N--CA 1.451 -0.384 0 N-CA-C 108.804 -0.813 . . . . 0.0 108.804 175.559 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 27.0 pt20 -153.19 140.01 19.06 Favored 'General case' 0 C--N 1.318 -0.774 0 CA-C-O 121.037 0.446 . . . . 0.0 110.993 -174.625 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -91.72 165.22 13.41 Favored 'General case' 0 C--N 1.317 -0.83 0 CA-C-N 115.385 -0.825 . . . . 0.0 109.451 174.77 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -93.49 154.42 17.91 Favored 'General case' 0 C--N 1.318 -0.778 0 CA-C-N 116.383 -0.372 . . . . 0.0 110.072 179.272 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -64.67 97.13 0.2 Allowed 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.55 179.097 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 57.4 tp -97.41 119.02 35.19 Favored 'General case' 0 C--N 1.322 -0.629 0 CA-C-N 115.6 -0.727 . . . . 0.0 110.701 -176.562 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 54' ' ' ASN . . . . . 0.415 ' HA ' ' O ' ' A' ' 16' ' ' PHE . 25.3 t-20 -146.89 98.25 3.02 Favored 'General case' 0 C--N 1.322 -0.621 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.106 177.564 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . 178.18 160.13 24.01 Favored Glycine 0 N--CA 1.448 -0.53 0 C-N-CA 120.714 -0.755 . . . . 0.0 112.255 179.416 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 56' ' ' SER . . . . . 0.554 ' HA ' ' O ' ' A' ' 14' ' ' LYS . 22.6 p -98.47 108.24 20.89 Favored 'General case' 0 C--N 1.323 -0.549 0 N-CA-C 109.934 -0.395 . . . . 0.0 109.934 174.946 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 57' ' ' MET . . . . . . . . . . . . . 20.9 ptp -148.55 -175.71 5.03 Favored 'General case' 0 C--N 1.323 -0.549 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.218 -175.405 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 12.9 m -88.67 177.35 6.78 Favored 'General case' 0 C--N 1.324 -0.538 0 N-CA-C 110.429 -0.212 . . . . 0.0 110.429 179.744 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 59' ' ' VAL . . . . . . . . . . . . . 40.6 t -62.16 -43.26 97.62 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 CA-C-O 120.711 0.291 . . . . 0.0 111.126 -176.755 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 60' ' ' GLU . . . . . 0.587 ' HA ' ' CZ ' ' A' ' 74' ' ' PHE . 26.2 mt-10 -56.88 -60.52 3.45 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 116.074 -0.512 . . . . 0.0 112.008 -179.049 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 61' ' ' GLN . . . . . 0.435 ' HA ' ' OE1' ' A' ' 61' ' ' GLN . 16.6 mm-40 -63.66 -32.52 74.02 Favored 'General case' 0 C--N 1.324 -0.523 0 CA-C-N 116.364 -0.38 . . . . 0.0 110.353 179.222 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 62' ' ' GLY . . . . . 0.557 ' O ' ' HB2' ' A' ' 66' ' ' LEU . . . -59.77 -58.41 14.36 Favored Glycine 0 N--CA 1.445 -0.704 0 CA-C-N 115.83 -0.623 . . . . 0.0 111.882 177.058 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 63' ' ' LEU . . . . . 0.491 ' O ' HG13 ' A' ' 67' ' ' ILE . 4.2 mm? -58.21 -43.96 87.9 Favored 'General case' 0 C--N 1.331 -0.204 0 CA-C-N 116.681 0.24 . . . . 0.0 111.049 179.659 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 64' ' ' ARG . . . . . . . . . . . . . 51.3 mtp180 -52.29 -54.42 31.72 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.354 -0.384 . . . . 0.0 110.968 178.048 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 65' ' ' ARG . . . . . 0.535 ' HA ' ' HA2' ' A' ' 69' ' ' GLY . 97.0 mtt180 -80.03 -17.81 51.8 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.403 -0.362 . . . . 0.0 111.724 -175.966 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 66' ' ' LEU . . . . . 0.557 ' HB2' ' O ' ' A' ' 62' ' ' GLY . 3.1 tt -73.99 -47.43 37.32 Favored 'General case' 0 C--N 1.323 -0.575 0 CA-C-O 121.124 0.488 . . . . 0.0 109.817 178.903 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 67' ' ' ILE . . . . . 0.491 HG13 ' O ' ' A' ' 63' ' ' LEU . 11.1 mt -83.81 -62.36 1.49 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 CA-C-N 116.08 -0.509 . . . . 0.0 111.317 -174.528 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . -113.8 -44.21 0.77 Allowed Glycine 0 CA--C 1.519 0.341 0 C-N-CA 120.621 -0.799 . . . . 0.0 114.13 -174.28 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 69' ' ' GLY . . . . . 0.535 ' HA2' ' HA ' ' A' ' 65' ' ' ARG . . . 103.79 -12.75 53.42 Favored Glycine 0 CA--C 1.513 -0.082 0 N-CA-C 110.452 -1.059 . . . . 0.0 110.452 -168.642 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 70' ' ' ASN . . . . . . . . . . . . . 21.0 p-10 -100.34 167.08 11.49 Favored Pre-proline 0 C--N 1.32 -0.708 0 CA-C-N 114.386 -0.907 . . . . 0.0 110.614 -177.404 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 71' ' ' PRO . . . . . . . . . . . . . 16.3 Cg_exo -69.01 124.89 11.86 Favored 'Trans proline' 0 C--N 1.346 0.408 0 C-N-CA 122.589 2.192 . . . . 0.0 110.802 170.814 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 72' ' ' VAL . . . . . . . . . . . . . 8.8 p -148.3 158.8 7.47 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.602 0 N-CA-C 109.623 -0.51 . . . . 0.0 109.623 -174.816 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 73' ' ' ALA . . . . . 0.526 ' HB3' ' O ' ' A' ' 85' ' ' SER . . . -104.99 119.0 37.94 Favored 'General case' 0 N--CA 1.442 -0.839 0 CA-C-N 116.405 -0.361 . . . . 0.0 110.957 -178.671 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 74' ' ' PHE . . . . . 0.587 ' CZ ' ' HA ' ' A' ' 60' ' ' GLU . 6.1 p90 -125.48 133.69 52.32 Favored 'General case' 0 C--N 1.32 -0.691 0 CA-C-O 120.966 0.412 . . . . 0.0 110.017 -179.343 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 75' ' ' ARG . . . . . . . . . . . . . 24.2 mmt180 -103.24 119.67 39.3 Favored 'General case' 0 C--N 1.317 -0.811 0 CA-C-N 116.075 -0.511 . . . . 0.0 110.434 177.005 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 76' ' ' LEU . . . . . . . . . . . . . 71.5 mt -86.77 98.5 11.2 Favored 'General case' 0 C--N 1.321 -0.657 0 N-CA-C 108.911 -0.774 . . . . 0.0 108.911 176.337 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 77' ' ' GLN . . . . . . . . . . . . . 68.1 mt-30 -87.65 130.16 48.13 Favored Pre-proline 0 C--N 1.32 -0.704 0 CA-C-N 115.948 -0.569 . . . . 0.0 110.903 -175.359 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 78' ' ' PRO . . . . . . . . . . . . . 50.5 Cg_exo -57.31 -17.21 25.46 Favored 'Trans proline' 0 C--N 1.347 0.494 0 C-N-CA 123.365 2.71 . . . . 0.0 112.523 176.161 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 79' ' ' GLN . . . . . . . . . . . . . 43.7 mt-30 -73.17 -3.32 25.85 Favored 'General case' 0 C--O 1.233 0.188 0 CA-C-N 116.097 -0.502 . . . . 0.0 111.178 175.404 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 80' ' ' GLY . . . . . 0.414 ' HA2' ' HG2' ' A' ' 36' ' ' MET . . . 90.02 34.89 7.94 Favored Glycine 0 N--CA 1.445 -0.732 0 C-N-CA 120.968 -0.634 . . . . 0.0 112.376 179.224 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 81' ' ' GLN . . . . . 0.475 ' HA ' ' O ' ' A' ' 37' ' ' GLN . 66.4 mt-30 -129.16 133.5 47.63 Favored 'General case' 0 C--N 1.325 -0.463 0 CA-C-O 120.859 0.361 . . . . 0.0 111.529 -177.316 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 82' ' ' ILE . . . . . 0.432 ' HB ' HG12 ' A' ' 38' ' ' VAL . 56.0 mt -107.31 104.25 16.77 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.587 0 N-CA-C 108.563 -0.903 . . . . 0.0 108.563 170.621 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 83' ' ' VAL . . . . . . . . . . . . . 59.7 t -118.61 130.69 73.1 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.556 0 CA-C-O 120.752 0.311 . . . . 0.0 110.825 -176.671 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 84' ' ' LEU . . . . . 0.423 ' CD1' ' HB3' ' A' ' 74' ' ' PHE . 2.6 mm? -85.52 166.71 16.06 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-O 121.646 0.736 . . . . 0.0 111.575 179.716 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 85' ' ' SER . . . . . 0.526 ' O ' ' HB3' ' A' ' 73' ' ' ALA . 20.2 t -161.2 167.78 25.42 Favored 'General case' 0 N--CA 1.445 -0.716 0 CA-C-N 114.521 -1.218 . . . . 0.0 108.447 171.516 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 86' ' ' ARG . . . . . . . . . . . . . 8.0 ptp180 -102.78 78.02 1.64 Allowed 'General case' 0 C--N 1.319 -0.739 0 CA-C-O 121.748 0.785 . . . . 0.0 110.76 -178.927 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 87' ' ' LEU . . . . . 0.441 HD13 ' CB ' ' A' ' 73' ' ' ALA . 10.7 mp . . . . . 0 C--N 1.325 -0.472 0 CA-C-N 115.176 -0.92 . . . . 0.0 110.155 178.504 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 11.7 pt20 . . . . . 0 N--CA 1.448 -0.55 0 N-CA-C 110.114 -0.328 . . . . 0.0 110.114 . . . . . . . . . 0 0 . 1 . 018 nuclear build core ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 10.7 pt20 -135.0 157.29 47.32 Favored 'General case' 0 C--N 1.319 -0.726 0 CA-C-N 116.126 -0.488 . . . . 0.0 109.856 175.903 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 14' ' ' LYS . . . . . 0.519 ' HB2' ' CE2' ' A' ' 16' ' ' PHE . 28.3 mmmt -122.84 146.07 47.88 Favored 'General case' 0 C--N 1.321 -0.659 0 N-CA-C 109.849 -0.426 . . . . 0.0 109.849 -178.929 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 15' ' ' ASN . . . . . . . . . . . . . 10.3 t30 -93.0 101.92 14.26 Favored 'General case' 0 C--N 1.322 -0.62 0 CA-C-O 120.954 0.407 . . . . 0.0 110.095 179.04 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 16' ' ' PHE . . . . . 0.519 ' CE2' ' HB2' ' A' ' 14' ' ' LYS . 91.4 m-85 -100.49 134.92 42.73 Favored 'General case' 0 C--N 1.322 -0.623 0 CA-C-N 115.838 -0.619 . . . . 0.0 110.556 -178.604 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 3.4 p30 -132.62 89.35 2.63 Favored 'General case' 0 C--N 1.32 -0.714 0 CA-C-O 121.599 0.714 . . . . 0.0 109.19 173.127 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 18' ' ' ILE . . . . . 0.436 ' HB ' ' HB3' ' A' ' 53' ' ' LEU . 21.4 mm -115.21 115.75 50.39 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.522 0 CA-C-N 115.551 -0.749 . . . . 0.0 110.705 -173.181 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -72.68 153.98 40.94 Favored 'General case' 0 C--N 1.324 -0.513 0 N-CA-C 108.789 -0.819 . . . . 0.0 108.789 171.577 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -68.7 101.63 1.35 Allowed 'General case' 0 N--CA 1.454 -0.274 0 CA-C-O 121.637 0.732 . . . . 0.0 110.679 -175.341 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 21' ' ' GLN . . . . . . . . . . . . . 35.9 mt-30 -107.14 170.72 5.34 Favored Pre-proline 0 C--N 1.319 -0.73 0 CA-C-N 114.647 -1.16 . . . . 0.0 109.599 174.996 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 22' ' ' PRO . . . . . . . . . . . . . 54.5 Cg_exo -54.04 130.35 39.0 Favored 'Trans proline' 0 N--CA 1.461 -0.432 0 C-N-CA 121.657 1.571 . . . . 0.0 109.861 165.012 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -51.26 -44.57 61.81 Favored 'General case' 0 C--N 1.327 -0.375 0 N-CA-C 112.541 0.571 . . . . 0.0 112.541 -166.561 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 67.7 mt-30 -52.38 -55.73 19.7 Favored 'General case' 0 N--CA 1.465 0.321 0 O-C-N 123.235 0.334 . . . . 0.0 111.9 176.895 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 25' ' ' SER . . . . . 0.671 ' O ' ' HG2' ' A' ' 29' ' ' ARG . 19.1 p -69.74 -25.3 63.77 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.717 -0.22 . . . . 0.0 111.525 -178.616 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -56.73 -56.48 20.96 Favored 'General case' 0 C--O 1.234 0.243 0 CA-C-O 121.296 0.569 . . . . 0.0 111.173 -178.688 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 27' ' ' MET . . . . . 0.423 ' HA ' ' CE2' ' A' ' 30' ' ' PHE . 43.6 mtt -74.39 -29.17 61.42 Favored 'General case' 0 C--N 1.321 -0.648 0 CA-C-N 115.868 -0.606 . . . . 0.0 109.947 179.982 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 50.9 tp -58.31 -25.45 61.9 Favored 'General case' 0 C--O 1.213 -0.843 0 CA-C-N 116.387 -0.37 . . . . 0.0 110.277 176.843 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 29' ' ' ARG . . . . . 0.671 ' HG2' ' O ' ' A' ' 25' ' ' SER . 1.5 mmp_? -74.21 -60.76 2.12 Favored 'General case' 0 C--N 1.327 -0.394 0 O-C-N 122.259 -0.276 . . . . 0.0 111.575 178.667 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 30' ' ' PHE . . . . . 0.423 ' CE2' ' HA ' ' A' ' 27' ' ' MET . 5.2 p90 -80.85 -40.11 25.37 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-O 121.168 0.509 . . . . 0.0 111.469 -173.453 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 31' ' ' ALA . . . . . 0.436 ' HB1' ' HB2' ' A' ' 36' ' ' MET . . . -74.53 -33.5 62.77 Favored 'General case' 0 C--N 1.323 -0.561 0 CA-C-N 115.852 -0.613 . . . . 0.0 111.761 -172.636 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 8.0 pt-20 -61.79 -33.05 73.42 Favored 'General case' 0 N--CA 1.466 0.373 0 C-N-CA 120.085 -0.646 . . . . 0.0 110.351 -178.948 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 33' ' ' GLN . . . . . . . . . . . . . 76.7 mt-30 -76.67 -19.66 57.51 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 115.867 -0.606 . . . . 0.0 110.579 -179.47 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -95.14 -8.02 37.59 Favored 'General case' 0 C--N 1.326 -0.449 0 CA-C-N 116.053 -0.521 . . . . 0.0 111.15 177.574 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 88.96 34.95 8.5 Favored Glycine 0 N--CA 1.451 -0.302 0 C-N-CA 120.959 -0.639 . . . . 0.0 112.294 -179.642 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 36' ' ' MET . . . . . 0.436 ' HB2' ' HB1' ' A' ' 31' ' ' ALA . 89.6 mtp -135.27 157.39 47.04 Favored 'General case' 0 C--N 1.327 -0.37 0 N-CA-C 110.173 -0.306 . . . . 0.0 110.173 -179.246 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 37' ' ' GLN . . . . . 0.432 ' O ' ' HA ' ' A' ' 81' ' ' GLN . 60.7 tt0 -151.66 159.05 44.17 Favored 'General case' 0 C--N 1.325 -0.47 0 N-CA-C 109.994 -0.373 . . . . 0.0 109.994 -179.637 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 21.4 t -77.67 133.27 30.92 Favored 'Isoleucine or valine' 0 C--O 1.235 0.307 0 CA-C-N 116.577 -0.283 . . . . 0.0 110.412 -177.773 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 39' ' ' PHE . . . . . 0.49 ' HB2' ' HB2' ' A' ' 81' ' ' GLN . 86.4 t80 -101.49 123.19 45.13 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.293 -0.412 . . . . 0.0 110.78 -178.154 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 40' ' ' PHE . . . . . . . . . . . . . 20.6 p90 -167.69 140.92 3.35 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-N 115.929 -0.578 . . . . 0.0 110.098 178.86 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 9.1 p-10 -79.45 -177.68 5.9 Favored 'General case' 0 C--N 1.326 -0.456 0 N-CA-C 109.542 -0.54 . . . . 0.0 109.542 176.274 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 42.2 mt-10 -67.35 89.48 0.21 Allowed 'General case' 0 C--O 1.235 0.34 0 CA-C-O 121.406 0.622 . . . . 0.0 111.395 -176.005 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 43' ' ' VAL . . . . . . . . . . . . . 28.0 m -131.73 -177.99 2.41 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.586 0 CA-C-N 115.478 -0.783 . . . . 0.0 110.421 -179.275 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 38.6 ttpt -139.0 121.06 15.67 Favored 'General case' 0 C--N 1.32 -0.688 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.032 177.041 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 59.3 tp -106.6 98.98 8.58 Favored 'General case' 0 C--N 1.32 -0.704 0 N-CA-C 109.519 -0.549 . . . . 0.0 109.519 175.587 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 28.5 t70 -68.23 127.07 31.6 Favored 'General case' 0 C--N 1.324 -0.528 0 CA-C-N 116.319 -0.4 . . . . 0.0 110.174 179.669 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 89.36 17.23 55.82 Favored Glycine 0 N--CA 1.444 -0.811 0 C-N-CA 120.718 -0.753 . . . . 0.0 111.797 -177.745 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 48' ' ' MET . . . . . . . . . . . . . 23.1 ptt? -57.66 118.37 5.19 Favored 'General case' 0 C--O 1.234 0.243 0 CA-C-O 121.169 0.509 . . . . 0.0 110.475 178.613 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 63.5 tt0 -164.38 143.45 7.35 Favored 'General case' 0 C--N 1.322 -0.59 0 CA-C-N 116.048 -0.524 . . . . 0.0 110.174 -177.596 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -83.41 148.0 27.54 Favored 'General case' 0 C--N 1.32 -0.712 0 CA-C-N 115.929 -0.578 . . . . 0.0 110.154 178.034 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -76.34 170.93 15.42 Favored 'General case' 0 C--N 1.322 -0.593 0 CA-C-N 116.1 -0.5 . . . . 0.0 109.916 176.967 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -69.27 89.33 0.47 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 121.174 0.511 . . . . 0.0 110.227 179.546 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 53' ' ' LEU . . . . . 0.436 ' HB3' ' HB ' ' A' ' 18' ' ' ILE . 0.8 OUTLIER -99.31 99.48 10.43 Favored 'General case' 0 N--CA 1.446 -0.668 0 CA-C-N 115.759 -0.655 . . . . 0.0 109.86 -174.718 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 54' ' ' ASN . . . . . . . . . . . . . 4.2 p30 -144.58 99.76 3.41 Favored 'General case' 0 C--N 1.321 -0.65 0 CA-C-N 116.024 -0.535 . . . . 0.0 110.337 179.107 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . 177.92 169.63 39.11 Favored Glycine 0 N--CA 1.449 -0.482 0 C-N-CA 120.553 -0.832 . . . . 0.0 112.548 179.604 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 23.1 t -105.38 106.28 16.7 Favored 'General case' 0 C--N 1.322 -0.591 0 N-CA-C 109.142 -0.688 . . . . 0.0 109.142 175.381 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 57' ' ' MET . . . . . . . . . . . . . 10.5 ptt? -156.24 168.5 27.12 Favored 'General case' 0 C--N 1.324 -0.537 0 CA-C-N 116.085 -0.507 . . . . 0.0 110.516 -173.44 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 32.2 m -75.63 163.73 27.03 Favored 'General case' 0 C--N 1.324 -0.533 0 CA-C-N 116.467 -0.333 . . . . 0.0 111.109 -176.577 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 59' ' ' VAL . . . . . . . . . . . . . 29.4 t -53.5 -42.19 48.45 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.396 0 CA-C-O 120.553 0.216 . . . . 0.0 111.394 -176.615 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 60' ' ' GLU . . . . . 0.541 ' HA ' ' CZ ' ' A' ' 74' ' ' PHE . 44.1 mt-10 -55.07 -51.25 66.95 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-N 116.277 -0.42 . . . . 0.0 111.563 178.026 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 61' ' ' GLN . . . . . . . . . . . . . 30.4 mm-40 -68.97 -38.85 79.61 Favored 'General case' 0 C--N 1.325 -0.487 0 CA-C-O 120.788 0.328 . . . . 0.0 110.797 -179.852 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 62' ' ' GLY . . . . . 0.469 ' O ' ' HB2' ' A' ' 66' ' ' LEU . . . -62.74 -56.8 19.11 Favored Glycine 0 N--CA 1.446 -0.687 0 C-N-CA 121.045 -0.598 . . . . 0.0 112.509 -178.957 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 63' ' ' LEU . . . . . 0.437 ' O ' HG13 ' A' ' 67' ' ' ILE . 3.8 mm? -64.97 -46.25 82.28 Favored 'General case' 0 C--N 1.327 -0.401 0 N-CA-C 112.022 0.378 . . . . 0.0 112.022 -175.456 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 64' ' ' ARG . . . . . . . . . . . . . 74.3 mtt180 -59.3 -37.76 78.51 Favored 'General case' 0 N--CA 1.466 0.33 0 CA-C-O 120.755 0.312 . . . . 0.0 111.365 -177.705 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 65' ' ' ARG . . . . . . . . . . . . . 67.8 ttt180 -78.53 -39.4 38.01 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-O 120.79 0.328 . . . . 0.0 110.57 177.742 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 66' ' ' LEU . . . . . 0.469 ' HB2' ' O ' ' A' ' 62' ' ' GLY . 4.5 tt -59.85 -42.54 93.85 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 115.818 -0.628 . . . . 0.0 110.365 -179.95 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 67' ' ' ILE . . . . . 0.53 HG21 HD13 ' A' ' 84' ' ' LEU . 71.8 mt -73.81 -62.11 1.44 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.417 0 CA-C-N 115.573 -0.74 . . . . 0.0 111.059 -179.131 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . -113.43 -59.64 0.41 Allowed Glycine 0 N--CA 1.446 -0.686 0 C-N-CA 120.605 -0.807 . . . . 0.0 113.653 -175.556 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . 101.89 -19.86 47.99 Favored Glycine 0 N--CA 1.451 -0.343 0 N-CA-C 110.076 -1.21 . . . . 0.0 110.076 -168.833 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 70' ' ' ASN . . . . . . . . . . . . . 16.0 m120 -98.62 161.98 23.28 Favored Pre-proline 0 C--N 1.323 -0.559 0 CA-C-N 114.525 -0.838 . . . . 0.0 108.814 175.689 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 71' ' ' PRO . . . . . . . . . . . . . 18.7 Cg_endo -60.18 98.81 0.13 Allowed 'Trans proline' 0 C--N 1.347 0.456 0 C-N-CA 122.125 1.883 . . . . 0.0 112.124 177.144 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 72' ' ' VAL . . . . . . . . . . . . . 9.6 p -143.01 159.57 17.93 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.683 0 N-CA-C 108.55 -0.907 . . . . 0.0 108.55 -179.706 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 73' ' ' ALA . . . . . 0.453 ' HB3' ' HB2' ' A' ' 87' ' ' LEU . . . -115.64 133.6 55.87 Favored 'General case' 0 N--CA 1.445 -0.713 0 C-N-CA 120.567 -0.453 . . . . 0.0 111.56 -170.841 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 74' ' ' PHE . . . . . 0.644 ' CE1' ' HG ' ' A' ' 76' ' ' LEU . 3.2 p90 -105.99 159.61 15.92 Favored 'General case' 0 C--N 1.315 -0.895 0 N-CA-C 108.65 -0.87 . . . . 0.0 108.65 171.895 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 75' ' ' ARG . . . . . . . . . . . . . 58.7 mtm180 -123.56 104.61 9.15 Favored 'General case' 0 C--N 1.317 -0.827 0 CA-C-O 121.131 0.491 . . . . 0.0 110.366 175.131 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 76' ' ' LEU . . . . . 0.644 ' HG ' ' CE1' ' A' ' 74' ' ' PHE . 50.0 mt -92.27 122.8 35.09 Favored 'General case' 0 C--N 1.324 -0.514 0 CA-C-N 115.661 -0.7 . . . . 0.0 110.015 177.639 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 77' ' ' GLN . . . . . . . . . . . . . 82.0 mt-30 -114.12 142.6 28.22 Favored Pre-proline 0 C--N 1.316 -0.868 0 CA-C-N 116.039 -0.528 . . . . 0.0 109.8 179.715 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 78' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_exo -54.59 -10.42 2.38 Favored 'Trans proline' 0 C--N 1.352 0.712 0 C-N-CA 123.958 3.106 . . . . 0.0 114.107 -176.571 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 79' ' ' GLN . . . . . . . . . . . . . 76.3 mt-30 -67.11 -19.83 65.69 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 121.038 0.447 . . . . 0.0 110.36 174.981 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . 95.75 42.0 3.71 Favored Glycine 0 N--CA 1.449 -0.441 0 C-N-CA 120.931 -0.652 . . . . 0.0 112.301 178.375 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 81' ' ' GLN . . . . . 0.49 ' HB2' ' HB2' ' A' ' 39' ' ' PHE . 13.3 pt20 -131.43 150.79 52.01 Favored 'General case' 0 C--N 1.326 -0.454 0 CA-C-O 120.894 0.378 . . . . 0.0 110.995 -177.97 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 82' ' ' ILE . . . . . . . . . . . . . 25.6 mt -119.21 123.54 71.52 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.42 0 CA-C-N 115.643 -0.708 . . . . 0.0 110.145 -179.537 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 83' ' ' VAL . . . . . . . . . . . . . 7.1 p -139.08 139.03 40.85 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.537 0 CA-C-O 120.801 0.334 . . . . 0.0 110.714 178.129 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 84' ' ' LEU . . . . . 0.53 HD13 HG21 ' A' ' 67' ' ' ILE . 50.3 tp -88.62 151.39 22.5 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-N 116.176 -0.466 . . . . 0.0 111.108 -178.923 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 85' ' ' SER . . . . . . . . . . . . . 40.2 m -137.49 137.62 38.87 Favored 'General case' 0 N--CA 1.445 -0.707 0 N-CA-C 109.699 -0.482 . . . . 0.0 109.699 177.283 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 86' ' ' ARG . . . . . . . . . . . . . 23.5 tpp180 -76.61 81.0 3.27 Favored 'General case' 0 C--N 1.326 -0.45 0 CA-C-O 121.457 0.646 . . . . 0.0 110.091 -179.718 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 87' ' ' LEU . . . . . 0.453 ' HB2' ' HB3' ' A' ' 73' ' ' ALA . 15.9 mt . . . . . 0 C--N 1.322 -0.611 0 CA-C-N 115.243 -0.89 . . . . 0.0 109.425 -178.937 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 12' ' ' GLN . . . . . 0.574 ' O ' ' HA ' ' A' ' 58' ' ' SER . 11.4 pt20 . . . . . 0 CA--C 1.528 0.104 0 CA-C-O 121.148 0.499 . . . . 0.0 111.627 . . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 63.7 tt0 -84.8 114.18 21.89 Favored 'General case' 0 C--N 1.324 -0.509 0 CA-C-N 115.976 -0.557 . . . . 0.0 110.592 -179.777 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 14' ' ' LYS . . . . . 0.523 ' HB2' ' CE2' ' A' ' 16' ' ' PHE . 14.7 mmmm -123.28 161.43 24.62 Favored 'General case' 0 C--N 1.324 -0.521 0 N-CA-C 109.778 -0.452 . . . . 0.0 109.778 179.285 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 15' ' ' ASN . . . . . . . . . . . . . 3.9 t-20 -96.25 123.94 40.07 Favored 'General case' 0 C--N 1.321 -0.648 0 N-CA-C 109.897 -0.408 . . . . 0.0 109.897 178.343 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 16' ' ' PHE . . . . . 0.523 ' CE2' ' HB2' ' A' ' 14' ' ' LYS . 85.4 m-85 -128.45 143.81 51.04 Favored 'General case' 0 C--N 1.324 -0.501 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.638 -179.309 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 17' ' ' ASN . . . . . 0.46 ' HA ' ' O ' ' A' ' 53' ' ' LEU . 49.4 t30 -144.12 92.18 2.29 Favored 'General case' 0 C--N 1.323 -0.546 0 CA-C-O 121.329 0.585 . . . . 0.0 109.804 176.034 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 18' ' ' ILE . . . . . . . . . . . . . 12.3 mm -112.04 129.68 67.08 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.713 0 CA-C-N 115.517 -0.765 . . . . 0.0 109.717 -176.843 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -76.11 159.9 30.28 Favored 'General case' 0 C--N 1.324 -0.528 0 N-CA-C 109.221 -0.659 . . . . 0.0 109.221 174.686 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -69.76 101.95 1.81 Allowed 'General case' 0 N--CA 1.453 -0.304 0 CA-C-O 121.483 0.659 . . . . 0.0 110.258 -178.092 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 21' ' ' GLN . . . . . . . . . . . . . 65.8 mt-30 -106.92 172.18 4.07 Favored Pre-proline 0 C--N 1.32 -0.683 0 CA-C-N 114.903 -1.044 . . . . 0.0 110.048 178.05 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 22' ' ' PRO . . . . . . . . . . . . . 50.5 Cg_exo -56.28 128.78 31.55 Favored 'Trans proline' 0 C--N 1.345 0.382 0 C-N-CA 121.599 1.532 . . . . 0.0 109.385 163.572 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 42.2 tp -49.82 -44.27 49.24 Favored 'General case' 0 N--CA 1.468 0.435 0 N-CA-C 113.251 0.834 . . . . 0.0 113.251 -166.911 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 78.6 mt-30 -65.55 -33.77 76.68 Favored 'General case' 0 C--N 1.325 -0.462 0 C-N-CA 121.076 -0.25 . . . . 0.0 111.669 -177.242 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 48.8 m -85.88 -25.68 26.05 Favored 'General case' 0 C--N 1.324 -0.539 0 CA-C-O 120.99 0.424 . . . . 0.0 110.338 177.776 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -59.12 -54.9 41.74 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 115.698 -0.683 . . . . 0.0 110.788 177.946 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 27' ' ' MET . . . . . 0.681 ' HB2' ' CG1' ' A' ' 38' ' ' VAL . 52.0 mtt -69.68 -24.74 63.64 Favored 'General case' 0 C--O 1.213 -0.861 0 CA-C-N 116.017 -0.538 . . . . 0.0 110.292 178.937 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 28' ' ' LEU . . . . . 0.673 ' O ' ' HG3' ' A' ' 32' ' ' GLU . 8.9 tt -60.96 -47.67 85.39 Favored 'General case' 0 C--N 1.321 -0.633 0 N-CA-C 108.656 -0.868 . . . . 0.0 108.656 175.803 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 29' ' ' ARG . . . . . 0.536 ' HD3' ' OE1' ' A' ' 32' ' ' GLU . 28.2 mmt180 -71.25 -43.6 66.94 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.213 -0.448 . . . . 0.0 111.395 179.792 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 6.0 t80 -63.28 -53.68 49.04 Favored 'General case' 0 C--N 1.325 -0.489 0 CA-C-O 121.276 0.56 . . . . 0.0 111.038 178.161 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 31' ' ' ALA . . . . . 0.485 ' HA ' ' HB3' ' A' ' 34' ' ' ALA . . . -72.41 -15.6 61.84 Favored 'General case' 0 C--N 1.321 -0.637 0 CA-C-N 115.712 -0.676 . . . . 0.0 111.057 -175.358 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 32' ' ' GLU . . . . . 0.673 ' HG3' ' O ' ' A' ' 28' ' ' LEU . 18.3 mt-10 -52.04 -37.45 53.61 Favored 'General case' 0 N--CA 1.468 0.452 0 C-N-CA 120.502 -0.479 . . . . 0.0 109.869 168.944 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 33' ' ' GLN . . . . . . . . . . . . . 85.9 mm-40 -90.81 -13.48 33.76 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 115.876 -0.602 . . . . 0.0 111.432 -179.345 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 34' ' ' ALA . . . . . 0.485 ' HB3' ' HA ' ' A' ' 31' ' ' ALA . . . -100.46 -13.78 18.55 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-O 120.884 0.373 . . . . 0.0 111.768 -178.843 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 89.06 35.07 8.35 Favored Glycine 0 CA--C 1.519 0.316 0 C-N-CA 121.314 -0.47 . . . . 0.0 112.849 178.213 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 36' ' ' MET . . . . . . . . . . . . . 65.0 mtm -145.93 175.91 10.09 Favored 'General case' 0 N--CA 1.465 0.286 0 CA-C-N 116.805 0.303 . . . . 0.0 111.242 -176.841 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 37' ' ' GLN . . . . . . . . . . . . . 25.1 mt-30 -149.71 162.77 39.58 Favored 'General case' 0 C--N 1.332 -0.193 0 C-N-CA 123.517 0.727 . . . . 0.0 109.592 175.822 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 38' ' ' VAL . . . . . 0.681 ' CG1' ' HB2' ' A' ' 27' ' ' MET . 33.7 m -76.38 143.61 12.84 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-O 121.06 0.457 . . . . 0.0 111.354 -175.747 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 39' ' ' PHE . . . . . . . . . . . . . 45.9 t80 -144.97 119.74 9.87 Favored 'General case' 0 C--N 1.322 -0.602 0 CA-C-N 115.828 -0.623 . . . . 0.0 109.94 176.889 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 40' ' ' PHE . . . . . . . . . . . . . 92.4 m-85 -134.79 170.02 16.48 Favored 'General case' 0 C--N 1.317 -0.84 0 N-CA-C 109.07 -0.715 . . . . 0.0 109.07 176.234 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 7.7 p-10 -65.99 151.42 46.83 Favored 'General case' 0 C--N 1.322 -0.619 0 N-CA-C 109.482 -0.562 . . . . 0.0 109.482 177.296 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 53.5 mt-10 -69.99 92.15 0.71 Allowed 'General case' 0 C--N 1.324 -0.501 0 CA-C-O 121.125 0.488 . . . . 0.0 111.228 -174.922 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 43' ' ' VAL . . . . . . . . . . . . . 11.7 p -149.52 136.42 13.0 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.61 0 CA-C-N 115.588 -0.733 . . . . 0.0 109.41 176.026 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 37.0 ttpt -83.96 90.84 7.48 Favored 'General case' 0 C--N 1.323 -0.586 0 CA-C-O 120.795 0.331 . . . . 0.0 110.35 -179.465 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 45.7 tp -123.17 111.36 16.41 Favored 'General case' 0 C--N 1.321 -0.658 0 CA-C-O 120.913 0.387 . . . . 0.0 110.076 177.612 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 25.6 t70 -106.74 161.56 14.56 Favored 'General case' 0 C--N 1.322 -0.627 0 CA-C-N 116.017 -0.538 . . . . 0.0 110.151 -178.655 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 111.41 21.6 6.47 Favored Glycine 0 N--CA 1.449 -0.433 0 C-N-CA 120.732 -0.746 . . . . 0.0 111.819 -178.575 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 48' ' ' MET . . . . . . . . . . . . . 64.3 mtt -99.44 119.29 37.76 Favored 'General case' 0 C--N 1.322 -0.591 0 CA-C-O 120.844 0.354 . . . . 0.0 110.218 -179.304 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 7.4 tp60 -124.35 136.77 54.34 Favored 'General case' 0 C--N 1.32 -0.678 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.384 -178.871 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -83.55 163.26 20.53 Favored 'General case' 0 C--N 1.324 -0.532 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.212 177.604 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -97.98 167.95 10.59 Favored 'General case' 0 C--N 1.322 -0.622 0 CA-C-N 116.425 -0.352 . . . . 0.0 110.587 178.808 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -61.16 108.81 0.96 Allowed 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.051 -0.522 . . . . 0.0 110.753 178.429 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 53' ' ' LEU . . . . . 0.46 ' O ' ' HA ' ' A' ' 17' ' ' ASN . 1.4 tm? -104.61 110.8 23.25 Favored 'General case' 0 C--N 1.321 -0.643 0 CA-C-N 115.606 -0.725 . . . . 0.0 110.061 -175.368 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 54' ' ' ASN . . . . . . . . . . . . . 10.8 p30 -155.83 106.9 2.5 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-O 121.258 0.551 . . . . 0.0 111.126 174.888 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . 177.82 174.21 43.95 Favored Glycine 0 N--CA 1.449 -0.467 0 C-N-CA 120.161 -1.019 . . . . 0.0 112.936 177.504 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 38.2 p -105.36 109.37 21.32 Favored 'General case' 0 C--N 1.323 -0.563 0 N-CA-C 109.16 -0.682 . . . . 0.0 109.16 172.453 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 57' ' ' MET . . . . . . . . . . . . . 14.8 ptt? -159.52 174.13 15.11 Favored 'General case' 0 C--N 1.32 -0.693 0 CA-C-N 116.445 -0.343 . . . . 0.0 110.732 -173.139 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 58' ' ' SER . . . . . 0.574 ' HA ' ' O ' ' A' ' 12' ' ' GLN . 5.1 m -86.07 169.48 13.11 Favored 'General case' 0 C--N 1.318 -0.769 0 CA-C-N 116.082 -0.508 . . . . 0.0 110.566 -178.189 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 59' ' ' VAL . . . . . 0.467 ' O ' HD23 ' A' ' 63' ' ' LEU . 38.5 t -58.64 -44.01 88.7 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.346 0 CA-C-O 120.948 0.404 . . . . 0.0 110.356 -179.288 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 60' ' ' GLU . . . . . 0.527 ' O ' ' HG3' ' A' ' 64' ' ' ARG . 42.6 mp0 -55.79 -53.83 51.89 Favored 'General case' 0 C--N 1.325 -0.487 0 CA-C-N 115.664 -0.698 . . . . 0.0 110.521 178.997 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 61' ' ' GLN . . . . . . . . . . . . . 95.4 mt-30 -66.17 -36.9 84.3 Favored 'General case' 0 C--N 1.323 -0.57 0 CA-C-N 115.588 -0.733 . . . . 0.0 110.843 -178.365 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . -62.21 -52.35 50.26 Favored Glycine 0 N--CA 1.445 -0.765 0 CA-C-N 115.693 -0.685 . . . . 0.0 112.342 179.962 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 63' ' ' LEU . . . . . 0.467 HD23 ' O ' ' A' ' 59' ' ' VAL . 4.3 mm? -58.09 -45.26 87.5 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-O 120.52 0.2 . . . . 0.0 111.501 -178.537 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 64' ' ' ARG . . . . . 0.527 ' HG3' ' O ' ' A' ' 60' ' ' GLU . 92.4 mtt180 -53.03 -53.77 45.24 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.408 -0.36 . . . . 0.0 110.688 -179.743 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 65' ' ' ARG . . . . . . . . . . . . . 63.2 ttt180 -71.33 -36.13 71.44 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 115.886 -0.597 . . . . 0.0 111.361 -178.571 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 6.9 tt -62.96 -46.27 88.5 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 115.952 -0.567 . . . . 0.0 111.169 -175.737 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 67' ' ' ILE . . . . . 0.491 HD13 HD12 ' A' ' 84' ' ' LEU . 19.8 mt -82.62 -65.96 0.79 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 C-N-CA 120.559 -0.456 . . . . 0.0 111.67 -173.37 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . -117.0 -49.44 0.42 Allowed Glycine 0 N--CA 1.45 -0.382 0 C-N-CA 120.768 -0.729 . . . . 0.0 113.474 -176.93 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . 104.79 -8.61 46.76 Favored Glycine 0 N--CA 1.449 -0.453 0 N-CA-C 110.368 -1.093 . . . . 0.0 110.368 -166.096 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 70' ' ' ASN . . . . . 0.483 ' OD1' ' HD2' ' A' ' 71' ' ' PRO . 55.9 t30 -100.5 136.36 19.97 Favored Pre-proline 0 C--N 1.328 -0.356 0 CA-C-N 114.866 -0.667 . . . . 0.0 109.764 -179.653 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 71' ' ' PRO . . . . . 0.483 ' HD2' ' OD1' ' A' ' 70' ' ' ASN . 52.1 Cg_exo -54.72 117.46 4.01 Favored 'Trans proline' 0 C--N 1.346 0.407 0 C-N-CA 122.514 2.143 . . . . 0.0 112.27 174.912 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 72' ' ' VAL . . . . . . . . . . . . . 2.9 p -150.17 162.16 3.98 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 N-CA-C 108.418 -0.956 . . . . 0.0 108.418 -176.061 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -103.27 123.3 46.5 Favored 'General case' 0 C--N 1.321 -0.632 0 CA-C-O 121.187 0.517 . . . . 0.0 111.072 -169.463 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 74' ' ' PHE . . . . . . . . . . . . . 23.8 p90 -133.69 119.34 19.22 Favored 'General case' 0 C--N 1.312 -1.028 0 CA-C-N 115.512 -0.767 . . . . 0.0 109.134 -179.49 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 75' ' ' ARG . . . . . . . . . . . . . 12.7 ptt180 -90.36 108.79 19.99 Favored 'General case' 0 C--N 1.322 -0.605 0 CA-C-O 121.365 0.602 . . . . 0.0 110.781 -177.074 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 76' ' ' LEU . . . . . . . . . . . . . 25.7 mt -80.27 98.42 7.39 Favored 'General case' 0 C--N 1.322 -0.588 0 CA-C-N 115.099 -0.955 . . . . 0.0 109.012 177.002 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 77' ' ' GLN . . . . . 0.448 ' HA ' ' HD3' ' A' ' 78' ' ' PRO . 46.3 mt-30 -84.69 129.45 56.98 Favored Pre-proline 0 C--N 1.318 -0.789 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.497 -175.992 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 78' ' ' PRO . . . . . 0.448 ' HD3' ' HA ' ' A' ' 77' ' ' GLN . 31.9 Cg_exo -59.58 -9.86 10.08 Favored 'Trans proline' 0 C--N 1.347 0.453 0 C-N-CA 123.235 2.623 . . . . 0.0 112.62 179.662 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 79' ' ' GLN . . . . . . . . . . . . . 76.9 mm-40 -80.01 -7.28 58.74 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.47 177.459 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . 97.42 25.71 10.72 Favored Glycine 0 N--CA 1.447 -0.568 0 C-N-CA 120.828 -0.701 . . . . 0.0 112.95 176.715 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 81' ' ' GLN . . . . . . . . . . . . . 1.1 mp0 -125.55 130.93 52.69 Favored 'General case' 0 C--N 1.325 -0.468 0 CA-C-N 117.162 0.481 . . . . 0.0 111.118 -179.826 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 82' ' ' ILE . . . . . . . . . . . . . 62.5 mt -106.65 118.44 54.37 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.39 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.169 176.931 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 83' ' ' VAL . . . . . . . . . . . . . 25.2 t -120.4 133.89 65.65 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.417 -0.356 . . . . 0.0 110.352 179.347 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 84' ' ' LEU . . . . . 0.578 HD23 ' N ' ' A' ' 85' ' ' SER . 2.3 tt -107.92 139.11 43.02 Favored 'General case' 0 C--N 1.327 -0.405 0 N-CA-C 109.621 -0.511 . . . . 0.0 109.621 -177.439 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 85' ' ' SER . . . . . 0.578 ' N ' HD23 ' A' ' 84' ' ' LEU . 39.7 m -142.47 155.06 45.03 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.881 0.372 . . . . 0.0 110.007 176.913 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 86' ' ' ARG . . . . . . . . . . . . . 30.6 ttt180 -87.22 96.38 10.31 Favored 'General case' 0 C--N 1.323 -0.562 0 CA-C-O 120.972 0.415 . . . . 0.0 110.867 -177.234 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 87' ' ' LEU . . . . . . . . . . . . . 3.8 mm? . . . . . 0 C--N 1.324 -0.516 0 CA-C-N 115.865 -0.607 . . . . 0.0 109.939 176.311 . . . . . . . . 0 0 . 1 . 020 nuclear build core ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 22.8 tp60 . . . . . 0 N--CA 1.454 -0.266 0 N-CA-C 109.742 -0.466 . . . . 0.0 109.742 . . . . . . . . . 0 0 . 1 . 020 nuclear build core ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 8.2 pt20 -139.4 152.26 46.94 Favored 'General case' 0 C--N 1.322 -0.61 0 CA-C-N 115.871 -0.604 . . . . 0.0 110.362 -178.438 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 31.7 mmmt -109.49 146.39 34.66 Favored 'General case' 0 C--N 1.322 -0.593 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.039 178.404 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 15' ' ' ASN . . . . . . . . . . . . . 58.0 t30 -89.44 105.07 17.55 Favored 'General case' 0 C--N 1.322 -0.609 0 CA-C-N 116.031 -0.531 . . . . 0.0 110.082 -179.655 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 16' ' ' PHE . . . . . . . . . . . . . 87.0 m-85 -99.47 109.5 22.05 Favored 'General case' 0 C--N 1.321 -0.663 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.829 -179.235 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 17' ' ' ASN . . . . . 0.534 ' HA ' ' O ' ' A' ' 53' ' ' LEU . 56.2 t30 -139.34 91.04 2.46 Favored 'General case' 0 C--N 1.319 -0.753 0 N-CA-C 108.962 -0.755 . . . . 0.0 108.962 172.796 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 18' ' ' ILE . . . . . . . . . . . . . 12.5 mt -124.98 114.19 39.26 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.744 0 CA-C-N 115.535 -0.757 . . . . 0.0 110.375 -173.027 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -61.9 148.53 43.21 Favored 'General case' 0 C--N 1.328 -0.354 0 N-CA-C 109.004 -0.739 . . . . 0.0 109.004 172.696 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -63.17 102.67 0.4 Allowed 'General case' 0 C--N 1.33 -0.255 0 CA-C-O 121.306 0.574 . . . . 0.0 111.411 -172.531 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 21' ' ' GLN . . . . . . . . . . . . . 76.0 mt-30 -107.37 167.93 8.71 Favored Pre-proline 0 C--N 1.32 -0.69 0 CA-C-N 115.218 -0.901 . . . . 0.0 109.942 173.663 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 22' ' ' PRO . . . . . . . . . . . . . 52.1 Cg_exo -57.15 141.6 94.37 Favored 'Trans proline' 0 N--CA 1.461 -0.395 0 C-N-CA 121.92 1.746 . . . . 0.0 109.978 166.373 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 23' ' ' LEU . . . . . 0.455 HD21 ' HA ' ' A' ' 67' ' ' ILE . 8.6 mt -58.33 -26.18 62.79 Favored 'General case' 0 C--N 1.326 -0.439 0 N-CA-C 113.605 0.965 . . . . 0.0 113.605 -168.923 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 22.2 mp0 -65.66 -54.33 29.05 Favored 'General case' 0 C--N 1.326 -0.452 0 CA-C-O 120.923 0.392 . . . . 0.0 110.017 175.462 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 25' ' ' SER . . . . . 0.669 ' O ' ' HG2' ' A' ' 29' ' ' ARG . 43.6 t -65.77 -35.8 81.74 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 115.946 -0.57 . . . . 0.0 110.62 179.117 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -53.57 -52.38 59.92 Favored 'General case' 0 C--O 1.232 0.179 0 CA-C-O 120.978 0.418 . . . . 0.0 111.642 -178.235 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 27' ' ' MET . . . . . 0.583 ' SD ' HG12 ' A' ' 38' ' ' VAL . 40.7 mtt -76.86 -31.66 56.97 Favored 'General case' 0 C--O 1.215 -0.734 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.241 -179.48 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 28' ' ' LEU . . . . . 0.415 ' C ' HD23 ' A' ' 28' ' ' LEU . 8.3 tt -56.71 -32.29 65.35 Favored 'General case' 0 C--N 1.322 -0.622 0 N-CA-C 109.667 -0.494 . . . . 0.0 109.667 175.455 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 29' ' ' ARG . . . . . 0.669 ' HG2' ' O ' ' A' ' 25' ' ' SER . 20.9 mmt180 -67.91 -60.24 2.66 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 116.432 -0.349 . . . . 0.0 110.886 176.405 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 20.6 t80 -74.27 -56.01 5.37 Favored 'General case' 0 C--N 1.325 -0.476 0 N-CA-C 112.115 0.413 . . . . 0.0 112.115 -176.674 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 31' ' ' ALA . . . . . 0.406 ' HB1' ' HB2' ' A' ' 36' ' ' MET . . . -59.24 -37.29 77.18 Favored 'General case' 0 C--N 1.322 -0.611 0 CA-C-N 115.815 -0.629 . . . . 0.0 112.458 -169.546 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 21.1 mt-10 -60.47 -33.81 73.12 Favored 'General case' 0 N--CA 1.466 0.355 0 C-N-CA 120.037 -0.665 . . . . 0.0 111.707 -178.528 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 33' ' ' GLN . . . . . . . . . . . . . 1.3 mp0 -81.49 -8.94 59.79 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 120.938 0.399 . . . . 0.0 110.918 177.666 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -108.15 8.0 27.83 Favored 'General case' 0 C--N 1.324 -0.528 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.878 179.052 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 76.47 30.15 57.02 Favored Glycine 0 N--CA 1.452 -0.237 0 C-N-CA 121.103 -0.57 . . . . 0.0 112.751 178.573 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 36' ' ' MET . . . . . 0.532 ' HA ' ' O ' ' A' ' 80' ' ' GLY . 74.4 mtm -134.26 174.16 10.82 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-O 120.799 0.333 . . . . 0.0 110.91 -179.162 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 37' ' ' GLN . . . . . . . . . . . . . 55.3 tt0 -160.26 163.07 33.74 Favored 'General case' 0 C--N 1.325 -0.49 0 N-CA-C 108.773 -0.825 . . . . 0.0 108.773 -179.572 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 38' ' ' VAL . . . . . 0.583 HG12 ' SD ' ' A' ' 27' ' ' MET . 34.4 m -75.14 147.54 8.28 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.436 0 CA-C-O 120.836 0.351 . . . . 0.0 111.091 -175.516 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 39' ' ' PHE . . . . . . . . . . . . . 65.1 t80 -142.24 121.54 13.1 Favored 'General case' 0 C--N 1.324 -0.52 0 CA-C-O 121.223 0.535 . . . . 0.0 110.929 175.336 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 40' ' ' PHE . . . . . . . . . . . . . 44.0 p90 -161.63 143.87 11.75 Favored 'General case' 0 C--N 1.321 -0.632 0 CA-C-N 115.307 -0.86 . . . . 0.0 109.165 175.212 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 26.0 t70 -123.36 -56.28 1.72 Allowed 'General case' 0 C--N 1.321 -0.66 0 CA-C-O 120.986 0.422 . . . . 0.0 109.985 179.563 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 43.9 mt-10 -128.38 89.15 2.86 Favored 'General case' 0 C--N 1.322 -0.603 0 CA-C-N 115.88 -0.6 . . . . 0.0 110.239 176.035 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 43' ' ' VAL . . . . . . . . . . . . . 27.0 m -130.7 -162.12 0.32 Allowed 'Isoleucine or valine' 0 C--N 1.321 -0.637 0 CA-C-N 115.598 -0.728 . . . . 0.0 109.67 -179.54 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 37.9 ttpt -50.56 142.2 11.19 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-O 120.868 0.366 . . . . 0.0 110.812 176.254 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 53.1 tp -48.29 131.83 16.46 Favored 'General case' 0 C--O 1.234 0.28 0 CA-C-N 115.403 -0.817 . . . . 0.0 111.369 179.907 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 17.0 t70 -56.29 149.63 16.06 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 115.647 -0.706 . . . . 0.0 110.809 179.058 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 120.24 13.64 5.78 Favored Glycine 0 N--CA 1.444 -0.811 0 N-CA-C 110.274 -1.13 . . . . 0.0 110.274 -169.162 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 48' ' ' MET . . . . . 0.454 ' HG3' ' HB2' ' A' ' 23' ' ' LEU . 16.9 ptt? -86.85 137.07 32.71 Favored 'General case' 0 N--CA 1.449 -0.496 0 CA-C-N 115.026 -0.587 . . . . 0.0 110.287 -177.902 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 26.7 pt20 -138.05 151.31 47.74 Favored 'General case' 0 C--N 1.32 -0.683 0 CA-C-N 116.112 -0.495 . . . . 0.0 110.507 -174.582 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -87.49 -176.5 5.62 Favored 'General case' 0 C--N 1.321 -0.649 0 CA-C-N 115.578 -0.737 . . . . 0.0 110.442 -178.757 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -111.44 168.36 9.6 Favored 'General case' 0 C--N 1.322 -0.616 0 N-CA-C 109.777 -0.453 . . . . 0.0 109.777 176.786 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -65.05 95.74 0.18 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 121.104 0.478 . . . . 0.0 110.099 176.954 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 53' ' ' LEU . . . . . 0.534 ' O ' ' HA ' ' A' ' 17' ' ' ASN . 57.2 tp -88.24 126.56 35.22 Favored 'General case' 0 C--N 1.32 -0.675 0 CA-C-N 115.573 -0.739 . . . . 0.0 111.194 -174.113 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 54' ' ' ASN . . . . . . . . . . . . . 22.5 t-20 -145.76 101.21 3.52 Favored 'General case' 0 C--N 1.323 -0.565 0 CA-C-N 116.217 -0.447 . . . . 0.0 109.825 176.44 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . -172.03 152.3 16.88 Favored Glycine 0 N--CA 1.447 -0.591 0 C-N-CA 120.405 -0.902 . . . . 0.0 112.757 -179.039 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 15.4 m -106.49 109.8 21.83 Favored 'General case' 0 C--N 1.322 -0.619 0 N-CA-C 109.369 -0.604 . . . . 0.0 109.369 177.362 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 57' ' ' MET . . . . . . . . . . . . . 11.1 ptt? -163.13 -178.58 6.1 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-N 116.63 -0.259 . . . . 0.0 111.271 -170.358 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 42.7 m -86.27 172.31 10.57 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-N 116.368 -0.378 . . . . 0.0 111.125 -179.452 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 59' ' ' VAL . . . . . . . . . . . . . 23.9 t -58.0 -47.17 87.36 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.282 0 CA-C-O 120.543 0.211 . . . . 0.0 110.908 -179.446 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 60' ' ' GLU . . . . . 0.565 ' O ' ' HG3' ' A' ' 64' ' ' ARG . 24.8 mt-10 -51.83 -55.74 18.16 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 115.966 -0.561 . . . . 0.0 111.179 178.843 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 61' ' ' GLN . . . . . . . . . . . . . 39.9 mt-30 -64.59 -43.2 94.58 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-N 115.879 -0.6 . . . . 0.0 110.923 -179.104 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 62' ' ' GLY . . . . . 0.435 ' O ' ' HB2' ' A' ' 66' ' ' LEU . . . -57.33 -53.57 43.79 Favored Glycine 0 N--CA 1.446 -0.646 0 CA-C-N 115.649 -0.705 . . . . 0.0 113.119 -176.408 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 63' ' ' LEU . . . . . 0.604 HD12 HD11 ' A' ' 67' ' ' ILE . 4.6 mm? -62.25 -27.26 68.88 Favored 'General case' 0 C--N 1.325 -0.467 0 N-CA-C 111.879 0.325 . . . . 0.0 111.879 -176.627 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 64' ' ' ARG . . . . . 0.565 ' HG3' ' O ' ' A' ' 60' ' ' GLU . 20.7 mtp180 -61.15 -60.03 4.4 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-O 120.686 0.279 . . . . 0.0 110.979 -178.942 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 65' ' ' ARG . . . . . . . . . . . . . 11.4 ttp180 -74.6 -23.51 58.74 Favored 'General case' 0 C--N 1.324 -0.524 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.777 -179.485 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 66' ' ' LEU . . . . . 0.435 ' HB2' ' O ' ' A' ' 62' ' ' GLY . 6.2 tt -66.76 -54.67 20.38 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 115.978 -0.555 . . . . 0.0 110.725 179.526 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 67' ' ' ILE . . . . . 0.604 HD11 HD12 ' A' ' 63' ' ' LEU . 67.2 mt -81.36 -65.28 0.84 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 N-CA-C 112.845 0.683 . . . . 0.0 112.845 -168.981 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . -114.98 -62.01 0.38 Allowed Glycine 0 N--CA 1.443 -0.856 0 C-N-CA 119.408 -1.377 . . . . 0.0 114.411 -171.131 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . 86.94 -22.3 15.16 Favored Glycine 0 N--CA 1.447 -0.574 0 N-CA-C 110.038 -1.225 . . . . 0.0 110.038 -165.286 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 70' ' ' ASN . . . . . . . . . . . . . 8.9 p30 -102.63 164.35 15.81 Favored Pre-proline 0 C--N 1.328 -0.351 0 N-CA-C 109.082 -0.711 . . . . 0.0 109.082 173.1 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 71' ' ' PRO . . . . . . . . . . . . . 50.4 Cg_exo -55.92 99.6 0.07 OUTLIER 'Trans proline' 0 C--N 1.348 0.53 0 C-N-CA 122.723 2.282 . . . . 0.0 113.487 -179.65 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 72' ' ' VAL . . . . . . . . . . . . . 21.4 t -135.91 159.59 39.28 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 N-CA-C 107.343 -1.355 . . . . 0.0 107.343 174.214 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -115.56 121.13 41.69 Favored 'General case' 0 C--N 1.319 -0.741 0 CA-C-N 118.221 0.464 . . . . 0.0 111.576 -179.479 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 74' ' ' PHE . . . . . . . . . . . . . 10.7 p90 -109.45 126.88 53.95 Favored 'General case' 0 C--N 1.328 -0.359 0 N-CA-C 109.422 -0.585 . . . . 0.0 109.422 172.984 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 75' ' ' ARG . . . . . . . . . . . . . 14.5 mmm180 -117.52 116.83 27.89 Favored 'General case' 0 C--N 1.318 -0.786 0 CA-C-N 116.068 -0.515 . . . . 0.0 110.14 -179.418 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 76' ' ' LEU . . . . . . . . . . . . . 35.1 mt -88.86 98.42 11.72 Favored 'General case' 0 C--N 1.319 -0.759 0 CA-C-N 115.613 -0.721 . . . . 0.0 109.235 -179.708 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 77' ' ' GLN . . . . . 0.461 ' HG2' ' H ' ' A' ' 81' ' ' GLN . 2.3 pt20 -80.61 139.54 51.07 Favored Pre-proline 0 C--N 1.32 -0.691 0 C-N-CA 120.88 -0.328 . . . . 0.0 110.195 -175.422 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 78' ' ' PRO . . . . . . . . . . . . . 52.4 Cg_exo -54.58 -20.6 21.69 Favored 'Trans proline' 0 C--N 1.348 0.522 0 C-N-CA 123.501 2.801 . . . . 0.0 113.547 -179.097 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 79' ' ' GLN . . . . . . . . . . . . . 27.6 mm-40 -80.23 0.92 30.5 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 120.881 0.372 . . . . 0.0 111.332 177.935 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 80' ' ' GLY . . . . . 0.532 ' O ' ' HA ' ' A' ' 36' ' ' MET . . . 87.95 44.2 5.47 Favored Glycine 0 N--CA 1.446 -0.677 0 C-N-CA 121.015 -0.612 . . . . 0.0 113.726 172.407 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 81' ' ' GLN . . . . . 0.461 ' H ' ' HG2' ' A' ' 77' ' ' GLN . 79.9 mt-30 -138.08 145.31 41.56 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-N 117.47 0.635 . . . . 0.0 110.573 176.215 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 82' ' ' ILE . . . . . . . . . . . . . 48.0 mt -99.15 104.89 16.6 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.568 0 CA-C-N 115.916 -0.584 . . . . 0.0 109.443 177.453 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 83' ' ' VAL . . . . . . . . . . . . . 21.6 t -93.35 131.42 40.39 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.513 0 CA-C-N 115.978 -0.556 . . . . 0.0 110.213 -177.891 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 84' ' ' LEU . . . . . . . . . . . . . 8.8 mp -111.91 146.44 37.77 Favored 'General case' 0 C--N 1.325 -0.493 0 CA-C-O 121.178 0.513 . . . . 0.0 111.573 -179.153 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 85' ' ' SER . . . . . . . . . . . . . 23.1 m -149.53 146.91 27.62 Favored 'General case' 0 C--N 1.323 -0.566 0 CA-C-N 115.372 -0.831 . . . . 0.0 109.439 175.813 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 86' ' ' ARG . . . . . . . . . . . . . 4.0 tmt_? -85.78 93.16 8.81 Favored 'General case' 0 C--N 1.324 -0.518 0 N-CA-C 109.222 -0.659 . . . . 0.0 109.222 -179.486 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 87' ' ' LEU . . . . . . . . . . . . . 62.4 mt . . . . . 0 C--N 1.321 -0.638 0 CA-C-N 115.76 -0.655 . . . . 0.0 109.665 -177.304 . . . . . . . . 0 0 . 1 . 001 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 7.6 p . . . . . 0 N--CA 1.477 0.89 0 CA-C-O 121.24 0.543 . . . . 0.0 111.043 . . . . . . . . . 0 0 . 1 . 001 nuclear build full ' A' A ' 7' ' ' MET . . . . . . . . . . . . . 91.4 mtp -135.2 85.17 2.15 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.105 -0.498 . . . . 0.0 109.913 -178.934 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -64.4 -25.73 68.15 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.185 -0.461 . . . . 0.0 112.155 -174.44 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 9' ' ' GLN . . . . . . . . . . . . . 49.3 mt-30 -87.77 -7.51 57.22 Favored 'General case' 0 C--N 1.325 -0.466 0 CA-C-O 120.874 0.369 . . . . 0.0 110.777 -178.009 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -116.74 0.64 12.63 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-O 121.292 0.568 . . . . 0.0 110.843 178.867 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -101.88 137.7 39.83 Favored 'General case' 0 C--N 1.322 -0.59 0 CA-C-N 115.715 -0.675 . . . . 0.0 110.666 -178.732 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 61.0 tt0 -81.29 126.91 32.14 Favored 'General case' 0 C--N 1.324 -0.517 0 CA-C-N 116.352 -0.386 . . . . 0.0 110.548 -179.359 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 77.2 mt-30 -81.43 118.0 22.33 Favored 'General case' 0 C--N 1.324 -0.527 0 CA-C-N 116.395 -0.366 . . . . 0.0 110.077 178.016 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 14' ' ' LYS . . . . . 0.457 ' O ' ' HA ' ' A' ' 56' ' ' SER . 14.1 mmmm -109.63 132.73 53.87 Favored 'General case' 0 C--N 1.321 -0.632 0 N-CA-C 109.498 -0.556 . . . . 0.0 109.498 177.166 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 15' ' ' ASN . . . . . 0.426 ' HA ' ' HA ' ' A' ' 56' ' ' SER . 26.4 t-20 -80.35 108.51 14.03 Favored 'General case' 0 C--N 1.319 -0.731 0 CA-C-O 121.061 0.458 . . . . 0.0 110.111 -179.615 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 16' ' ' PHE . . . . . . . . . . . . . 76.9 m-85 -99.7 146.5 26.45 Favored 'General case' 0 C--N 1.322 -0.591 0 CA-C-N 115.785 -0.643 . . . . 0.0 111.064 -177.939 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 8.1 t30 -135.28 89.07 2.47 Favored 'General case' 0 C--N 1.32 -0.716 0 N-CA-C 108.511 -0.922 . . . . 0.0 108.511 178.137 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 18' ' ' ILE . . . . . 0.56 ' HB ' ' HB3' ' A' ' 53' ' ' LEU . 31.2 mm -112.06 106.44 20.77 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.753 0 CA-C-N 115.938 -0.574 . . . . 0.0 109.96 -176.147 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -63.07 143.63 57.61 Favored 'General case' 0 C--N 1.325 -0.481 0 N-CA-C 108.791 -0.818 . . . . 0.0 108.791 173.12 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -66.38 100.08 0.61 Allowed 'General case' 0 N--CA 1.455 -0.22 0 CA-C-O 121.696 0.76 . . . . 0.0 110.443 -174.624 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 21' ' ' GLN . . . . . . . . . . . . . 44.2 mt-30 -107.7 170.11 5.94 Favored Pre-proline 0 C--N 1.318 -0.771 0 CA-C-N 114.579 -1.191 . . . . 0.0 109.981 176.349 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 22' ' ' PRO . . . . . . . . . . . . . 52.7 Cg_exo -56.98 135.71 72.42 Favored 'Trans proline' 0 N--CA 1.461 -0.388 0 C-N-CA 121.839 1.693 . . . . 0.0 109.44 166.006 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -55.59 -25.71 39.91 Favored 'General case' 0 N--CA 1.466 0.329 0 O-C-N 123.429 0.456 . . . . 0.0 112.039 -170.108 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 66.7 mt-30 -66.12 -52.54 47.6 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-O 121.02 0.438 . . . . 0.0 110.269 177.052 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 15.1 m -76.43 -27.29 56.17 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 115.989 -0.55 . . . . 0.0 110.742 -179.004 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -56.54 -55.06 38.58 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.01 -0.541 . . . . 0.0 110.941 178.461 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 27' ' ' MET . . . . . 0.45 ' CB ' ' HB ' ' A' ' 38' ' ' VAL . 23.5 mmt -75.6 -18.94 59.56 Favored 'General case' 0 C--N 1.325 -0.499 0 CA-C-N 115.986 -0.552 . . . . 0.0 110.796 -178.719 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 9.4 tt -65.16 -36.77 85.28 Favored 'General case' 0 C--N 1.318 -0.787 0 N-CA-C 109.276 -0.639 . . . . 0.0 109.276 173.674 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 12.4 mmm180 -85.42 -31.23 22.99 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.566 -179.569 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 12.2 t80 -80.64 -56.83 3.89 Favored 'General case' 0 C--N 1.322 -0.589 0 CA-C-O 121.378 0.608 . . . . 0.0 111.365 178.079 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -72.09 -17.22 62.01 Favored 'General case' 0 C--N 1.321 -0.639 0 CA-C-N 115.902 -0.59 . . . . 0.0 111.872 -170.158 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 10.0 pt-20 -59.95 -28.32 67.54 Favored 'General case' 0 N--CA 1.464 0.256 0 CA-C-O 121.052 0.453 . . . . 0.0 110.499 174.163 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 33' ' ' GLN . . . . . . . . . . . . . 94.9 mt-30 -90.19 -17.94 26.65 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 121.084 0.468 . . . . 0.0 110.514 178.288 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -97.93 -6.81 31.43 Favored 'General case' 0 C--N 1.326 -0.45 0 CA-C-N 115.797 -0.638 . . . . 0.0 111.775 -178.528 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 79.61 31.59 40.28 Favored Glycine 0 C--N 1.329 0.155 0 C-N-CA 121.07 -0.586 . . . . 0.0 112.674 178.215 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 36' ' ' MET . . . . . . . . . . . . . 70.9 mtm -141.82 175.68 9.52 Favored 'General case' 0 C--N 1.324 -0.508 0 CA-C-O 120.738 0.304 . . . . 0.0 110.332 -177.266 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 37' ' ' GLN . . . . . . . . . . . . . 26.2 tt0 -141.73 154.76 45.5 Favored 'General case' 0 C--N 1.323 -0.567 0 N-CA-C 108.893 -0.78 . . . . 0.0 108.893 171.305 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 38' ' ' VAL . . . . . 0.45 ' HB ' ' CB ' ' A' ' 27' ' ' MET . 7.7 p -78.46 132.18 32.9 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.434 0 CA-C-O 120.978 0.418 . . . . 0.0 110.777 179.973 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 39' ' ' PHE . . . . . 0.412 ' HB3' ' HA ' ' A' ' 83' ' ' VAL . 59.2 t80 -110.16 120.24 41.81 Favored 'General case' 0 C--N 1.325 -0.487 0 CA-C-N 115.934 -0.575 . . . . 0.0 109.74 179.264 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 40' ' ' PHE . . . . . . . . . . . . . 19.1 p90 -134.27 117.81 16.86 Favored 'General case' 0 C--N 1.32 -0.681 0 CA-C-N 115.81 -0.632 . . . . 0.0 110.202 -178.551 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 32.9 t70 -121.42 -61.23 1.55 Allowed 'General case' 0 C--N 1.323 -0.57 0 C-N-CA 120.839 -0.345 . . . . 0.0 110.666 179.767 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 50.9 mt-10 -116.22 86.78 2.55 Favored 'General case' 0 C--N 1.322 -0.609 0 CA-C-O 121.212 0.53 . . . . 0.0 110.127 177.421 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 43' ' ' VAL . . . . . . . . . . . . . 15.5 m -147.33 -166.8 0.16 Allowed 'Isoleucine or valine' 0 C--N 1.322 -0.63 0 CA-C-N 115.053 -0.976 . . . . 0.0 108.722 179.235 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 37.7 ttpt -67.24 133.33 49.52 Favored 'General case' 0 C--N 1.322 -0.616 0 CA-C-O 121.501 0.667 . . . . 0.0 110.097 174.705 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 3.3 mm? -71.37 167.47 19.47 Favored 'General case' 0 N--CA 1.442 -0.854 0 CA-C-N 114.796 -1.093 . . . . 0.0 111.065 -175.495 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 26.6 t70 -36.16 136.63 0.29 Allowed 'General case' 0 C--N 1.32 -0.709 0 CA-C-N 114.214 -1.357 . . . . 0.0 112.425 -177.663 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 123.33 -4.51 9.51 Favored Glycine 0 N--CA 1.444 -0.818 0 N-CA-C 110.753 -0.939 . . . . 0.0 110.753 -173.281 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 48' ' ' MET . . . . . . . . . . . . . 14.2 tpt -87.63 121.33 29.93 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-O 120.861 0.362 . . . . 0.0 110.366 178.395 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 76.9 mt-30 -112.58 155.36 24.5 Favored 'General case' 0 C--N 1.321 -0.664 0 CA-C-N 116.077 -0.51 . . . . 0.0 110.275 179.257 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -88.11 168.73 12.54 Favored 'General case' 0 C--N 1.321 -0.641 0 CA-C-N 116.034 -0.53 . . . . 0.0 109.975 178.438 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -79.49 156.83 27.64 Favored 'General case' 0 C--N 1.323 -0.568 0 CA-C-N 116.457 -0.338 . . . . 0.0 110.705 -179.854 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -69.52 89.42 0.52 Allowed 'General case' 0 C--N 1.328 -0.334 0 CA-C-O 121.282 0.563 . . . . 0.0 109.7 175.814 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 53' ' ' LEU . . . . . 0.56 ' HB3' ' HB ' ' A' ' 18' ' ' ILE . 1.0 OUTLIER -76.42 123.69 26.38 Favored 'General case' 0 C--N 1.32 -0.707 0 CA-C-N 115.181 -0.918 . . . . 0.0 110.993 -172.075 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 54' ' ' ASN . . . . . 0.407 HD22 ' HA ' ' A' ' 54' ' ' ASN . 0.9 OUTLIER -150.71 98.42 2.62 Favored 'General case' 0 C--N 1.324 -0.527 0 CA-C-N 115.858 -0.61 . . . . 0.0 109.881 172.668 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . 178.56 161.21 26.02 Favored Glycine 0 N--CA 1.448 -0.534 0 C-N-CA 120.434 -0.889 . . . . 0.0 112.618 -179.069 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 56' ' ' SER . . . . . 0.457 ' HA ' ' O ' ' A' ' 14' ' ' LYS . 38.8 m -94.07 100.81 12.86 Favored 'General case' 0 C--N 1.325 -0.489 0 CA-C-O 121.103 0.478 . . . . 0.0 110.194 176.762 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 57' ' ' MET . . . . . . . . . . . . . 54.6 mtm -134.07 170.9 14.96 Favored 'General case' 0 C--N 1.325 -0.476 0 CA-C-N 115.691 -0.686 . . . . 0.0 111.247 -177.042 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 15.0 m -102.0 -179.55 4.03 Favored 'General case' 0 C--N 1.322 -0.617 0 CA-C-N 115.644 -0.707 . . . . 0.0 109.127 173.291 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 59' ' ' VAL . . . . . 0.597 ' O ' HD23 ' A' ' 63' ' ' LEU . 12.1 p -54.99 -48.16 75.97 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.258 0 CA-C-O 120.777 0.322 . . . . 0.0 111.554 -177.043 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 60' ' ' GLU . . . . . 0.45 ' O ' ' HG3' ' A' ' 64' ' ' ARG . 44.5 mt-10 -62.97 -53.47 53.51 Favored 'General case' 0 C--N 1.316 -0.857 0 CA-C-O 120.835 0.35 . . . . 0.0 111.342 -179.551 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 61' ' ' GLN . . . . . . . . . . . . . 58.8 mt-30 -63.56 -50.2 70.42 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-N 116.051 -0.522 . . . . 0.0 111.576 -176.877 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . -57.23 -51.25 58.65 Favored Glycine 0 N--CA 1.449 -0.446 0 CA-C-N 115.975 -0.557 . . . . 0.0 112.856 -178.365 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 63' ' ' LEU . . . . . 0.597 HD23 ' O ' ' A' ' 59' ' ' VAL . 4.0 mm? -54.67 -43.55 72.53 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-O 120.564 0.221 . . . . 0.0 111.475 -178.725 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 64' ' ' ARG . . . . . 0.453 ' HA ' ' HA ' ' A' ' 111' ' ' ASN . 19.9 mtp180 -55.77 -46.85 77.82 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 115.979 -0.555 . . . . 0.0 111.731 -176.971 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 65' ' ' ARG . . . . . . . . . . . . . 76.5 ttt180 -80.8 -28.38 36.29 Favored 'General case' 0 C--N 1.324 -0.525 0 CA-C-O 121.129 0.49 . . . . 0.0 110.596 179.878 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 66' ' ' LEU . . . . . 0.469 HD13 ' HB2' ' A' ' 53' ' ' LEU . 18.1 tp -74.68 -45.64 43.17 Favored 'General case' 0 C--N 1.325 -0.457 0 CA-C-N 115.817 -0.628 . . . . 0.0 111.789 -174.434 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 67' ' ' ILE . . . . . 0.472 HD11 HD12 ' A' ' 63' ' ' LEU . 40.1 mt -78.83 -64.94 0.82 Allowed 'Isoleucine or valine' 0 C--N 1.333 -0.152 0 N-CA-C 112.313 0.486 . . . . 0.0 112.313 -175.128 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 68' ' ' GLY . . . . . 0.448 ' C ' ' H ' ' A' ' 70' ' ' ASN . . . -115.4 -62.29 0.37 Allowed Glycine 0 N--CA 1.444 -0.795 0 C-N-CA 119.421 -1.371 . . . . 0.0 114.548 -171.638 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . 82.91 -23.02 6.15 Favored Glycine 0 N--CA 1.45 -0.37 0 N-CA-C 109.836 -1.305 . . . . 0.0 109.836 -163.226 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 70' ' ' ASN . . . . . 0.448 ' H ' ' C ' ' A' ' 68' ' ' GLY . 2.6 p-10 -102.43 157.73 33.15 Favored Pre-proline 0 C--N 1.328 -0.369 0 C-N-CA 123.732 0.813 . . . . 0.0 109.2 171.57 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 71' ' ' PRO . . . . . . . . . . . . . 23.4 Cg_exo -64.35 98.15 0.27 Allowed 'Trans proline' 0 C--N 1.346 0.424 0 C-N-CA 122.814 2.343 . . . . 0.0 113.724 -174.038 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 72' ' ' VAL . . . . . . . . . . . . . 31.9 t -140.4 149.65 21.5 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 N-CA-C 106.928 -1.508 . . . . 0.0 106.928 171.251 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -104.86 130.69 52.94 Favored 'General case' 0 C--N 1.321 -0.637 0 CA-C-N 118.698 0.681 . . . . 0.0 111.98 -170.497 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 74' ' ' PHE . . . . . . . . . . . . . 11.7 p90 -113.92 126.17 54.86 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.159 -0.473 . . . . 0.0 109.993 176.528 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 75' ' ' ARG . . . . . . . . . . . . . 79.8 ttt180 -100.45 119.26 38.2 Favored 'General case' 0 C--N 1.322 -0.594 0 CA-C-N 116.311 -0.404 . . . . 0.0 110.239 178.615 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 76' ' ' LEU . . . . . . . . . . . . . 84.3 mt -87.78 118.78 27.53 Favored 'General case' 0 C--N 1.322 -0.601 0 CA-C-N 116.012 -0.54 . . . . 0.0 111.161 -177.885 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 77' ' ' GLN . . . . . . . . . . . . . 38.9 mt-30 -116.43 98.67 51.91 Favored Pre-proline 0 C--N 1.318 -0.777 0 N-CA-C 108.451 -0.944 . . . . 0.0 108.451 172.041 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 78' ' ' PRO . . . . . . . . . . . . . 54.5 Cg_exo -52.29 -33.26 54.69 Favored 'Trans proline' 0 C--N 1.345 0.367 0 C-N-CA 123.327 2.685 . . . . 0.0 113.376 -174.07 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 79' ' ' GLN . . . . . . . . . . . . . 45.2 mt-30 -106.2 12.9 29.6 Favored 'General case' 0 C--N 1.324 -0.526 0 CA-C-N 116.541 -0.3 . . . . 0.0 110.846 -177.713 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . -140.08 -110.57 0.88 Allowed Glycine 0 N--CA 1.442 -0.915 0 C-N-CA 120.288 -0.958 . . . . 0.0 113.076 -178.126 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 81' ' ' GLN . . . . . . . . . . . . . 48.7 mt-30 -138.9 158.63 43.85 Favored 'General case' 0 C--N 1.322 -0.627 0 CA-C-O 121.226 0.536 . . . . 0.0 111.463 -172.493 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 82' ' ' ILE . . . . . . . . . . . . . 54.8 mt -90.12 99.91 10.18 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.562 0 CA-C-N 115.432 -0.803 . . . . 0.0 109.174 175.992 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 83' ' ' VAL . . . . . 0.412 ' HA ' ' HB3' ' A' ' 39' ' ' PHE . 93.4 t -85.06 116.63 28.86 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.605 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.738 -176.855 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 84' ' ' LEU . . . . . . . . . . . . . 21.4 tp -89.6 130.02 35.97 Favored 'General case' 0 C--N 1.323 -0.55 0 N-CA-C 109.621 -0.511 . . . . 0.0 109.621 176.315 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 85' ' ' SER . . . . . . . . . . . . . 6.7 p -141.06 154.12 45.81 Favored 'General case' 0 C--N 1.321 -0.671 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.558 -177.879 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 86' ' ' ARG . . . . . . . . . . . . . 1.4 tmm_? -95.05 101.05 12.79 Favored 'General case' 0 C--N 1.324 -0.534 0 N-CA-C 109.287 -0.634 . . . . 0.0 109.287 179.872 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 87' ' ' LEU . . . . . . . . . . . . . 11.0 mp -106.98 162.89 18.24 Favored Pre-proline 0 C--N 1.318 -0.782 0 CA-C-N 115.891 -0.595 . . . . 0.0 109.474 175.532 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 88' ' ' PRO . . . . . . . . . . . . . 52.6 Cg_exo -56.16 139.7 86.08 Favored 'Trans proline' 0 C--O 1.235 0.341 0 C-N-CA 122.636 2.224 . . . . 0.0 112.684 -179.884 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 89' ' ' THR . . . . . . . . . . . . . 36.4 m -57.6 131.69 50.98 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 115.595 -0.729 . . . . 0.0 110.577 178.275 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 90' ' ' ALA . . . . . . . . . . . . . . . -64.11 109.52 1.86 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 115.995 -0.548 . . . . 0.0 111.251 -178.648 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 91' ' ' ASN . . . . . 0.416 ' CB ' ' HB3' ' A' ' 96' ' ' ALA . 71.5 m-20 -106.87 2.94 25.79 Favored 'General case' 0 C--N 1.325 -0.47 0 CA-C-N 115.763 -0.653 . . . . 0.0 109.868 177.657 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 92' ' ' GLY . . . . . 0.51 ' HA3' ' HA ' ' A' ' 100' ' ' ASP . . . -80.03 31.47 2.29 Favored Glycine 0 N--CA 1.452 -0.267 0 CA-C-N 115.716 -0.675 . . . . 0.0 113.644 -171.856 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 69.8 m-20 -93.48 20.27 7.45 Favored 'General case' 0 C--N 1.322 -0.605 0 CA-C-O 121.153 0.502 . . . . 0.0 110.297 176.825 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 94' ' ' GLY . . . . . . . . . . . . . . . 96.96 -12.91 65.52 Favored Glycine 0 N--CA 1.449 -0.497 0 CA-C-N 115.683 -0.689 . . . . 0.0 111.986 -177.511 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 95' ' ' GLY . . . . . . . . . . . . . . . -74.0 -33.68 56.91 Favored Glycine 0 N--CA 1.45 -0.422 0 C-N-CA 120.767 -0.73 . . . . 0.0 111.317 175.101 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 96' ' ' ALA . . . . . 0.416 ' HB3' ' CB ' ' A' ' 91' ' ' ASN . . . -148.98 162.9 38.98 Favored 'General case' 0 C--N 1.327 -0.408 0 N-CA-C 109.962 -0.384 . . . . 0.0 109.962 176.904 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 97' ' ' LEU . . . . . . . . . . . . . 91.0 mt -109.25 -169.9 1.56 Allowed 'General case' 0 C--N 1.323 -0.569 0 CA-C-N 116.256 -0.429 . . . . 0.0 109.982 178.939 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 98' ' ' ALA . . . . . . . . . . . . . . . 73.63 -53.91 0.69 Allowed 'General case' 0 N--CA 1.467 0.384 0 C-N-CA 123.629 0.772 . . . . 0.0 111.158 179.866 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 99' ' ' LEU . . . . . . . . . . . . . 4.1 mm? -78.31 0.84 23.84 Favored 'General case' 0 C--N 1.325 -0.498 0 CA-C-N 116.541 -0.299 . . . . 0.0 111.185 178.684 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 100' ' ' ASP . . . . . 0.51 ' HA ' ' HA3' ' A' ' 92' ' ' GLY . 5.6 p-10 -64.93 -30.62 71.62 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.831 -0.168 . . . . 0.0 110.926 178.808 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 12.1 p -67.6 -29.91 69.37 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-O 121.062 0.458 . . . . 0.0 110.886 177.993 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 102' ' ' LEU . . . . . . . . . . . . . 64.6 tp -86.45 -28.02 23.75 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 121.277 0.561 . . . . 0.0 110.093 177.515 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 103' ' ' THR . . . . . . . . . . . . . 44.6 m -65.82 -50.9 62.98 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-N 115.647 -0.706 . . . . 0.0 109.945 177.882 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 104' ' ' VAL . . . . . . . . . . . . . 4.9 p -111.99 88.62 1.15 Allowed 'Isoleucine or valine' 0 C--N 1.322 -0.62 0 CA-C-O 122.029 0.918 . . . . 0.0 109.258 172.759 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 105' ' ' LEU . . . . . . . . . . . . . 63.1 tp -109.87 -26.25 9.89 Favored 'General case' 0 C--N 1.323 -0.584 0 CA-C-N 115.21 -0.905 . . . . 0.0 110.44 -176.282 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 106' ' ' GLY . . . . . . . . . . . . . . . 120.19 -129.43 7.93 Favored Glycine 0 N--CA 1.442 -0.905 0 CA-C-N 115.637 -0.71 . . . . 0.0 111.473 -176.046 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 107' ' ' ALA . . . . . . . . . . . . . . . -86.36 117.97 25.49 Favored 'General case' 0 C--N 1.322 -0.6 0 CA-C-O 120.555 0.217 . . . . 0.0 110.686 179.405 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 108' ' ' GLY . . . . . . . . . . . . . . . 100.59 76.36 1.21 Allowed Glycine 0 N--CA 1.449 -0.473 0 C-N-CA 120.654 -0.784 . . . . 0.0 112.295 178.614 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 109' ' ' GLY . . . . . . . . . . . . . . . -124.83 -149.64 7.64 Favored Glycine 0 N--CA 1.447 -0.567 0 N-CA-C 111.522 -0.631 . . . . 0.0 111.522 179.067 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 110' ' ' ASN . . . . . . . . . . . . . 30.8 m-80 -70.96 137.94 49.57 Favored 'General case' 0 C--N 1.325 -0.491 0 CA-C-O 120.713 0.292 . . . . 0.0 110.686 176.736 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 111' ' ' ASN . . . . . 0.453 ' HA ' ' HA ' ' A' ' 64' ' ' ARG . 63.9 m-80 -75.24 63.03 1.31 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.913 178.305 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 112' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.249 1.03 0 CA-C-O 118.506 -0.759 . . . . 0.0 109.736 177.848 . . . . . . . . 0 0 . 1 . 002 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 12.0 m . . . . . 0 N--CA 1.478 0.936 0 CA-C-O 120.741 0.305 . . . . 0.0 110.768 . . . . . . . . . 0 0 . 1 . 002 nuclear build full ' A' A ' 7' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -62.07 -33.68 74.87 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.318 -0.401 . . . . 0.0 111.714 -175.183 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -78.13 -37.27 46.54 Favored 'General case' 0 C--N 1.326 -0.438 0 CA-C-O 121.028 0.442 . . . . 0.0 110.727 -178.296 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 9' ' ' GLN . . . . . . . . . . . . . 95.0 mt-30 -79.0 -18.95 52.75 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.984 -179.275 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -81.17 -14.97 57.07 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-O 120.975 0.417 . . . . 0.0 110.869 177.222 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -90.21 2.94 54.86 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-O 121.255 0.55 . . . . 0.0 110.77 -179.444 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 13.9 pt20 -130.4 138.93 50.6 Favored 'General case' 0 C--N 1.323 -0.578 0 CA-C-N 115.871 -0.604 . . . . 0.0 109.985 178.686 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 48.5 mt-30 -125.65 141.08 52.21 Favored 'General case' 0 C--N 1.319 -0.75 0 CA-C-N 116.353 -0.385 . . . . 0.0 110.646 -177.577 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 14' ' ' LYS . . . . . 0.459 ' HB2' ' CZ ' ' A' ' 16' ' ' PHE . 35.4 mmtp -123.3 159.21 29.28 Favored 'General case' 0 C--N 1.322 -0.622 0 CA-C-N 115.823 -0.626 . . . . 0.0 110.011 179.23 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 15' ' ' ASN . . . . . . . . . . . . . 48.6 t-20 -89.82 101.87 14.57 Favored 'General case' 0 C--N 1.321 -0.642 0 CA-C-N 115.975 -0.557 . . . . 0.0 109.729 -179.73 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 16' ' ' PHE . . . . . 0.459 ' CZ ' ' HB2' ' A' ' 14' ' ' LYS . 47.4 m-85 -99.54 131.27 45.65 Favored 'General case' 0 C--N 1.324 -0.527 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.471 -177.452 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 61.1 t30 -139.37 89.89 2.37 Favored 'General case' 0 C--N 1.32 -0.717 0 CA-C-N 115.988 -0.551 . . . . 0.0 109.598 178.348 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 18' ' ' ILE . . . . . 0.495 ' HB ' ' HB3' ' A' ' 53' ' ' LEU . 8.9 mm -112.71 122.4 66.81 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.657 0 CA-C-N 116.076 -0.511 . . . . 0.0 110.606 -174.321 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -79.39 146.44 32.83 Favored 'General case' 0 C--N 1.323 -0.553 0 N-CA-C 108.016 -1.105 . . . . 0.0 108.016 169.138 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -64.76 102.03 0.54 Allowed 'General case' 0 C--N 1.33 -0.242 0 CA-C-O 121.543 0.687 . . . . 0.0 110.91 -173.643 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 21' ' ' GLN . . . . . . . . . . . . . 35.2 mt-30 -106.84 169.87 6.33 Favored Pre-proline 0 C--N 1.319 -0.747 0 CA-C-N 114.635 -1.166 . . . . 0.0 109.729 176.412 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 22' ' ' PRO . . . . . . . . . . . . . 41.5 Cg_exo -57.26 136.52 76.83 Favored 'Trans proline' 0 N--CA 1.462 -0.366 0 C-N-CA 121.696 1.598 . . . . 0.0 110.001 168.202 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -51.89 -42.86 63.02 Favored 'General case' 0 C--N 1.328 -0.352 0 N-CA-C 112.598 0.592 . . . . 0.0 112.598 -167.248 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 24' ' ' GLN . . . . . 0.461 ' HA ' HG21 ' A' ' 38' ' ' VAL . 97.8 mt-30 -60.13 -42.16 94.19 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.934 0.397 . . . . 0.0 111.124 179.448 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 25' ' ' SER . . . . . 0.48 ' O ' ' HG2' ' A' ' 29' ' ' ARG . 38.0 t -79.47 -29.24 41.64 Favored 'General case' 0 C--N 1.325 -0.475 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.712 -178.704 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -60.29 -54.57 44.13 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.003 -179.412 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 27' ' ' MET . . . . . 0.584 ' HB2' ' CG2' ' A' ' 38' ' ' VAL . 63.3 mtt -67.31 -30.71 70.63 Favored 'General case' 0 C--O 1.215 -0.722 0 CA-C-N 116.071 -0.513 . . . . 0.0 110.475 179.335 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 53.7 tp -58.2 -30.45 66.47 Favored 'General case' 0 C--N 1.321 -0.641 0 CA-C-O 120.953 0.406 . . . . 0.0 110.486 178.053 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 29' ' ' ARG . . . . . 0.48 ' HG2' ' O ' ' A' ' 25' ' ' SER . 26.4 mmt180 -76.6 -51.56 11.38 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-O 120.914 0.388 . . . . 0.0 111.117 179.286 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 0.4 OUTLIER -80.08 -50.24 10.61 Favored 'General case' 0 C--N 1.326 -0.449 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.813 -176.275 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 31' ' ' ALA . . . . . 0.421 ' HB1' ' HB2' ' A' ' 36' ' ' MET . . . -67.56 -29.9 69.4 Favored 'General case' 0 C--N 1.322 -0.622 0 CA-C-N 116.2 -0.454 . . . . 0.0 111.778 -171.503 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 16.2 mm-40 -60.82 -29.42 69.47 Favored 'General case' 0 N--CA 1.466 0.344 0 C-N-CA 120.426 -0.51 . . . . 0.0 111.314 176.773 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 33' ' ' GLN . . . . . . . . . . . . . 99.2 mt-30 -70.31 -30.33 67.3 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-O 121.049 0.452 . . . . 0.0 110.344 176.187 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -94.57 -5.63 45.45 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 115.977 -0.556 . . . . 0.0 111.27 180.0 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 84.67 38.17 9.85 Favored Glycine 0 N--CA 1.45 -0.379 0 C-N-CA 121.126 -0.559 . . . . 0.0 112.864 178.766 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 36' ' ' MET . . . . . 0.421 ' HB2' ' HB1' ' A' ' 31' ' ' ALA . 73.9 mtm -136.74 163.56 30.32 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-N 116.966 0.383 . . . . 0.0 110.894 -179.986 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 37' ' ' GLN . . . . . . . . . . . . . 41.9 mt-30 -146.43 161.8 39.62 Favored 'General case' 0 C--N 1.326 -0.428 0 CA-C-N 116.06 -0.518 . . . . 0.0 110.655 179.566 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 38' ' ' VAL . . . . . 0.584 ' CG2' ' HB2' ' A' ' 27' ' ' MET . 17.7 t -77.55 134.42 28.52 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.424 0 CA-C-N 115.688 -0.687 . . . . 0.0 110.224 -179.026 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 39' ' ' PHE . . . . . . . . . . . . . 70.1 t80 -136.09 118.16 15.4 Favored 'General case' 0 C--N 1.323 -0.548 0 CA-C-O 120.932 0.396 . . . . 0.0 111.148 -178.788 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 40' ' ' PHE . . . . . . . . . . . . . 59.7 m-85 -130.15 146.3 51.78 Favored 'General case' 0 C--N 1.321 -0.658 0 CA-C-N 115.763 -0.653 . . . . 0.0 109.768 173.305 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 6.8 p-10 -93.49 -162.01 0.9 Allowed 'General case' 0 C--N 1.323 -0.584 0 N-CA-C 109.076 -0.712 . . . . 0.0 109.076 174.597 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 31.5 mm-40 -68.2 89.19 0.31 Allowed 'General case' 0 C--N 1.324 -0.52 0 CA-C-O 121.33 0.586 . . . . 0.0 111.21 -179.634 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 43' ' ' VAL . . . . . . . . . . . . . 36.0 m -128.44 161.38 37.23 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.528 0 CA-C-N 115.552 -0.749 . . . . 0.0 110.178 179.491 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 29.3 ttpp -98.36 89.59 4.51 Favored 'General case' 0 C--N 1.324 -0.532 0 CA-C-O 121.073 0.463 . . . . 0.0 110.208 -179.8 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 58.0 tp -144.56 114.28 7.23 Favored 'General case' 0 C--N 1.325 -0.493 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.297 -178.337 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 36.1 m-20 -130.44 151.9 50.42 Favored 'General case' 0 C--N 1.325 -0.466 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.314 -178.485 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 70.51 22.84 77.9 Favored Glycine 0 N--CA 1.452 -0.29 0 C-N-CA 120.972 -0.632 . . . . 0.0 113.319 174.085 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 48' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -85.25 123.05 30.3 Favored 'General case' 0 C--N 1.324 -0.543 0 CA-C-O 121.144 0.497 . . . . 0.0 110.546 179.756 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 20.6 pt20 -127.63 168.6 14.8 Favored 'General case' 0 C--N 1.325 -0.477 0 CA-C-N 116.011 -0.54 . . . . 0.0 110.219 -179.867 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -88.39 156.42 19.15 Favored 'General case' 0 C--N 1.321 -0.635 0 CA-C-N 116.015 -0.539 . . . . 0.0 110.807 -179.325 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -88.68 173.49 8.57 Favored 'General case' 0 C--N 1.323 -0.574 0 CA-C-N 115.829 -0.623 . . . . 0.0 110.604 179.637 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -65.92 120.67 13.51 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.945 179.621 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 53' ' ' LEU . . . . . 0.495 ' HB3' ' HB ' ' A' ' 18' ' ' ILE . 1.2 tm? -130.06 111.6 12.64 Favored 'General case' 0 C--N 1.326 -0.444 0 CA-C-N 116.317 -0.402 . . . . 0.0 110.626 -174.572 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 54' ' ' ASN . . . . . . . . . . . . . 27.6 t-20 -151.53 102.07 2.85 Favored 'General case' 0 C--N 1.324 -0.504 0 CA-C-N 116.11 -0.496 . . . . 0.0 109.895 174.204 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . 179.02 165.81 33.95 Favored Glycine 0 N--CA 1.449 -0.493 0 C-N-CA 120.626 -0.797 . . . . 0.0 112.45 -179.111 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 56' ' ' SER . . . . . 0.456 ' HA ' ' O ' ' A' ' 14' ' ' LYS . 10.1 p -107.13 116.91 32.75 Favored 'General case' 0 C--N 1.324 -0.523 0 CA-C-O 120.962 0.411 . . . . 0.0 110.043 176.729 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 57' ' ' MET . . . . . . . . . . . . . 11.0 ptt? -164.96 -173.12 2.81 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-N 116.058 -0.519 . . . . 0.0 110.866 -173.344 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 18.9 m -90.46 172.17 8.91 Favored 'General case' 0 C--N 1.325 -0.473 0 CA-C-N 116.636 -0.256 . . . . 0.0 111.25 -177.022 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 59' ' ' VAL . . . . . 0.477 ' O ' HD23 ' A' ' 63' ' ' LEU . 24.5 t -54.48 -50.47 57.98 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.265 0 CA-C-O 120.675 0.274 . . . . 0.0 110.602 178.96 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 60' ' ' GLU . . . . . 0.448 ' O ' ' HG3' ' A' ' 64' ' ' ARG . 53.0 mt-10 -52.99 -52.67 57.56 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-N 115.931 -0.577 . . . . 0.0 110.964 -179.725 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 61' ' ' GLN . . . . . 0.414 ' HA ' ' HD2' ' A' ' 64' ' ' ARG . 65.5 mt-30 -65.3 -37.05 85.96 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.32 -0.4 . . . . 0.0 111.276 -178.465 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . -62.33 -54.67 32.65 Favored Glycine 0 N--CA 1.446 -0.646 0 C-N-CA 121.199 -0.524 . . . . 0.0 112.43 -177.822 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 63' ' ' LEU . . . . . 0.495 HD12 HD11 ' A' ' 67' ' ' ILE . 3.9 mm? -64.14 -25.8 68.25 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-O 120.837 0.351 . . . . 0.0 110.825 -178.523 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 64' ' ' ARG . . . . . 0.81 ' HA ' ' OD1' ' A' ' 111' ' ' ASN . 78.2 mtt180 -62.62 -51.21 68.18 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 116.222 -0.445 . . . . 0.0 111.424 178.966 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 65' ' ' ARG . . . . . . . . . . . . . 71.2 mtp180 -80.29 -16.06 55.52 Favored 'General case' 0 C--N 1.323 -0.56 0 CA-C-N 116.229 -0.442 . . . . 0.0 111.436 -179.792 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 48.4 tp -89.95 -39.46 12.98 Favored 'General case' 0 C--N 1.323 -0.565 0 N-CA-C 112.659 0.614 . . . . 0.0 112.659 -172.111 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 67' ' ' ILE . . . . . 0.495 HD11 HD12 ' A' ' 63' ' ' LEU . 65.5 mt -88.69 -65.44 0.96 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 N-CA-C 113.17 0.804 . . . . 0.0 113.17 -170.524 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . -114.86 -62.15 0.39 Allowed Glycine 0 N--CA 1.447 -0.601 0 C-N-CA 119.519 -1.324 . . . . 0.0 114.691 -169.789 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . 85.6 -21.95 12.55 Favored Glycine 0 N--CA 1.451 -0.348 0 N-CA-C 110.388 -1.085 . . . . 0.0 110.388 -166.405 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 70' ' ' ASN . . . . . 0.42 ' HB2' ' HD2' ' A' ' 71' ' ' PRO . 7.2 p30 -102.66 158.23 32.17 Favored Pre-proline 0 C--N 1.327 -0.398 0 N-CA-C 108.769 -0.826 . . . . 0.0 108.769 170.612 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 71' ' ' PRO . . . . . 0.42 ' HD2' ' HB2' ' A' ' 70' ' ' ASN . 19.7 Cg_endo -58.44 99.29 0.1 Allowed 'Trans proline' 0 C--N 1.349 0.559 0 C-N-CA 122.843 2.362 . . . . 0.0 113.461 -177.607 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 72' ' ' VAL . . . . . 0.457 HG23 ' HG2' ' A' ' 86' ' ' ARG . 9.5 p -150.91 135.81 10.01 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 CA-C-N 115.46 -0.791 . . . . 0.0 109.274 174.775 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -97.76 136.11 38.57 Favored 'General case' 0 C--N 1.322 -0.602 0 CA-C-O 120.808 0.337 . . . . 0.0 111.782 -168.573 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 74' ' ' PHE . . . . . . . . . . . . . 10.0 p90 -107.72 119.55 39.75 Favored 'General case' 0 C--N 1.324 -0.508 0 CA-C-N 115.944 -0.571 . . . . 0.0 109.913 177.382 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 75' ' ' ARG . . . . . . . . . . . . . 79.9 mtm180 -101.7 110.38 22.36 Favored 'General case' 0 C--N 1.32 -0.705 0 CA-C-N 116.017 -0.538 . . . . 0.0 110.651 -178.185 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 76' ' ' LEU . . . . . . . . . . . . . 81.6 mt -85.34 100.37 11.77 Favored 'General case' 0 C--N 1.326 -0.449 0 CA-C-N 115.65 -0.705 . . . . 0.0 110.146 -179.503 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 77' ' ' GLN . . . . . . . . . . . . . 84.8 mm-40 -89.64 140.88 28.18 Favored Pre-proline 0 C--N 1.322 -0.607 0 CA-C-N 115.934 -0.575 . . . . 0.0 110.808 -177.518 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 78' ' ' PRO . . . . . . . . . . . . . 49.4 Cg_endo -68.65 -0.51 6.12 Favored 'Trans proline' 0 C--N 1.347 0.456 0 C-N-CA 123.162 2.575 . . . . 0.0 112.557 -178.389 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 79' ' ' GLN . . . . . . . . . . . . . 14.1 mm100 -81.62 -2.61 50.82 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.061 -0.518 . . . . 0.0 110.128 176.383 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . 85.08 36.88 10.51 Favored Glycine 0 N--CA 1.445 -0.705 0 N-CA-C 110.994 -0.842 . . . . 0.0 110.994 -175.175 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 81' ' ' GLN . . . . . . . . . . . . . 78.2 mt-30 -128.72 129.51 45.85 Favored 'General case' 0 C--N 1.325 -0.457 0 CA-C-O 120.677 0.275 . . . . 0.0 111.2 -175.364 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 82' ' ' ILE . . . . . . . . . . . . . 45.8 mt -102.23 99.55 8.62 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.579 0 N-CA-C 108.746 -0.835 . . . . 0.0 108.746 170.963 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 83' ' ' VAL . . . . . . . . . . . . . 41.0 t -99.24 120.61 48.83 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.592 0 CA-C-N 116.024 -0.535 . . . . 0.0 110.387 -176.435 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 84' ' ' LEU . . . . . . . . . . . . . 19.8 tp -89.82 146.35 24.51 Favored 'General case' 0 C--N 1.322 -0.61 0 CA-C-N 116.321 -0.4 . . . . 0.0 110.226 179.915 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 85' ' ' SER . . . . . . . . . . . . . 3.6 p -156.27 128.7 7.64 Favored 'General case' 0 C--N 1.322 -0.592 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.63 -179.571 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 86' ' ' ARG . . . . . 0.457 ' HG2' HG23 ' A' ' 72' ' ' VAL . 80.0 mtt-85 -82.53 77.44 9.3 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-O 121.159 0.504 . . . . 0.0 111.436 -178.153 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 87' ' ' LEU . . . . . . . . . . . . . 11.2 mp -73.85 136.49 76.91 Favored Pre-proline 0 C--N 1.323 -0.548 0 CA-C-N 115.636 -0.711 . . . . 0.0 109.783 174.168 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 88' ' ' PRO . . . . . . . . . . . . . 33.2 Cg_endo -64.79 148.41 90.04 Favored 'Trans proline' 0 C--O 1.234 0.276 0 C-N-CA 122.893 2.395 . . . . 0.0 112.237 179.567 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 89' ' ' THR . . . . . . . . . . . . . 24.6 m -58.57 106.78 0.43 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 115.968 -0.56 . . . . 0.0 110.695 178.299 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 90' ' ' ALA . . . . . . . . . . . . . . . -72.67 136.89 45.71 Favored 'General case' 0 C--N 1.325 -0.494 0 CA-C-N 116.119 -0.492 . . . . 0.0 110.857 -179.619 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 91' ' ' ASN . . . . . . . . . . . . . 43.1 t30 -130.2 -49.37 1.1 Allowed 'General case' 0 C--N 1.324 -0.52 0 CA-C-O 121.173 0.511 . . . . 0.0 110.27 178.145 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 92' ' ' GLY . . . . . . . . . . . . . . . -97.5 31.72 7.5 Favored Glycine 0 N--CA 1.449 -0.457 0 CA-C-N 115.794 -0.639 . . . . 0.0 112.585 -177.252 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 6.7 p-10 -69.43 -31.61 70.06 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-O 120.811 0.339 . . . . 0.0 110.759 -179.769 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 94' ' ' GLY . . . . . . . . . . . . . . . 94.88 -7.89 70.38 Favored Glycine 0 N--CA 1.451 -0.345 0 C-N-CA 120.908 -0.663 . . . . 0.0 113.311 174.823 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 95' ' ' GLY . . . . . . . . . . . . . . . 125.87 48.15 0.2 Allowed Glycine 0 N--CA 1.448 -0.543 0 C-N-CA 120.596 -0.812 . . . . 0.0 112.28 -179.292 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 96' ' ' ALA . . . . . . . . . . . . . . . -98.45 135.35 40.14 Favored 'General case' 0 C--N 1.322 -0.63 0 CA-C-O 120.673 0.273 . . . . 0.0 110.653 179.671 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 97' ' ' LEU . . . . . 0.517 HD23 ' H ' ' A' ' 97' ' ' LEU . 2.6 pt? -66.5 153.62 42.44 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 115.978 -0.555 . . . . 0.0 110.238 177.294 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 98' ' ' ALA . . . . . . . . . . . . . . . 74.8 -49.62 0.66 Allowed 'General case' 0 N--CA 1.468 0.466 0 C-N-CA 123.729 0.811 . . . . 0.0 110.547 -176.559 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 99' ' ' LEU . . . . . . . . . . . . . 3.5 mm? -64.72 -27.37 68.86 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 116.241 -0.436 . . . . 0.0 109.93 175.598 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 100' ' ' ASP . . . . . . . . . . . . . 3.2 p30 -59.47 -32.09 69.93 Favored 'General case' 0 C--O 1.233 0.216 0 CA-C-N 115.572 -0.74 . . . . 0.0 111.533 179.65 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 20.0 m -81.49 -21.29 38.79 Favored 'General case' 0 C--N 1.325 -0.461 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.865 -175.214 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 102' ' ' LEU . . . . . . . . . . . . . 94.3 mt -73.92 -25.28 59.9 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-O 121.088 0.47 . . . . 0.0 110.08 177.803 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 103' ' ' THR . . . . . . . . . . . . . 6.8 m -77.17 -31.51 55.54 Favored 'General case' 0 C--N 1.325 -0.476 0 CA-C-N 115.794 -0.639 . . . . 0.0 110.388 177.236 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 104' ' ' VAL . . . . . . . . . . . . . 40.7 t -91.96 89.47 2.92 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 CA-C-N 115.944 -0.571 . . . . 0.0 110.393 -177.922 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 105' ' ' LEU . . . . . 0.401 HD22 ' HA ' ' A' ' 105' ' ' LEU . 0.3 OUTLIER -102.85 -70.06 0.77 Allowed 'General case' 0 C--N 1.322 -0.59 0 N-CA-C 108.87 -0.789 . . . . 0.0 108.87 178.064 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 106' ' ' GLY . . . . . . . . . . . . . . . 65.73 -172.95 23.08 Favored Glycine 0 N--CA 1.451 -0.316 0 C-N-CA 121.053 -0.594 . . . . 0.0 112.971 177.206 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 107' ' ' ALA . . . . . . . . . . . . . . . -99.25 130.28 45.54 Favored 'General case' 0 C--N 1.321 -0.652 0 N-CA-C 110.123 -0.325 . . . . 0.0 110.123 178.148 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 108' ' ' GLY . . . . . . . . . . . . . . . 154.22 -94.18 0.14 Allowed Glycine 0 N--CA 1.445 -0.738 0 C-N-CA 120.804 -0.713 . . . . 0.0 111.852 -178.492 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 109' ' ' GLY . . . . . . . . . . . . . . . 178.75 101.69 0.15 Allowed Glycine 0 N--CA 1.447 -0.619 0 C-N-CA 120.751 -0.738 . . . . 0.0 112.425 178.989 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 110' ' ' ASN . . . . . 0.464 ' HA ' ' HB3' ' A' ' 64' ' ' ARG . 21.3 p-10 -161.2 147.5 14.56 Favored 'General case' 0 C--N 1.323 -0.566 0 CA-C-O 120.977 0.417 . . . . 0.0 110.532 175.024 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 111' ' ' ASN . . . . . 0.81 ' OD1' ' HA ' ' A' ' 64' ' ' ARG . 31.3 p-10 -95.2 -31.85 13.31 Favored 'General case' 0 C--N 1.323 -0.564 0 CA-C-N 115.748 -0.66 . . . . 0.0 109.505 175.872 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 112' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.25 1.109 0 CA-C-N 115.768 -0.651 . . . . 0.0 109.747 177.211 . . . . . . . . 0 0 . 1 . 003 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 19.5 m . . . . . 0 N--CA 1.477 0.884 0 CA-C-O 120.972 0.415 . . . . 0.0 110.717 . . . . . . . . . 0 0 . 1 . 003 nuclear build full ' A' A ' 7' ' ' MET . . . . . . . . . . . . . 21.9 ptp -123.88 8.81 8.75 Favored 'General case' 0 C--N 1.326 -0.443 0 CA-C-N 116.351 -0.386 . . . . 0.0 111.0 -178.896 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -71.46 -41.65 69.15 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-O 120.924 0.392 . . . . 0.0 110.666 -178.237 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 9' ' ' GLN . . . . . . . . . . . . . 12.5 pm0 -82.0 -15.5 53.49 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-N 116.076 -0.511 . . . . 0.0 110.193 179.968 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -77.6 -15.37 59.27 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 115.806 -0.634 . . . . 0.0 110.955 -177.982 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -69.03 131.35 44.9 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-N 116.112 -0.495 . . . . 0.0 110.054 177.349 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 52.1 tt0 -87.05 98.95 11.56 Favored 'General case' 0 C--N 1.32 -0.685 0 CA-C-N 116.346 -0.388 . . . . 0.0 110.065 -178.878 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 15.7 mm100 -113.82 99.17 7.49 Favored 'General case' 0 C--N 1.323 -0.544 0 CA-C-O 120.864 0.364 . . . . 0.0 110.2 179.393 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 14' ' ' LYS . . . . . 0.58 ' O ' ' HA ' ' A' ' 56' ' ' SER . 33.8 mmtp -110.47 147.15 34.67 Favored 'General case' 0 C--N 1.322 -0.619 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.612 -178.997 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 15' ' ' ASN . . . . . . . . . . . . . 52.6 t30 -84.33 109.64 17.98 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-N 115.819 -0.628 . . . . 0.0 110.052 -178.377 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 16' ' ' PHE . . . . . 0.553 ' O ' ' HA ' ' A' ' 54' ' ' ASN . 23.9 m-85 -99.73 130.14 45.92 Favored 'General case' 0 C--N 1.32 -0.699 0 CA-C-N 116.405 -0.361 . . . . 0.0 110.248 -178.249 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 13.5 m120 -124.26 89.93 3.17 Favored 'General case' 0 C--N 1.324 -0.537 0 N-CA-C 109.228 -0.656 . . . . 0.0 109.228 -179.928 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 18' ' ' ILE . . . . . 0.484 HG21 HD11 ' A' ' 66' ' ' LEU . 12.2 mm -118.58 113.36 41.56 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.6 0 CA-C-N 116.321 -0.399 . . . . 0.0 111.188 -174.634 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -78.31 161.77 26.98 Favored 'General case' 0 C--N 1.324 -0.528 0 N-CA-C 108.765 -0.828 . . . . 0.0 108.765 170.407 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -68.12 101.66 1.19 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 121.48 0.657 . . . . 0.0 110.465 -177.253 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 21' ' ' GLN . . . . . . . . . . . . . 71.2 mt-30 -106.92 172.51 3.79 Favored Pre-proline 0 C--N 1.32 -0.708 0 CA-C-N 114.851 -1.068 . . . . 0.0 110.092 176.237 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 22' ' ' PRO . . . . . . . . . . . . . 22.6 Cg_exo -66.17 143.71 72.36 Favored 'Trans proline' 0 N--CA 1.459 -0.516 0 C-N-CA 121.83 1.686 . . . . 0.0 109.808 164.459 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -49.19 -45.32 44.05 Favored 'General case' 0 C--N 1.327 -0.406 0 N-CA-C 112.657 0.614 . . . . 0.0 112.657 -169.708 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 1.1 tm0? -60.36 -48.45 81.7 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-O 120.737 0.303 . . . . 0.0 110.53 -178.38 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 37.7 t -66.78 -33.58 75.93 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.761 178.953 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -54.96 -58.81 6.13 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 121.065 0.46 . . . . 0.0 111.386 -177.539 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 27' ' ' MET . . . . . 0.575 ' HB2' ' CG2' ' A' ' 38' ' ' VAL . 52.1 mtt -72.8 -25.14 61.04 Favored 'General case' 0 C--N 1.324 -0.504 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.214 179.835 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 28' ' ' LEU . . . . . 0.62 ' O ' ' HB3' ' A' ' 32' ' ' GLU . 41.5 tp -64.37 -29.03 70.11 Favored 'General case' 0 C--N 1.321 -0.64 0 N-CA-C 110.072 -0.344 . . . . 0.0 110.072 177.585 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 29' ' ' ARG . . . . . 0.488 ' HD3' ' OE2' ' A' ' 32' ' ' GLU . 14.6 mmt180 -90.68 -39.37 12.49 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.284 -0.416 . . . . 0.0 111.499 178.744 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 30' ' ' PHE . . . . . 0.451 ' HE1' ' CE1' ' A' ' 16' ' ' PHE . 7.2 t80 -69.28 -51.54 36.34 Favored 'General case' 0 C--N 1.322 -0.613 0 CA-C-O 121.452 0.644 . . . . 0.0 110.958 177.475 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 31' ' ' ALA . . . . . 0.43 ' HB1' ' HB2' ' A' ' 36' ' ' MET . . . -82.98 -16.98 45.1 Favored 'General case' 0 C--N 1.318 -0.792 0 CA-C-N 115.593 -0.731 . . . . 0.0 112.056 -170.623 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 32' ' ' GLU . . . . . 0.62 ' HB3' ' O ' ' A' ' 28' ' ' LEU . 11.0 pt-20 -58.91 -33.41 70.53 Favored 'General case' 0 N--CA 1.467 0.4 0 C-N-CA 120.447 -0.501 . . . . 0.0 110.51 176.971 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 33' ' ' GLN . . . . . 0.443 ' HG3' ' HG3' ' A' ' 32' ' ' GLU . 90.1 mt-30 -90.29 -24.87 20.78 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.832 -179.707 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -82.21 -27.65 32.42 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.301 -0.409 . . . . 0.0 111.474 179.384 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 101.49 36.85 3.67 Favored Glycine 0 N--CA 1.45 -0.395 0 C-N-CA 121.155 -0.545 . . . . 0.0 112.587 179.716 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 36' ' ' MET . . . . . 0.43 ' HB2' ' HB1' ' A' ' 31' ' ' ALA . 70.2 mtm -142.4 174.91 10.2 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-O 120.594 0.235 . . . . 0.0 110.666 -178.93 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 37' ' ' GLN . . . . . . . . . . . . . 58.4 tt0 -155.88 162.21 40.46 Favored 'General case' 0 C--N 1.329 -0.309 0 N-CA-C 109.325 -0.62 . . . . 0.0 109.325 178.312 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 38' ' ' VAL . . . . . 0.575 ' CG2' ' HB2' ' A' ' 27' ' ' MET . 11.0 t -76.26 116.34 19.19 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-O 120.714 0.292 . . . . 0.0 110.985 -174.658 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 39' ' ' PHE . . . . . . . . . . . . . 81.0 t80 -104.03 98.66 8.45 Favored 'General case' 0 C--N 1.324 -0.53 0 N-CA-C 108.624 -0.88 . . . . 0.0 108.624 173.577 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 40' ' ' PHE . . . . . . . . . . . . . 13.9 p90 -125.79 140.84 52.34 Favored 'General case' 0 C--N 1.32 -0.683 0 CA-C-N 116.007 -0.542 . . . . 0.0 111.18 -171.726 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 21.2 m-20 -114.98 -85.72 0.61 Allowed 'General case' 0 C--N 1.323 -0.586 0 CA-C-N 115.589 -0.732 . . . . 0.0 110.163 178.194 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 77.5 mm-40 -101.8 89.95 3.84 Favored 'General case' 0 C--N 1.323 -0.57 0 CA-C-O 121.084 0.469 . . . . 0.0 110.632 178.004 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 43' ' ' VAL . . . . . . . . . . . . . 30.2 m -132.84 -176.35 1.7 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.513 0 CA-C-N 115.736 -0.665 . . . . 0.0 110.103 179.218 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 44' ' ' LYS . . . . . 0.402 ' HB2' ' HE3' ' A' ' 44' ' ' LYS . 34.4 ttmt -73.11 148.1 44.28 Favored 'General case' 0 C--N 1.321 -0.633 0 CA-C-O 121.099 0.476 . . . . 0.0 110.03 177.203 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 45' ' ' LEU . . . . . 0.569 HD22 ' H ' ' A' ' 45' ' ' LEU . 2.7 mm? -60.46 138.13 58.05 Favored 'General case' 0 C--N 1.325 -0.458 0 CA-C-N 115.3 -0.864 . . . . 0.0 110.558 -178.181 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 24.3 t70 -55.88 145.94 23.35 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-N 115.615 -0.721 . . . . 0.0 110.587 179.195 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 123.64 -17.04 7.84 Favored Glycine 0 N--CA 1.444 -0.827 0 N-CA-C 109.736 -1.346 . . . . 0.0 109.736 -168.138 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 48' ' ' MET . . . . . . . . . . . . . 12.9 tpt -56.71 122.03 11.16 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 114.622 -0.789 . . . . 0.0 109.724 170.857 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 79.6 mt-30 -67.7 131.46 45.62 Favored 'General case' 0 C--N 1.323 -0.56 0 CA-C-N 116.283 -0.417 . . . . 0.0 111.294 -178.197 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -82.96 143.89 30.36 Favored 'General case' 0 C--N 1.317 -0.814 0 N-CA-C 109.119 -0.697 . . . . 0.0 109.119 171.855 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -69.43 144.15 53.4 Favored 'General case' 0 C--N 1.322 -0.628 0 CA-C-N 116.402 -0.363 . . . . 0.0 110.499 -179.081 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -66.8 89.96 0.17 Allowed 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.613 178.755 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 50.0 tp -95.12 118.4 31.86 Favored 'General case' 0 C--N 1.323 -0.555 0 CA-C-N 115.573 -0.74 . . . . 0.0 110.817 -176.844 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 54' ' ' ASN . . . . . 0.553 ' HA ' ' O ' ' A' ' 16' ' ' PHE . 6.6 t30 -143.56 98.9 3.33 Favored 'General case' 0 C--N 1.322 -0.622 0 CA-C-N 115.964 -0.562 . . . . 0.0 109.617 176.452 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . 177.98 168.32 37.31 Favored Glycine 0 N--CA 1.447 -0.599 0 C-N-CA 120.846 -0.693 . . . . 0.0 112.054 -179.754 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 56' ' ' SER . . . . . 0.58 ' HA ' ' O ' ' A' ' 14' ' ' LYS . 44.2 m -101.12 112.89 25.48 Favored 'General case' 0 C--N 1.324 -0.543 0 CA-C-O 120.78 0.324 . . . . 0.0 110.559 177.928 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 57' ' ' MET . . . . . . . . . . . . . 21.8 ptp -154.82 -174.51 5.01 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.076 -0.511 . . . . 0.0 110.445 -178.926 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 58' ' ' SER . . . . . 0.511 ' HB2' ' OE1' ' A' ' 61' ' ' GLN . 16.4 m -87.79 176.67 7.28 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 116.703 -0.226 . . . . 0.0 111.493 -179.06 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 59' ' ' VAL . . . . . . . . . . . . . 46.8 t -64.37 -44.93 97.22 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 N-CA-C 110.195 -0.298 . . . . 0.0 110.195 -179.927 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 60' ' ' GLU . . . . . 0.454 ' O ' ' HG3' ' A' ' 64' ' ' ARG . 59.2 mm-40 -52.12 -62.75 1.44 Allowed 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 115.942 -0.572 . . . . 0.0 110.934 178.299 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 61' ' ' GLN . . . . . 0.511 ' OE1' ' HB2' ' A' ' 58' ' ' SER . 22.7 mp0 -55.76 -43.17 76.44 Favored 'General case' 0 C--O 1.234 0.286 0 CA-C-N 115.799 -0.637 . . . . 0.0 111.152 -178.623 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . -58.12 -58.31 15.24 Favored Glycine 0 N--CA 1.445 -0.745 0 C-N-CA 121.053 -0.594 . . . . 0.0 112.143 -179.197 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 63' ' ' LEU . . . . . 0.511 ' O ' HG13 ' A' ' 67' ' ' ILE . 4.5 mm? -57.85 -45.7 85.87 Favored 'General case' 0 C--N 1.327 -0.388 0 C-N-CA 122.329 0.252 . . . . 0.0 111.642 -176.509 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 64' ' ' ARG . . . . . 0.454 ' HG3' ' O ' ' A' ' 60' ' ' GLU . 94.8 mtt180 -52.28 -52.57 52.0 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-O 120.796 0.331 . . . . 0.0 111.346 -179.678 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 65' ' ' ARG . . . . . . . . . . . . . 89.4 mtt180 -79.67 -29.73 40.95 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 115.98 -0.555 . . . . 0.0 111.253 -175.518 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 66' ' ' LEU . . . . . 0.484 HD11 HG21 ' A' ' 18' ' ' ILE . 45.7 tp -69.61 -48.09 61.22 Favored 'General case' 0 C--N 1.323 -0.546 0 CA-C-N 115.633 -0.712 . . . . 0.0 112.067 -174.806 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 67' ' ' ILE . . . . . 0.511 HG13 ' O ' ' A' ' 63' ' ' LEU . 11.6 mt -75.7 -66.06 0.64 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.436 0 C-N-CA 120.429 -0.509 . . . . 0.0 110.884 -173.352 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . -116.83 -50.9 0.39 Allowed Glycine 0 N--CA 1.45 -0.403 0 C-N-CA 120.9 -0.667 . . . . 0.0 113.196 -178.634 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . 104.48 -0.7 43.01 Favored Glycine 0 N--CA 1.447 -0.627 0 N-CA-C 110.644 -0.982 . . . . 0.0 110.644 -167.02 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 70' ' ' ASN . . . . . . . . . . . . . 83.2 m-20 -100.88 159.34 29.8 Favored Pre-proline 0 C--N 1.328 -0.353 0 CA-C-N 115.361 -0.419 . . . . 0.0 109.895 177.601 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 71' ' ' PRO . . . . . . . . . . . . . 24.9 Cg_exo -64.97 124.2 12.73 Favored 'Trans proline' 0 C--N 1.345 0.366 0 C-N-CA 122.58 2.187 . . . . 0.0 111.13 171.884 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 72' ' ' VAL . . . . . 0.441 HG23 ' O ' ' A' ' 109' ' ' GLY . 1.0 OUTLIER -150.75 162.56 3.34 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.524 0 N-CA-C 109.425 -0.583 . . . . 0.0 109.425 -176.152 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -108.41 118.32 36.47 Favored 'General case' 0 N--CA 1.444 -0.761 0 C-N-CA 120.645 -0.422 . . . . 0.0 109.869 -177.897 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 74' ' ' PHE . . . . . 0.411 ' HB3' ' HG ' ' A' ' 84' ' ' LEU . 38.6 p90 -133.24 118.69 18.89 Favored 'General case' 0 C--N 1.317 -0.835 0 CA-C-O 121.494 0.664 . . . . 0.0 109.628 179.732 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 75' ' ' ARG . . . . . . . . . . . . . 75.0 ttt180 -97.09 115.55 27.7 Favored 'General case' 0 C--N 1.319 -0.748 0 CA-C-N 115.625 -0.716 . . . . 0.0 110.35 -175.622 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 76' ' ' LEU . . . . . . . . . . . . . 2.5 mm? -82.87 99.83 9.98 Favored 'General case' 0 C--N 1.324 -0.533 0 N-CA-C 109.048 -0.723 . . . . 0.0 109.048 177.945 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 77' ' ' GLN . . . . . 0.435 ' HA ' ' HD3' ' A' ' 78' ' ' PRO . 0.0 OUTLIER -88.18 132.36 39.84 Favored Pre-proline 0 N--CA 1.443 -0.809 0 CA-C-N 116.348 -0.387 . . . . 0.0 110.178 -177.623 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 78' ' ' PRO . . . . . 0.435 ' HD3' ' HA ' ' A' ' 77' ' ' GLN . 50.8 Cg_exo -56.51 -17.32 21.48 Favored 'Trans proline' 0 C--N 1.353 0.767 0 C-N-CA 123.754 2.969 . . . . 0.0 114.373 -173.71 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 79' ' ' GLN . . . . . . . . . . . . . 42.7 mt-30 -82.77 15.53 2.62 Favored 'General case' 0 C--N 1.325 -0.457 0 CA-C-O 120.978 0.418 . . . . 0.0 110.945 178.386 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . 78.02 39.69 23.09 Favored Glycine 0 N--CA 1.446 -0.654 0 C-N-CA 121.037 -0.601 . . . . 0.0 112.578 176.227 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 81' ' ' GLN . . . . . . . . . . . . . 78.1 mt-30 -131.74 119.12 20.88 Favored 'General case' 0 C--N 1.324 -0.522 0 CA-C-O 120.716 0.293 . . . . 0.0 110.994 -177.938 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 82' ' ' ILE . . . . . . . . . . . . . 56.9 mt -89.47 101.97 12.63 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 N-CA-C 109.503 -0.554 . . . . 0.0 109.503 175.501 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 83' ' ' VAL . . . . . . . . . . . . . 28.8 t -94.2 100.74 11.65 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.407 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.226 -177.988 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 84' ' ' LEU . . . . . 0.622 HD23 ' N ' ' A' ' 85' ' ' SER . 3.9 tt -94.72 136.83 34.57 Favored 'General case' 0 C--N 1.323 -0.56 0 N-CA-C 109.723 -0.473 . . . . 0.0 109.723 -178.567 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 85' ' ' SER . . . . . 0.622 ' N ' HD23 ' A' ' 84' ' ' LEU . 21.4 m -141.27 144.25 34.55 Favored 'General case' 0 N--CA 1.451 -0.381 0 CA-C-N 116.306 -0.407 . . . . 0.0 109.948 179.981 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 86' ' ' ARG . . . . . . . . . . . . . 64.6 ttt-85 -87.37 94.53 9.71 Favored 'General case' 0 C--N 1.323 -0.57 0 CA-C-O 120.949 0.404 . . . . 0.0 110.822 -178.898 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 87' ' ' LEU . . . . . 0.414 HD13 ' HA ' ' A' ' 87' ' ' LEU . 3.9 mm? -109.37 101.7 46.63 Favored Pre-proline 0 C--N 1.323 -0.573 0 CA-C-N 116.431 -0.349 . . . . 0.0 110.661 177.667 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 88' ' ' PRO . . . . . . . . . . . . . 57.1 Cg_endo -72.38 163.46 38.56 Favored 'Trans proline' 0 C--O 1.236 0.399 0 C-N-CA 122.63 2.22 . . . . 0.0 112.241 177.703 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 89' ' ' THR . . . . . . . . . . . . . 21.6 m -101.46 95.69 6.65 Favored 'General case' 0 C--N 1.325 -0.46 0 CA-C-N 116.242 -0.435 . . . . 0.0 111.396 -176.842 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 90' ' ' ALA . . . . . . . . . . . . . . . -79.94 108.91 13.89 Favored 'General case' 0 C--N 1.321 -0.665 0 N-CA-C 110.033 -0.358 . . . . 0.0 110.033 175.56 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 91' ' ' ASN . . . . . . . . . . . . . 2.9 p-10 -82.46 -17.59 44.71 Favored 'General case' 0 C--N 1.326 -0.438 0 CA-C-O 121.278 0.561 . . . . 0.0 110.012 178.86 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 92' ' ' GLY . . . . . . . . . . . . . . . -92.66 31.61 6.05 Favored Glycine 0 N--CA 1.447 -0.615 0 CA-C-N 115.584 -0.735 . . . . 0.0 111.633 175.714 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 93' ' ' ASP . . . . . 0.495 ' HB2' ' HB3' ' A' ' 96' ' ' ALA . 5.0 p-10 -58.51 -36.57 74.03 Favored 'General case' 0 C--N 1.333 -0.146 0 CA-C-O 120.85 0.357 . . . . 0.0 111.4 -177.096 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 94' ' ' GLY . . . . . . . . . . . . . . . 74.94 10.11 83.81 Favored Glycine 0 N--CA 1.45 -0.414 0 C-N-CA 121.242 -0.504 . . . . 0.0 113.643 173.202 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 95' ' ' GLY . . . . . . . . . . . . . . . 135.74 49.19 0.08 OUTLIER Glycine 0 N--CA 1.449 -0.462 0 C-N-CA 120.344 -0.931 . . . . 0.0 112.407 -179.1 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 96' ' ' ALA . . . . . 0.495 ' HB3' ' HB2' ' A' ' 93' ' ' ASP . . . -126.46 98.33 5.38 Favored 'General case' 0 C--N 1.32 -0.675 0 N-CA-C 109.689 -0.486 . . . . 0.0 109.689 176.295 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 97' ' ' LEU . . . . . . . . . . . . . 90.0 mt -74.42 -32.18 62.57 Favored 'General case' 0 C--N 1.325 -0.466 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.975 -173.098 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 98' ' ' ALA . . . . . . . . . . . . . . . -80.19 -23.84 40.7 Favored 'General case' 0 C--N 1.323 -0.546 0 CA-C-O 120.966 0.413 . . . . 0.0 110.493 178.312 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 99' ' ' LEU . . . . . . . . . . . . . 55.7 tp -82.54 -29.5 30.35 Favored 'General case' 0 C--N 1.325 -0.469 0 CA-C-N 116.024 -0.534 . . . . 0.0 110.096 176.709 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 100' ' ' ASP . . . . . . . . . . . . . 9.5 t70 -58.55 -29.05 66.06 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 115.515 -0.766 . . . . 0.0 110.904 177.344 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 4.4 m -62.94 -12.8 27.88 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-N 115.771 -0.65 . . . . 0.0 111.563 -179.223 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 102' ' ' LEU . . . . . . . . . . . . . 4.4 mm? -83.75 1.91 40.48 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.577 -0.283 . . . . 0.0 111.686 -177.682 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 103' ' ' THR . . . . . . . . . . . . . 13.6 t -79.84 -1.97 41.35 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 121.123 0.487 . . . . 0.0 110.282 177.295 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 104' ' ' VAL . . . . . . . . . . . . . 13.6 p -64.49 145.59 13.76 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.348 0 CA-C-N 115.57 -0.741 . . . . 0.0 109.762 174.689 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 105' ' ' LEU . . . . . 0.442 HD21 ' CZ ' ' A' ' 64' ' ' ARG . 83.5 mt 74.08 -40.74 0.46 Allowed 'General case' 0 N--CA 1.47 0.571 0 C-N-CA 123.278 0.631 . . . . 0.0 111.931 -179.842 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 106' ' ' GLY . . . . . . . . . . . . . . . 146.83 -130.45 3.63 Favored Glycine 0 N--CA 1.445 -0.719 0 N-CA-C 111.524 -0.63 . . . . 0.0 111.524 179.878 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 107' ' ' ALA . . . . . . . . . . . . . . . -89.86 109.71 20.69 Favored 'General case' 0 C--N 1.324 -0.539 0 CA-C-O 120.65 0.262 . . . . 0.0 110.455 177.823 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 108' ' ' GLY . . . . . . . . . . . . . . . -54.59 129.0 43.63 Favored Glycine 0 N--CA 1.45 -0.383 0 CA-C-N 115.775 -0.648 . . . . 0.0 113.167 -177.872 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 109' ' ' GLY . . . . . 0.441 ' O ' HG23 ' A' ' 72' ' ' VAL . . . -142.38 -149.13 5.11 Favored Glycine 0 N--CA 1.44 -1.071 0 N-CA-C 111.655 -0.578 . . . . 0.0 111.655 179.799 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 110' ' ' ASN . . . . . . . . . . . . . 48.3 t30 -129.28 142.93 50.7 Favored 'General case' 0 C--N 1.318 -0.775 0 N-CA-C 109.658 -0.497 . . . . 0.0 109.658 179.546 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 111' ' ' ASN . . . . . . . . . . . . . 73.0 m-20 -98.63 -3.3 36.43 Favored 'General case' 0 C--N 1.325 -0.499 0 CA-C-N 116.525 -0.307 . . . . 0.0 111.124 -179.536 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 112' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.249 1.053 0 CA-C-O 118.698 -0.668 . . . . 0.0 109.995 177.641 . . . . . . . . 0 0 . 1 . 004 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 37.6 t . . . . . 0 N--CA 1.477 0.885 0 CA-C-O 120.613 0.244 . . . . 0.0 110.495 . . . . . . . . . 0 0 . 1 . 004 nuclear build full ' A' A ' 7' ' ' MET . . . . . . . . . . . . . 1.8 pmm? -75.17 -19.85 59.64 Favored 'General case' 0 C--N 1.328 -0.327 0 N-CA-C 109.685 -0.487 . . . . 0.0 109.685 176.947 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -72.44 -46.6 54.29 Favored 'General case' 0 C--N 1.331 -0.215 0 CA-C-N 115.777 -0.647 . . . . 0.0 110.747 178.33 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 9' ' ' GLN . . . . . . . . . . . . . 75.3 mt-30 -76.69 -12.03 59.94 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 120.976 0.417 . . . . 0.0 110.831 179.41 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -103.9 12.44 34.36 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 115.991 -0.55 . . . . 0.0 110.622 178.219 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -83.34 86.82 6.99 Favored 'General case' 0 C--N 1.325 -0.495 0 CA-C-N 115.946 -0.57 . . . . 0.0 110.26 178.99 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 29.7 pt20 -72.07 154.36 41.16 Favored 'General case' 0 C--N 1.325 -0.492 0 CA-C-N 115.653 -0.703 . . . . 0.0 110.595 -178.756 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 13' ' ' GLN . . . . . 0.471 ' OE1' ' HA ' ' A' ' 57' ' ' MET . 44.6 mt-30 -121.86 138.75 54.27 Favored 'General case' 0 C--N 1.32 -0.705 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.418 -179.133 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 14' ' ' LYS . . . . . 0.49 ' HB2' ' CE2' ' A' ' 16' ' ' PHE . 34.8 mmtp -109.8 151.27 27.19 Favored 'General case' 0 C--N 1.323 -0.576 0 CA-C-N 116.237 -0.438 . . . . 0.0 109.949 -178.386 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 15' ' ' ASN . . . . . 0.434 ' HA ' ' HA ' ' A' ' 56' ' ' SER . 7.3 t30 -83.07 101.31 11.06 Favored 'General case' 0 C--N 1.324 -0.528 0 CA-C-O 120.844 0.354 . . . . 0.0 110.111 -179.947 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 16' ' ' PHE . . . . . 0.49 ' CE2' ' HB2' ' A' ' 14' ' ' LYS . 90.6 m-85 -100.27 129.7 46.3 Favored 'General case' 0 C--N 1.323 -0.57 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.924 -178.418 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 24.3 t-20 -131.32 95.51 3.79 Favored 'General case' 0 C--N 1.324 -0.514 0 CA-C-N 115.903 -0.59 . . . . 0.0 109.728 176.349 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 18' ' ' ILE . . . . . 0.457 ' CD1' ' HB2' ' A' ' 30' ' ' PHE . 11.9 mt -123.09 119.87 58.93 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.546 0 CA-C-N 116.091 -0.504 . . . . 0.0 110.577 -175.768 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -68.72 148.99 49.57 Favored 'General case' 0 C--N 1.325 -0.497 0 N-CA-C 108.931 -0.766 . . . . 0.0 108.931 173.005 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -64.05 104.21 0.69 Allowed 'General case' 0 C--N 1.326 -0.423 0 CA-C-O 121.273 0.559 . . . . 0.0 110.695 -176.45 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 21' ' ' GLN . . . . . . . . . . . . . 77.6 mt-30 -104.31 172.61 3.99 Favored Pre-proline 0 C--N 1.32 -0.682 0 CA-C-N 115.266 -0.879 . . . . 0.0 109.738 177.682 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 22' ' ' PRO . . . . . . . . . . . . . 52.7 Cg_exo -55.88 140.22 85.15 Favored 'Trans proline' 0 N--CA 1.462 -0.357 0 C-N-CA 121.629 1.553 . . . . 0.0 109.852 165.85 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -51.21 -50.37 59.21 Favored 'General case' 0 C--N 1.328 -0.357 0 N-CA-C 112.434 0.531 . . . . 0.0 112.434 -168.846 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 2.7 mp0 -63.32 -31.37 72.5 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-O 120.721 0.296 . . . . 0.0 111.506 -178.514 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 47.4 t -78.58 -35.44 45.81 Favored 'General case' 0 C--N 1.325 -0.462 0 CA-C-N 116.368 -0.378 . . . . 0.0 110.375 177.439 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -58.1 -53.99 52.01 Favored 'General case' 0 CA--C 1.514 -0.436 0 CA-C-O 121.49 0.662 . . . . 0.0 110.727 -179.582 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 27' ' ' MET . . . . . 0.449 ' CB ' HG13 ' A' ' 38' ' ' VAL . 19.9 mmt -74.79 -19.15 60.32 Favored 'General case' 0 C--N 1.317 -0.817 0 CA-C-N 115.207 -0.906 . . . . 0.0 110.97 -176.127 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 28' ' ' LEU . . . . . 0.457 ' O ' ' HB3' ' A' ' 32' ' ' GLU . 63.4 tp -64.06 -32.48 74.05 Favored 'General case' 0 C--N 1.322 -0.617 0 N-CA-C 109.059 -0.719 . . . . 0.0 109.059 172.55 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 29' ' ' ARG . . . . . 0.437 ' HA ' ' OE2' ' A' ' 32' ' ' GLU . 19.2 mmt180 -90.14 -38.03 13.79 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 115.667 -0.697 . . . . 0.0 111.4 -179.569 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 30' ' ' PHE . . . . . 0.457 ' HB2' ' CD1' ' A' ' 18' ' ' ILE . 17.9 t80 -71.69 -56.25 6.17 Favored 'General case' 0 C--N 1.323 -0.547 0 CA-C-O 121.293 0.568 . . . . 0.0 110.964 177.467 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -76.31 -17.42 59.44 Favored 'General case' 0 C--N 1.318 -0.79 0 CA-C-N 115.668 -0.696 . . . . 0.0 112.064 -170.422 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 32' ' ' GLU . . . . . 0.457 ' HB3' ' O ' ' A' ' 28' ' ' LEU . 14.5 pt-20 -64.0 -29.73 70.87 Favored 'General case' 0 N--CA 1.463 0.194 0 C-N-CA 119.995 -0.682 . . . . 0.0 109.843 174.84 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 33' ' ' GLN . . . . . . . . . . . . . 77.8 mt-30 -77.05 -30.8 55.77 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 115.93 -0.577 . . . . 0.0 110.165 176.359 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -88.31 -19.04 27.25 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-N 115.653 -0.703 . . . . 0.0 111.547 -176.636 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 95.46 31.65 7.39 Favored Glycine 0 CA--C 1.52 0.377 0 CA-C-N 116.298 -0.41 . . . . 0.0 112.806 178.688 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 36' ' ' MET . . . . . . . . . . . . . 71.3 mtm -144.64 175.73 9.94 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.631 0.253 . . . . 0.0 111.072 -176.666 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 37' ' ' GLN . . . . . . . . . . . . . 38.7 mt-30 -150.65 161.61 42.27 Favored 'General case' 0 C--N 1.329 -0.288 0 C-N-CA 123.328 0.651 . . . . 0.0 109.476 174.138 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 38' ' ' VAL . . . . . 0.449 HG13 ' CB ' ' A' ' 27' ' ' MET . 4.2 m -77.01 136.7 23.95 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.5 0 CA-C-O 121.073 0.463 . . . . 0.0 111.348 -177.244 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 39' ' ' PHE . . . . . . . . . . . . . 89.3 t80 -116.03 98.21 6.51 Favored 'General case' 0 C--N 1.323 -0.562 0 CA-C-N 115.797 -0.638 . . . . 0.0 109.85 178.071 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 40' ' ' PHE . . . . . . . . . . . . . 93.3 m-85 -145.67 135.81 23.8 Favored 'General case' 0 C--N 1.322 -0.588 0 CA-C-N 115.925 -0.58 . . . . 0.0 110.232 -178.864 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 8.8 m-20 -125.93 -69.11 0.79 Allowed 'General case' 0 C--N 1.322 -0.605 0 CA-C-N 116.08 -0.509 . . . . 0.0 110.444 177.933 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 38.2 mt-10 -98.52 87.39 3.82 Favored 'General case' 0 C--N 1.322 -0.603 0 CA-C-N 116.08 -0.509 . . . . 0.0 109.902 179.532 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 43' ' ' VAL . . . . . . . . . . . . . 19.3 m -146.13 -162.62 0.12 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.448 0 CA-C-N 115.394 -0.821 . . . . 0.0 109.916 -177.274 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 36.9 ttmt -54.51 137.83 42.0 Favored 'General case' 0 C--O 1.236 0.343 0 CA-C-O 121.228 0.537 . . . . 0.0 110.744 174.737 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 63.9 tp -56.61 136.68 54.59 Favored 'General case' 0 C--N 1.325 -0.467 0 CA-C-N 115.132 -0.94 . . . . 0.0 111.017 -178.522 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 2.2 m-20 -55.76 149.83 13.84 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 115.564 -0.744 . . . . 0.0 110.886 176.832 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 121.42 -20.75 8.29 Favored Glycine 0 N--CA 1.444 -0.793 0 N-CA-C 110.047 -1.221 . . . . 0.0 110.047 -169.672 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 48' ' ' MET . . . . . . . . . . . . . 16.9 tpt -58.38 127.54 32.64 Favored 'General case' 0 C--O 1.234 0.243 0 CA-C-N 114.695 -0.752 . . . . 0.0 110.456 176.739 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 30.2 mm-40 -93.21 148.55 21.93 Favored 'General case' 0 C--N 1.319 -0.747 0 CA-C-O 121.282 0.563 . . . . 0.0 110.845 -179.512 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -83.73 166.73 17.81 Favored 'General case' 0 C--N 1.317 -0.815 0 CA-C-N 115.312 -0.858 . . . . 0.0 109.422 174.884 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -83.63 157.42 22.26 Favored 'General case' 0 C--N 1.317 -0.815 0 CA-C-N 116.347 -0.388 . . . . 0.0 110.465 -179.443 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -65.43 110.12 2.55 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.029 -0.532 . . . . 0.0 109.79 178.022 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 53' ' ' LEU . . . . . 0.408 ' HG ' ' HG ' ' A' ' 66' ' ' LEU . 2.8 tm? -108.5 117.28 33.77 Favored 'General case' 0 C--N 1.322 -0.599 0 CA-C-N 116.307 -0.406 . . . . 0.0 110.57 -173.895 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 54' ' ' ASN . . . . . . . . . . . . . 10.2 t30 -153.5 103.76 2.68 Favored 'General case' 0 C--N 1.324 -0.534 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.186 172.735 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . 178.52 158.28 20.82 Favored Glycine 0 N--CA 1.445 -0.753 0 C-N-CA 120.587 -0.816 . . . . 0.0 112.185 178.49 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 56' ' ' SER . . . . . 0.488 ' HA ' ' O ' ' A' ' 14' ' ' LYS . 29.0 t -91.25 108.41 19.86 Favored 'General case' 0 C--N 1.322 -0.622 0 N-CA-C 109.18 -0.674 . . . . 0.0 109.18 175.265 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 57' ' ' MET . . . . . 0.505 ' SD ' ' HA2' ' A' ' 62' ' ' GLY . 20.2 ptp -156.64 169.92 23.58 Favored 'General case' 0 C--N 1.324 -0.512 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.851 -173.977 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 4.8 m -88.01 177.51 6.92 Favored 'General case' 0 C--N 1.326 -0.452 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.059 177.612 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 59' ' ' VAL . . . . . . . . . . . . . 45.9 t -60.67 -39.98 83.3 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 N-CA-C 110.328 -0.249 . . . . 0.0 110.328 179.834 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 62.0 mm-40 -47.62 -61.41 1.95 Allowed 'General case' 0 N--CA 1.463 0.193 0 CA-C-N 115.98 -0.555 . . . . 0.0 111.575 177.1 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 61' ' ' GLN . . . . . 0.464 ' HB2' ' HB2' ' A' ' 57' ' ' MET . 68.5 mt-30 -72.23 -36.01 69.0 Favored 'General case' 0 C--N 1.325 -0.467 0 CA-C-N 115.851 -0.613 . . . . 0.0 110.971 -176.968 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 62' ' ' GLY . . . . . 0.512 ' O ' ' HB2' ' A' ' 66' ' ' LEU . . . -66.91 -54.04 23.8 Favored Glycine 0 C--O 1.222 -0.654 0 CA-C-N 115.86 -0.609 . . . . 0.0 112.958 -175.885 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 63' ' ' LEU . . . . . 0.418 HD12 ' CG ' ' A' ' 74' ' ' PHE . 1.9 tm? -59.51 -44.74 93.04 Favored 'General case' 0 C--N 1.325 -0.476 0 CA-C-O 120.969 0.414 . . . . 0.0 110.817 -175.479 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 64' ' ' ARG . . . . . . . . . . . . . 54.0 mtp180 -58.29 -47.41 83.74 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 115.884 -0.598 . . . . 0.0 110.848 178.568 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 65' ' ' ARG . . . . . 0.515 ' HA ' ' HA2' ' A' ' 69' ' ' GLY . 73.7 ttt180 -73.36 -31.99 64.26 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 116.067 -0.515 . . . . 0.0 111.344 -178.512 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 66' ' ' LEU . . . . . 0.512 ' HB2' ' O ' ' A' ' 62' ' ' GLY . 1.2 tt -70.07 -44.86 68.27 Favored 'General case' 0 C--N 1.325 -0.498 0 CA-C-N 115.652 -0.704 . . . . 0.0 111.213 -174.694 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 67' ' ' ILE . . . . . 0.699 ' HB ' ' ND2' ' A' ' 111' ' ' ASN . 58.3 mt -75.18 -65.78 0.66 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.26 0 C-N-CA 120.048 -0.661 . . . . 0.0 111.044 -176.966 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . -116.84 -49.09 0.43 Allowed Glycine 0 N--CA 1.45 -0.409 0 C-N-CA 120.913 -0.66 . . . . 0.0 113.347 -179.098 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 69' ' ' GLY . . . . . 0.515 ' HA2' ' HA ' ' A' ' 65' ' ' ARG . . . 105.17 -6.12 42.54 Favored Glycine 0 N--CA 1.45 -0.384 0 N-CA-C 111.032 -0.827 . . . . 0.0 111.032 -168.869 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 70' ' ' ASN . . . . . . . . . . . . . 94.6 m-20 -101.27 161.45 23.6 Favored Pre-proline 0 C--N 1.325 -0.472 0 CA-C-N 115.564 -0.318 . . . . 0.0 110.309 179.061 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 71' ' ' PRO . . . . . . . . . . . . . 37.8 Cg_exo -63.23 125.57 16.02 Favored 'Trans proline' 0 C--N 1.344 0.314 0 C-N-CA 122.755 2.304 . . . . 0.0 112.136 176.492 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 72' ' ' VAL . . . . . . . . . . . . . 4.3 p -152.17 161.14 3.09 Favored 'Isoleucine or valine' 0 N--CA 1.447 -0.594 0 N-CA-C 109.545 -0.539 . . . . 0.0 109.545 -176.629 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 73' ' ' ALA . . . . . 0.47 ' HB2' HD13 ' A' ' 87' ' ' LEU . . . -102.83 138.85 39.16 Favored 'General case' 0 N--CA 1.439 -1.021 0 N-CA-C 109.102 -0.703 . . . . 0.0 109.102 175.956 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 74' ' ' PHE . . . . . 0.418 ' CG ' HD12 ' A' ' 63' ' ' LEU . 15.1 p90 -147.0 119.95 8.74 Favored 'General case' 0 C--N 1.309 -1.181 0 CA-C-O 121.503 0.668 . . . . 0.0 110.068 179.709 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 75' ' ' ARG . . . . . . . . . . . . . 55.8 mtm180 -91.5 112.81 24.87 Favored 'General case' 0 C--N 1.319 -0.753 0 CA-C-N 115.29 -0.868 . . . . 0.0 110.594 -175.549 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 76' ' ' LEU . . . . . . . . . . . . . 75.0 mt -91.58 99.74 12.6 Favored 'General case' 0 C--N 1.323 -0.562 0 CA-C-N 115.505 -0.77 . . . . 0.0 110.448 -177.739 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 77' ' ' GLN . . . . . . . . . . . . . 79.5 mt-30 -82.13 121.9 79.15 Favored Pre-proline 0 C--N 1.322 -0.624 0 CA-C-N 116.095 -0.502 . . . . 0.0 110.038 178.989 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 78' ' ' PRO . . . . . . . . . . . . . 31.5 Cg_exo -60.24 -12.07 18.51 Favored 'Trans proline' 0 C--N 1.347 0.475 0 C-N-CA 123.057 2.505 . . . . 0.0 112.092 178.496 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 79' ' ' GLN . . . . . . . . . . . . . 7.3 mm100 -69.22 -15.75 63.45 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.063 -0.517 . . . . 0.0 109.945 176.855 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . 109.66 31.35 3.22 Favored Glycine 0 N--CA 1.447 -0.628 0 C-N-CA 120.923 -0.656 . . . . 0.0 112.499 178.31 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 81' ' ' GLN . . . . . . . . . . . . . 26.4 mt-30 -134.64 126.44 29.15 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-O 121.038 0.447 . . . . 0.0 111.584 -176.95 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 82' ' ' ILE . . . . . . . . . . . . . 65.1 mt -100.69 116.29 43.87 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.517 0 CA-C-N 115.742 -0.663 . . . . 0.0 109.652 174.698 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 83' ' ' VAL . . . . . . . . . . . . . 41.4 t -115.91 119.76 62.82 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.535 0 CA-C-N 116.451 -0.341 . . . . 0.0 110.329 -179.389 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 84' ' ' LEU . . . . . . . . . . . . . 17.9 tp -78.63 153.61 30.93 Favored 'General case' 0 C--N 1.326 -0.455 0 N-CA-C 110.109 -0.33 . . . . 0.0 110.109 -179.231 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 85' ' ' SER . . . . . . . . . . . . . 32.7 m -154.02 172.71 17.04 Favored 'General case' 0 C--N 1.324 -0.515 0 N-CA-C 109.388 -0.597 . . . . 0.0 109.388 179.51 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 86' ' ' ARG . . . . . . . . . . . . . 38.3 ttt180 -122.84 123.32 40.74 Favored 'General case' 0 C--N 1.318 -0.798 0 N-CA-C 109.35 -0.611 . . . . 0.0 109.35 177.833 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 87' ' ' LEU . . . . . 0.47 HD13 ' HB2' ' A' ' 73' ' ' ALA . 1.7 tp -81.66 141.97 48.91 Favored Pre-proline 0 C--N 1.322 -0.599 0 CA-C-N 116.396 -0.366 . . . . 0.0 110.278 -176.709 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 88' ' ' PRO . . . . . 0.414 ' HD3' ' HA ' ' A' ' 87' ' ' LEU . 1.0 OUTLIER -85.13 140.61 7.77 Favored 'Trans proline' 0 N--CA 1.454 -0.849 0 C-N-CA 123.043 2.495 . . . . 0.0 111.579 -179.345 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 89' ' ' THR . . . . . . . . . . . . . 10.6 m -69.05 97.85 0.92 Allowed 'General case' 0 C--N 1.322 -0.598 0 CA-C-N 116.084 -0.507 . . . . 0.0 110.592 178.798 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 90' ' ' ALA . . . . . . . . . . . . . . . -62.8 127.25 30.38 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.175 178.036 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 91' ' ' ASN . . . . . . . . . . . . . 25.8 t-20 -100.22 -41.74 6.97 Favored 'General case' 0 C--N 1.324 -0.504 0 CA-C-N 116.218 -0.447 . . . . 0.0 111.171 -171.764 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 92' ' ' GLY . . . . . . . . . . . . . . . -82.1 -61.27 2.03 Favored Glycine 0 N--CA 1.449 -0.479 0 C-N-CA 120.259 -0.972 . . . . 0.0 112.747 -175.71 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 7.5 p-10 -84.28 -30.18 25.83 Favored 'General case' 0 C--N 1.325 -0.458 0 CA-C-O 120.71 0.29 . . . . 0.0 110.711 -178.798 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 94' ' ' GLY . . . . . . . . . . . . . . . 95.01 -27.41 14.84 Favored Glycine 0 N--CA 1.452 -0.256 0 C-N-CA 120.773 -0.727 . . . . 0.0 112.715 177.97 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 95' ' ' GLY . . . . . . . . . . . . . . . 74.52 102.35 0.09 OUTLIER Glycine 0 N--CA 1.45 -0.432 0 C-N-CA 121.066 -0.587 . . . . 0.0 112.389 -179.634 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 96' ' ' ALA . . . . . 0.555 ' O ' ' HB3' ' A' ' 97' ' ' LEU . . . -72.63 76.53 1.09 Allowed 'General case' 0 C--N 1.331 -0.228 0 CA-C-O 121.136 0.493 . . . . 0.0 110.942 -178.881 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 97' ' ' LEU . . . . . 0.555 ' HB3' ' O ' ' A' ' 96' ' ' ALA . 2.4 pt? 157.02 -33.12 0.0 OUTLIER 'General case' 0 N--CA 1.468 0.442 0 C-N-CA 125.723 1.609 . . . . 0.0 107.426 178.088 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 98' ' ' ALA . . . . . . . . . . . . . . . -78.0 -35.76 49.64 Favored 'General case' 0 N--CA 1.444 -0.732 0 CA-C-N 114.637 -1.165 . . . . 0.0 109.294 175.752 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 99' ' ' LEU . . . . . 0.404 HD12 ' N ' ' A' ' 100' ' ' ASP . 4.6 pp -65.89 -24.6 66.89 Favored 'General case' 0 C--N 1.325 -0.481 0 CA-C-N 115.827 -0.624 . . . . 0.0 111.996 -179.445 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 100' ' ' ASP . . . . . 0.404 ' N ' HD12 ' A' ' 99' ' ' LEU . 1.2 p-10 -99.6 -13.04 19.58 Favored 'General case' 0 C--O 1.231 0.103 0 C-N-CA 119.991 -0.684 . . . . 0.0 110.947 -179.146 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 38.8 m -100.86 -50.85 3.71 Favored 'General case' 0 C--N 1.323 -0.544 0 CA-C-N 116.422 -0.353 . . . . 0.0 111.335 178.875 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 102' ' ' LEU . . . . . . . . . . . . . 74.6 mt -77.92 9.58 3.48 Favored 'General case' 0 C--N 1.325 -0.46 0 CA-C-N 116.516 -0.311 . . . . 0.0 111.727 -173.67 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 103' ' ' THR . . . . . . . . . . . . . 3.3 m -57.21 -36.19 70.56 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 121.211 0.529 . . . . 0.0 110.738 -179.952 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 104' ' ' VAL . . . . . . . . . . . . . 15.7 m -120.67 115.2 46.29 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 CA-C-N 115.821 -0.627 . . . . 0.0 110.682 176.63 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 105' ' ' LEU . . . . . . . . . . . . . 92.6 mt -128.24 179.02 5.84 Favored 'General case' 0 C--N 1.323 -0.561 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.673 -179.048 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 106' ' ' GLY . . . . . . . . . . . . . . . -149.86 176.17 28.66 Favored Glycine 0 N--CA 1.443 -0.835 0 N-CA-C 111.303 -0.719 . . . . 0.0 111.303 179.261 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 107' ' ' ALA . . . . . . . . . . . . . . . -84.56 127.73 34.21 Favored 'General case' 0 C--N 1.321 -0.671 0 CA-C-O 120.835 0.35 . . . . 0.0 110.966 -179.227 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 108' ' ' GLY . . . . . . . . . . . . . . . 85.85 -120.53 5.41 Favored Glycine 0 N--CA 1.446 -0.638 0 C-N-CA 120.889 -0.672 . . . . 0.0 112.63 177.367 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 109' ' ' GLY . . . . . . . . . . . . . . . -82.87 138.45 18.09 Favored Glycine 0 N--CA 1.449 -0.495 0 C-N-CA 120.881 -0.676 . . . . 0.0 112.989 -175.635 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 110' ' ' ASN . . . . . . . . . . . . . 12.1 m120 -97.09 -73.95 0.59 Allowed 'General case' 0 C--N 1.326 -0.45 0 CA-C-O 120.848 0.356 . . . . 0.0 110.273 176.081 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 111' ' ' ASN . . . . . 0.699 ' ND2' ' HB ' ' A' ' 67' ' ' ILE . 0.9 OUTLIER -91.81 -31.59 15.67 Favored 'General case' 0 C--N 1.324 -0.532 0 CA-C-N 116.343 -0.39 . . . . 0.0 110.347 179.038 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 112' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.246 0.87 0 CA-C-O 118.618 -0.706 . . . . 0.0 110.69 -178.276 . . . . . . . . 0 0 . 1 . 005 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 47.8 t . . . . . 0 N--CA 1.48 1.061 0 CA-C-O 120.346 0.117 . . . . 0.0 111.287 . . . . . . . . . 0 0 . 1 . 005 nuclear build full ' A' A ' 7' ' ' MET . . . . . . . . . . . . . 4.4 mpp? -56.25 -32.75 64.78 Favored 'General case' 0 N--CA 1.463 0.188 0 N-CA-C 112.156 0.428 . . . . 0.0 112.156 -173.351 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -73.24 -50.43 22.41 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-O 120.752 0.31 . . . . 0.0 111.509 -178.913 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 9' ' ' GLN . . . . . . . . . . . . . 75.7 mt-30 -76.2 -22.14 55.64 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.745 0.307 . . . . 0.0 111.734 -176.704 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -91.46 8.07 38.13 Favored 'General case' 0 C--N 1.324 -0.534 0 CA-C-N 116.66 -0.246 . . . . 0.0 110.674 178.625 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . 69.11 -79.23 0.04 OUTLIER 'General case' 0 N--CA 1.463 0.222 0 O-C-N 123.922 0.764 . . . . 0.0 111.551 179.883 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 26.2 pt20 -141.82 156.26 45.55 Favored 'General case' 0 C--N 1.323 -0.548 0 CA-C-O 121.036 0.446 . . . . 0.0 111.08 -179.08 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 93.2 mt-30 -109.46 135.26 50.77 Favored 'General case' 0 C--N 1.324 -0.542 0 CA-C-N 115.791 -0.641 . . . . 0.0 110.361 177.316 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 14' ' ' LYS . . . . . 0.437 ' HB2' ' CE2' ' A' ' 16' ' ' PHE . 35.4 mmtp -108.96 154.03 22.74 Favored 'General case' 0 C--N 1.32 -0.688 0 N-CA-C 109.551 -0.537 . . . . 0.0 109.551 178.598 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 15' ' ' ASN . . . . . . . . . . . . . 27.1 t-20 -86.56 113.76 22.73 Favored 'General case' 0 C--N 1.321 -0.657 0 CA-C-N 116.403 -0.362 . . . . 0.0 110.33 -179.163 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 16' ' ' PHE . . . . . 0.437 ' CE2' ' HB2' ' A' ' 14' ' ' LYS . 94.7 m-85 -113.23 152.49 29.71 Favored 'General case' 0 C--N 1.323 -0.544 0 CA-C-N 116.094 -0.503 . . . . 0.0 111.276 -177.468 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 43.7 t30 -149.96 90.58 1.7 Allowed 'General case' 0 C--N 1.324 -0.523 0 CA-C-N 115.38 -0.827 . . . . 0.0 109.073 176.646 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 18' ' ' ILE . . . . . 0.456 ' HB ' ' HB3' ' A' ' 53' ' ' LEU . 20.0 mm -112.49 123.36 68.12 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.513 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.449 -175.368 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -77.99 156.5 30.13 Favored 'General case' 0 C--N 1.323 -0.545 0 N-CA-C 108.688 -0.856 . . . . 0.0 108.688 172.175 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -69.77 102.09 1.84 Allowed 'General case' 0 C--N 1.328 -0.338 0 C-N-CA 120.003 -0.679 . . . . 0.0 110.332 -176.231 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 21' ' ' GLN . . . . . . . . . . . . . 76.7 mt-30 -104.93 165.17 13.71 Favored Pre-proline 0 C--N 1.322 -0.63 0 CA-C-N 114.936 -1.029 . . . . 0.0 109.641 176.565 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 22' ' ' PRO . . . . . . . . . . . . . 9.6 Cg_endo -55.59 137.73 78.79 Favored 'Trans proline' 0 N--CA 1.46 -0.465 0 C-N-CA 121.918 1.745 . . . . 0.0 109.597 165.952 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 23' ' ' LEU . . . . . 0.428 HD12 ' HB3' ' A' ' 48' ' ' MET . 0.6 OUTLIER -49.76 -42.22 45.92 Favored 'General case' 0 C--N 1.327 -0.391 0 N-CA-C 112.591 0.589 . . . . 0.0 112.591 -167.508 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 24.5 mp0 -57.25 -53.1 61.9 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-O 121.017 0.436 . . . . 0.0 110.63 -179.245 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 25' ' ' SER . . . . . 0.426 ' O ' ' HG2' ' A' ' 29' ' ' ARG . 43.2 t -71.09 -32.33 68.93 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-N 115.867 -0.606 . . . . 0.0 110.859 -178.526 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -56.21 -59.23 5.24 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 121.24 0.543 . . . . 0.0 111.388 -177.386 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 27' ' ' MET . . . . . 0.626 ' HB2' ' CG1' ' A' ' 38' ' ' VAL . 9.8 mmt -82.46 -13.49 56.64 Favored 'General case' 0 CA--C 1.506 -0.734 0 CA-C-N 115.904 -0.589 . . . . 0.0 110.283 -176.604 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 28' ' ' LEU . . . . . 0.67 ' O ' ' HG3' ' A' ' 32' ' ' GLU . 65.4 tp -60.1 -53.42 58.0 Favored 'General case' 0 C--N 1.321 -0.672 0 N-CA-C 108.257 -1.016 . . . . 0.0 108.257 167.729 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 29' ' ' ARG . . . . . 0.426 ' HG2' ' O ' ' A' ' 25' ' ' SER . 28.5 mmt180 -63.94 -42.73 97.26 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 115.811 -0.631 . . . . 0.0 111.588 -178.46 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 30' ' ' PHE . . . . . 0.566 ' CE2' HD21 ' A' ' 63' ' ' LEU . 8.1 t80 -63.83 -54.38 35.99 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 121.035 0.445 . . . . 0.0 110.746 176.82 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 31' ' ' ALA . . . . . 0.506 ' HB1' ' HB2' ' A' ' 36' ' ' MET . . . -69.9 -19.37 63.41 Favored 'General case' 0 N--CA 1.448 -0.57 0 CA-C-N 116.039 -0.528 . . . . 0.0 111.184 -174.584 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 32' ' ' GLU . . . . . 0.67 ' HG3' ' O ' ' A' ' 28' ' ' LEU . 27.8 mt-10 -57.09 -34.38 68.26 Favored 'General case' 0 N--CA 1.468 0.442 0 C-N-CA 120.624 -0.43 . . . . 0.0 110.577 174.052 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 33' ' ' GLN . . . . . . . . . . . . . 87.8 mm-40 -90.13 -14.01 34.51 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.935 -179.699 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -96.89 -16.12 20.87 Favored 'General case' 0 C--N 1.324 -0.518 0 CA-C-N 116.255 -0.43 . . . . 0.0 111.335 -179.165 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 94.0 22.53 25.18 Favored Glycine 0 N--CA 1.451 -0.309 0 C-N-CA 121.113 -0.565 . . . . 0.0 112.364 179.557 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 36' ' ' MET . . . . . 0.506 ' HB2' ' HB1' ' A' ' 31' ' ' ALA . 1.1 mtp -130.11 175.46 8.88 Favored 'General case' 0 C--N 1.325 -0.5 0 CA-C-O 120.616 0.246 . . . . 0.0 110.606 -175.825 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 37' ' ' GLN . . . . . 0.452 ' O ' ' HA ' ' A' ' 81' ' ' GLN . 29.4 tt0 -147.92 155.57 41.73 Favored 'General case' 0 C--N 1.326 -0.433 0 N-CA-C 109.591 -0.522 . . . . 0.0 109.591 176.553 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 38' ' ' VAL . . . . . 0.626 ' CG1' ' HB2' ' A' ' 27' ' ' MET . 22.9 m -78.09 144.09 11.81 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.443 0 CA-C-O 120.937 0.398 . . . . 0.0 110.745 178.281 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 39' ' ' PHE . . . . . 0.521 ' O ' HG12 ' A' ' 83' ' ' VAL . 68.7 t80 -127.12 120.59 29.23 Favored 'General case' 0 C--N 1.319 -0.742 0 CA-C-N 116.097 -0.501 . . . . 0.0 109.962 177.269 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 40' ' ' PHE . . . . . . . . . . . . . 64.7 m-85 -124.94 129.08 49.65 Favored 'General case' 0 C--N 1.316 -0.849 0 N-CA-C 109.165 -0.68 . . . . 0.0 109.165 173.637 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 7.5 p-10 -83.79 -171.64 3.71 Favored 'General case' 0 C--N 1.321 -0.661 0 N-CA-C 108.961 -0.755 . . . . 0.0 108.961 175.806 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 42.7 mt-10 -73.3 87.3 1.49 Allowed 'General case' 0 C--N 1.321 -0.643 0 CA-C-O 121.303 0.573 . . . . 0.0 110.71 -177.059 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 43' ' ' VAL . . . . . . . . . . . . . 15.4 m -123.73 152.78 29.23 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.444 0 CA-C-N 115.393 -0.821 . . . . 0.0 110.904 -177.749 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 39.2 ttpt -104.55 91.63 3.96 Favored 'General case' 0 C--N 1.321 -0.646 0 CA-C-N 116.049 -0.523 . . . . 0.0 110.403 179.831 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 45' ' ' LEU . . . . . 0.532 ' O ' HD12 ' A' ' 45' ' ' LEU . 1.1 pp -156.61 125.48 5.93 Favored 'General case' 0 C--N 1.324 -0.513 0 CA-C-O 121.286 0.565 . . . . 0.0 110.633 177.568 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 4.6 p-10 -131.21 162.98 28.75 Favored 'General case' 0 C--N 1.322 -0.592 0 CA-C-N 115.89 -0.596 . . . . 0.0 110.027 -179.809 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 86.36 13.98 67.1 Favored Glycine 0 N--CA 1.449 -0.438 0 C-N-CA 120.497 -0.859 . . . . 0.0 111.526 -179.695 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 48' ' ' MET . . . . . 0.428 ' HB3' HD12 ' A' ' 23' ' ' LEU . 25.4 mmt -88.48 118.71 28.31 Favored 'General case' 0 N--CA 1.448 -0.562 0 N-CA-C 109.198 -0.668 . . . . 0.0 109.198 177.661 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 18.5 pt20 -138.78 166.33 24.7 Favored 'General case' 0 C--N 1.318 -0.773 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.479 -176.786 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -89.52 163.29 15.28 Favored 'General case' 0 C--N 1.32 -0.679 0 CA-C-N 115.751 -0.658 . . . . 0.0 110.357 179.801 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -95.95 174.03 7.14 Favored 'General case' 0 C--N 1.322 -0.596 0 CA-C-N 116.02 -0.536 . . . . 0.0 110.054 176.117 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -70.45 109.02 4.55 Favored 'General case' 0 C--N 1.325 -0.476 0 CA-C-O 121.017 0.437 . . . . 0.0 110.696 -179.263 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 53' ' ' LEU . . . . . 0.456 ' HB3' ' HB ' ' A' ' 18' ' ' ILE . 2.3 tm? -108.04 118.15 35.99 Favored 'General case' 0 C--N 1.322 -0.617 0 CA-C-N 115.873 -0.603 . . . . 0.0 109.604 -177.868 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 54' ' ' ASN . . . . . . . . . . . . . 56.3 t30 -152.78 98.53 2.35 Favored 'General case' 0 C--N 1.322 -0.6 0 CA-C-O 120.83 0.348 . . . . 0.0 110.261 176.461 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . 177.56 173.71 43.29 Favored Glycine 0 N--CA 1.449 -0.458 0 C-N-CA 120.829 -0.7 . . . . 0.0 112.427 178.73 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 20.9 m -99.19 106.4 18.57 Favored 'General case' 0 C--N 1.323 -0.577 0 N-CA-C 109.356 -0.609 . . . . 0.0 109.356 174.455 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 57' ' ' MET . . . . . 0.43 ' HB2' ' HB2' ' A' ' 61' ' ' GLN . 23.0 ptp -150.72 174.89 12.51 Favored 'General case' 0 C--N 1.323 -0.546 0 CA-C-N 116.351 -0.386 . . . . 0.0 110.633 -173.953 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 14.8 m -100.89 177.96 4.82 Favored 'General case' 0 C--N 1.323 -0.568 0 CA-C-N 116.363 -0.381 . . . . 0.0 110.764 -177.703 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 59' ' ' VAL . . . . . . . . . . . . . 11.3 p -52.76 -45.46 49.57 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.267 0 O-C-N 123.279 0.362 . . . . 0.0 111.951 -175.777 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 60' ' ' GLU . . . . . 0.686 ' O ' ' HG3' ' A' ' 64' ' ' ARG . 19.8 mt-10 -56.09 -65.31 0.62 Allowed 'General case' 0 C--N 1.325 -0.465 0 CA-C-N 116.507 -0.315 . . . . 0.0 111.145 179.393 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 61' ' ' GLN . . . . . 0.43 ' HB2' ' HB2' ' A' ' 57' ' ' MET . 25.3 mp0 -55.87 -36.96 68.16 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.967 -176.46 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . -60.16 -62.27 6.23 Favored Glycine 0 N--CA 1.446 -0.695 0 CA-C-N 115.835 -0.62 . . . . 0.0 112.22 177.967 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 63' ' ' LEU . . . . . 0.566 HD21 ' CE2' ' A' ' 30' ' ' PHE . 4.3 mm? -65.37 -22.21 66.78 Favored 'General case' 0 C--O 1.236 0.371 0 N-CA-C 111.637 0.236 . . . . 0.0 111.637 -176.168 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 64' ' ' ARG . . . . . 0.686 ' HG3' ' O ' ' A' ' 60' ' ' GLU . 99.2 mtt180 -63.17 -51.24 67.19 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.95 0.405 . . . . 0.0 110.487 176.373 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 65' ' ' ARG . . . . . . . . . . . . . 19.3 ttm180 -81.0 -28.75 35.36 Favored 'General case' 0 C--N 1.323 -0.56 0 CA-C-N 115.842 -0.617 . . . . 0.0 110.306 -178.371 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 66' ' ' LEU . . . . . 0.491 ' HB2' ' HA ' ' A' ' 63' ' ' LEU . 10.7 mt -70.68 -50.06 40.58 Favored 'General case' 0 C--N 1.323 -0.566 0 CA-C-N 115.263 -0.881 . . . . 0.0 112.819 -176.655 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 67' ' ' ILE . . . . . 0.49 HD12 HD21 ' A' ' 111' ' ' ASN . 58.1 mt -88.73 -64.11 1.2 Allowed 'Isoleucine or valine' 0 C--N 1.331 -0.232 0 N-CA-C 113.097 0.777 . . . . 0.0 113.097 -170.168 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . -114.2 -62.69 0.41 Allowed Glycine 0 N--CA 1.448 -0.519 0 C-N-CA 119.089 -1.529 . . . . 0.0 114.614 -170.886 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . 87.58 -21.96 19.39 Favored Glycine 0 CA--C 1.52 0.371 0 N-CA-C 110.401 -1.079 . . . . 0.0 110.401 -167.353 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 70' ' ' ASN . . . . . . . . . . . . . 26.9 p-10 -101.57 168.96 8.32 Favored Pre-proline 0 C--N 1.327 -0.39 0 C-N-CA 123.32 0.648 . . . . 0.0 109.47 176.781 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 71' ' ' PRO . . . . . . . . . . . . . 27.6 Cg_exo -63.35 97.87 0.21 Allowed 'Trans proline' 0 C--N 1.351 0.683 0 C-N-CA 122.341 2.027 . . . . 0.0 112.876 -179.343 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 72' ' ' VAL . . . . . . . . . . . . . 43.6 t -143.8 159.87 16.3 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.577 0 N-CA-C 107.515 -1.291 . . . . 0.0 107.515 176.875 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 73' ' ' ALA . . . . . 0.422 ' HA ' ' O ' ' A' ' 109' ' ' GLY . . . -117.19 132.23 56.69 Favored 'General case' 0 C--N 1.319 -0.719 0 C-N-CA 120.646 -0.421 . . . . 0.0 111.01 178.809 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 74' ' ' PHE . . . . . . . . . . . . . 23.0 p90 -106.18 126.85 52.72 Favored 'General case' 0 C--N 1.32 -0.715 0 CA-C-O 121.446 0.641 . . . . 0.0 110.238 175.481 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 75' ' ' ARG . . . . . . . . . . . . . 20.4 tpp180 -90.17 111.03 22.04 Favored 'General case' 0 C--N 1.319 -0.721 0 CA-C-N 115.183 -0.917 . . . . 0.0 110.347 -177.837 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 76' ' ' LEU . . . . . . . . . . . . . 87.9 mt -92.66 98.92 11.73 Favored 'General case' 0 C--N 1.319 -0.72 0 N-CA-C 109.461 -0.57 . . . . 0.0 109.461 175.872 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 77' ' ' GLN . . . . . 0.428 ' HA ' ' HD3' ' A' ' 78' ' ' PRO . 79.6 mt-30 -85.39 127.92 61.57 Favored Pre-proline 0 C--N 1.321 -0.672 0 CA-C-N 116.072 -0.513 . . . . 0.0 110.449 -178.954 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 78' ' ' PRO . . . . . 0.428 ' HD3' ' HA ' ' A' ' 77' ' ' GLN . 32.4 Cg_exo -58.76 -15.94 28.77 Favored 'Trans proline' 0 C--N 1.348 0.534 0 C-N-CA 123.249 2.633 . . . . 0.0 112.634 178.344 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 79' ' ' GLN . . . . . . . . . . . . . 93.3 mt-30 -78.47 -4.34 47.99 Favored 'General case' 0 C--O 1.234 0.288 0 CA-C-O 121.06 0.457 . . . . 0.0 110.701 177.073 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . 91.26 44.32 4.4 Favored Glycine 0 N--CA 1.444 -0.788 0 C-N-CA 120.967 -0.635 . . . . 0.0 112.737 177.887 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 81' ' ' GLN . . . . . 0.452 ' HA ' ' O ' ' A' ' 37' ' ' GLN . 76.4 mt-30 -132.63 140.7 48.32 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-O 120.698 0.285 . . . . 0.0 110.918 178.332 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 82' ' ' ILE . . . . . . . . . . . . . 43.6 mt -118.62 115.28 47.61 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.394 0 CA-C-N 115.886 -0.597 . . . . 0.0 109.864 175.688 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 83' ' ' VAL . . . . . 0.521 HG12 ' O ' ' A' ' 39' ' ' PHE . 26.9 m -130.92 165.59 30.9 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.387 0 N-CA-C 109.639 -0.504 . . . . 0.0 109.639 177.734 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 84' ' ' LEU . . . . . . . . . . . . . 11.1 mp -104.61 137.97 41.64 Favored 'General case' 0 C--N 1.324 -0.527 0 CA-C-O 121.108 0.48 . . . . 0.0 111.404 -178.273 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 85' ' ' SER . . . . . . . . . . . . . 31.9 m -126.12 152.01 46.49 Favored 'General case' 0 C--N 1.32 -0.699 0 CA-C-N 115.648 -0.705 . . . . 0.0 109.863 179.121 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 86' ' ' ARG . . . . . . . . . . . . . 13.3 ptm180 -101.44 83.35 2.44 Favored 'General case' 0 C--N 1.325 -0.49 0 CA-C-O 121.425 0.631 . . . . 0.0 111.466 -179.007 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 87' ' ' LEU . . . . . . . . . . . . . 4.4 mm? -91.13 152.53 44.18 Favored Pre-proline 0 C--N 1.323 -0.586 0 N-CA-C 109.736 -0.468 . . . . 0.0 109.736 175.71 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 88' ' ' PRO . . . . . . . . . . . . . 16.6 Cg_exo -69.3 -146.31 0.02 OUTLIER 'Trans proline' 0 CA--C 1.533 0.453 0 C-N-CA 122.927 2.418 . . . . 0.0 112.191 177.357 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 89' ' ' THR . . . . . . . . . . . . . 90.6 m -57.42 111.17 1.02 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.956 0.407 . . . . 0.0 110.215 173.891 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 90' ' ' ALA . . . . . . . . . . . . . . . -94.8 -179.21 4.78 Favored 'General case' 0 C--N 1.323 -0.559 0 CA-C-N 115.952 -0.567 . . . . 0.0 111.043 -176.317 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 91' ' ' ASN . . . . . . . . . . . . . 8.1 t30 -60.58 -33.36 72.6 Favored 'General case' 0 C--N 1.325 -0.49 0 CA-C-O 121.041 0.448 . . . . 0.0 110.733 -178.962 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 92' ' ' GLY . . . . . . . . . . . . . . . -95.76 19.77 52.85 Favored Glycine 0 N--CA 1.448 -0.547 0 C-N-CA 120.817 -0.706 . . . . 0.0 113.029 -177.31 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -92.28 18.41 8.33 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-O 121.027 0.441 . . . . 0.0 110.328 176.526 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 94' ' ' GLY . . . . . . . . . . . . . . . 95.41 -24.52 28.78 Favored Glycine 0 N--CA 1.449 -0.452 0 C-N-CA 120.936 -0.649 . . . . 0.0 112.296 -179.207 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 95' ' ' GLY . . . . . . . . . . . . . . . -117.4 138.09 13.86 Favored Glycine 0 N--CA 1.447 -0.615 0 C-N-CA 120.903 -0.665 . . . . 0.0 112.109 179.982 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 96' ' ' ALA . . . . . . . . . . . . . . . -77.45 79.54 3.95 Favored 'General case' 0 C--N 1.325 -0.488 0 CA-C-O 121.09 0.471 . . . . 0.0 110.886 179.129 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 97' ' ' LEU . . . . . . . . . . . . . 65.3 mt -108.43 30.56 6.33 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-O 121.136 0.493 . . . . 0.0 110.529 177.437 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 98' ' ' ALA . . . . . . . . . . . . . . . -63.08 -44.77 94.83 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 115.466 -0.788 . . . . 0.0 111.121 -178.559 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 99' ' ' LEU . . . . . 0.514 ' O ' ' HB ' ' A' ' 103' ' ' THR . 66.7 mt -96.49 1.81 51.86 Favored 'General case' 0 C--N 1.321 -0.662 0 CA-C-O 121.097 0.475 . . . . 0.0 110.699 -179.812 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 100' ' ' ASP . . . . . . . . . . . . . 10.0 t70 -98.24 -70.17 0.73 Allowed 'General case' 0 C--N 1.323 -0.55 0 CA-C-N 115.939 -0.573 . . . . 0.0 110.747 -179.765 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 21.0 m -92.32 -27.31 17.65 Favored 'General case' 0 C--N 1.325 -0.495 0 CA-C-O 120.998 0.428 . . . . 0.0 110.803 -176.755 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 102' ' ' LEU . . . . . . . . . . . . . 86.5 mt -96.45 9.82 40.14 Favored 'General case' 0 C--N 1.324 -0.522 0 CA-C-N 116.048 -0.524 . . . . 0.0 111.09 -179.404 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 103' ' ' THR . . . . . 0.514 ' HB ' ' O ' ' A' ' 99' ' ' LEU . 12.0 t -63.47 -17.9 63.21 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-O 120.851 0.357 . . . . 0.0 111.259 -179.806 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 104' ' ' VAL . . . . . . . . . . . . . 29.4 m -71.13 155.97 7.3 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.437 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.042 176.323 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 105' ' ' LEU . . . . . . . . . . . . . 3.9 mm? -77.16 55.97 1.23 Allowed 'General case' 0 C--N 1.325 -0.468 0 CA-C-O 121.437 0.636 . . . . 0.0 110.668 -179.622 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 106' ' ' GLY . . . . . . . . . . . . . . . -153.01 22.65 0.79 Allowed Glycine 0 N--CA 1.444 -0.808 0 N-CA-C 110.632 -0.987 . . . . 0.0 110.632 177.987 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 107' ' ' ALA . . . . . . . . . . . . . . . -76.11 127.23 32.51 Favored 'General case' 0 C--N 1.324 -0.504 0 CA-C-O 120.829 0.347 . . . . 0.0 110.82 -177.518 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 108' ' ' GLY . . . . . . . . . . . . . . . -129.77 174.99 19.27 Favored Glycine 0 N--CA 1.446 -0.685 0 C-N-CA 120.866 -0.683 . . . . 0.0 111.397 178.806 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 109' ' ' GLY . . . . . 0.422 ' O ' ' HA ' ' A' ' 73' ' ' ALA . . . -75.46 144.76 32.14 Favored Glycine 0 N--CA 1.446 -0.683 0 C-N-CA 120.434 -0.888 . . . . 0.0 111.346 178.094 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 110' ' ' ASN . . . . . 0.636 ' O ' ' HG2' ' A' ' 64' ' ' ARG . 5.4 p-10 -90.36 140.08 30.05 Favored 'General case' 0 C--N 1.32 -0.7 0 N-CA-C 109.923 -0.399 . . . . 0.0 109.923 179.847 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 111' ' ' ASN . . . . . 0.548 ' HA ' ' HA ' ' A' ' 64' ' ' ARG . 20.3 m120 -85.83 49.06 1.7 Allowed 'General case' 0 C--N 1.327 -0.405 0 CA-C-O 120.67 0.271 . . . . 0.0 111.474 -177.782 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 112' ' ' ALA . . . . . 0.448 ' HB3' HD22 ' A' ' 110' ' ' ASN . . . . . . . . 0 C--O 1.248 0.984 0 CA-C-O 118.257 -0.878 . . . . 0.0 110.624 179.837 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 20.3 t . . . . . 0 N--CA 1.477 0.922 0 N-CA-C 109.862 -0.422 . . . . 0.0 109.862 . . . . . . . . . 0 0 . 1 . 006 nuclear build full ' A' A ' 7' ' ' MET . . . . . . . . . . . . . 39.3 ttm -127.48 70.09 1.31 Allowed 'General case' 0 C--N 1.326 -0.429 0 CA-C-O 121.272 0.558 . . . . 0.0 109.745 -177.689 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -87.9 -24.14 23.72 Favored 'General case' 0 C--N 1.325 -0.487 0 CA-C-N 115.919 -0.582 . . . . 0.0 111.418 -175.022 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 9' ' ' GLN . . . . . . . . . . . . . 14.1 mm100 -81.13 11.99 3.77 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.334 -0.393 . . . . 0.0 111.442 -176.621 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -98.73 19.93 13.92 Favored 'General case' 0 C--N 1.325 -0.467 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.943 179.259 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . 58.51 51.5 7.98 Favored 'General case' 0 N--CA 1.462 0.126 0 CA-C-N 115.62 -0.718 . . . . 0.0 111.053 179.965 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 6.1 tp-100 -66.58 108.06 2.31 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 115.848 -0.614 . . . . 0.0 110.614 -179.977 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 70.7 mt-30 -121.88 135.32 54.88 Favored 'General case' 0 C--N 1.324 -0.527 0 CA-C-N 116.378 -0.374 . . . . 0.0 110.283 177.489 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 14' ' ' LYS . . . . . 0.424 ' O ' ' HA ' ' A' ' 56' ' ' SER . 70.9 mmtt -132.24 158.17 42.46 Favored 'General case' 0 C--N 1.321 -0.649 0 CA-C-N 116.083 -0.508 . . . . 0.0 110.555 -179.639 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 15' ' ' ASN . . . . . . . . . . . . . 22.4 t-20 -83.87 113.63 21.08 Favored 'General case' 0 C--N 1.324 -0.542 0 CA-C-N 115.76 -0.655 . . . . 0.0 109.816 176.497 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 16' ' ' PHE . . . . . 0.478 ' CE1' ' HE1' ' A' ' 30' ' ' PHE . 18.7 m-85 -99.57 135.11 41.48 Favored 'General case' 0 C--N 1.322 -0.614 0 CA-C-N 116.278 -0.419 . . . . 0.0 110.599 -177.163 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 16.4 m120 -127.48 88.63 2.82 Favored 'General case' 0 C--N 1.325 -0.489 0 N-CA-C 108.726 -0.842 . . . . 0.0 108.726 176.387 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 18' ' ' ILE . . . . . 0.508 HG21 HD11 ' A' ' 66' ' ' LEU . 15.5 mm -120.24 107.46 20.93 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.544 0 C-N-CA 120.933 -0.307 . . . . 0.0 111.069 -177.375 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -75.14 161.41 29.42 Favored 'General case' 0 C--N 1.326 -0.451 0 N-CA-C 108.557 -0.905 . . . . 0.0 108.557 168.837 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -69.55 102.2 1.78 Allowed 'General case' 0 C--N 1.328 -0.364 0 CA-C-O 121.478 0.656 . . . . 0.0 110.683 -175.878 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 21' ' ' GLN . . . . . . . . . . . . . 68.9 mt-30 -106.53 174.49 2.54 Favored Pre-proline 0 C--N 1.321 -0.667 0 CA-C-N 114.907 -1.042 . . . . 0.0 110.125 177.545 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 22' ' ' PRO . . . . . . . . . . . . . 21.9 Cg_exo -66.69 144.78 73.31 Favored 'Trans proline' 0 N--CA 1.462 -0.358 0 C-N-CA 121.967 1.778 . . . . 0.0 109.894 164.692 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -52.44 -45.69 66.09 Favored 'General case' 0 C--N 1.327 -0.386 0 N-CA-C 112.733 0.642 . . . . 0.0 112.733 -167.994 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 24' ' ' GLN . . . . . 0.742 ' O ' ' HG ' ' A' ' 28' ' ' LEU . 49.1 mt-30 -55.69 -63.93 1.01 Allowed 'General case' 0 C--N 1.332 -0.172 0 C-N-CA 120.506 -0.478 . . . . 0.0 110.32 177.52 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 70.4 m -56.37 -32.16 64.5 Favored 'General case' 0 C--O 1.232 0.179 0 CA-C-N 116.28 -0.418 . . . . 0.0 111.829 -178.804 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -55.85 -54.19 47.56 Favored 'General case' 0 CA--C 1.517 -0.31 0 CA-C-O 121.475 0.655 . . . . 0.0 110.498 178.511 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 27' ' ' MET . . . . . 0.562 ' CB ' ' HB ' ' A' ' 38' ' ' VAL . 21.5 mmt -79.07 -23.03 44.47 Favored 'General case' 0 C--N 1.319 -0.738 0 CA-C-N 115.314 -0.857 . . . . 0.0 110.686 -177.67 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 28' ' ' LEU . . . . . 0.742 ' HG ' ' O ' ' A' ' 24' ' ' GLN . 79.5 mt -64.83 -32.28 73.9 Favored 'General case' 0 C--N 1.324 -0.53 0 C-N-CA 120.302 -0.559 . . . . 0.0 109.555 175.025 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 19.3 mmm180 -84.72 -41.49 16.17 Favored 'General case' 0 C--N 1.332 -0.176 0 CA-C-N 116.075 -0.511 . . . . 0.0 111.37 178.266 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 30' ' ' PHE . . . . . 0.478 ' HE1' ' CE1' ' A' ' 16' ' ' PHE . 22.0 t80 -71.52 -56.41 5.95 Favored 'General case' 0 C--N 1.322 -0.591 0 CA-C-O 121.086 0.47 . . . . 0.0 111.196 179.925 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 31' ' ' ALA . . . . . 0.405 ' HB1' ' HB2' ' A' ' 36' ' ' MET . . . -68.9 -26.99 65.39 Favored 'General case' 0 N--CA 1.446 -0.652 0 CA-C-N 116.036 -0.529 . . . . 0.0 111.631 -172.208 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 9.4 pt-20 -63.12 -29.82 71.1 Favored 'General case' 0 N--CA 1.465 0.324 0 C-N-CA 120.086 -0.645 . . . . 0.0 110.15 178.412 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 33' ' ' GLN . . . . . . . . . . . . . 15.3 mm100 -78.97 -17.32 55.64 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 115.848 -0.615 . . . . 0.0 110.198 178.135 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -104.66 4.81 33.04 Favored 'General case' 0 C--N 1.325 -0.474 0 CA-C-N 115.69 -0.686 . . . . 0.0 111.285 -179.991 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 74.52 32.61 57.44 Favored Glycine 0 C--N 1.332 0.327 0 C-N-CA 121.304 -0.474 . . . . 0.0 112.754 178.961 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 36' ' ' MET . . . . . 0.405 ' HB2' ' HB1' ' A' ' 31' ' ' ALA . 70.9 mtp -140.57 176.05 9.1 Favored 'General case' 0 C--N 1.324 -0.526 0 CA-C-O 120.583 0.23 . . . . 0.0 110.504 -176.879 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 37' ' ' GLN . . . . . 0.509 ' O ' ' HA ' ' A' ' 81' ' ' GLN . 23.7 tt0 -146.35 149.87 34.62 Favored 'General case' 0 C--N 1.324 -0.506 0 N-CA-C 108.976 -0.75 . . . . 0.0 108.976 173.124 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 38' ' ' VAL . . . . . 0.562 ' HB ' ' CB ' ' A' ' 27' ' ' MET . 12.4 p -78.62 144.63 10.85 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 CA-C-O 120.777 0.322 . . . . 0.0 110.616 -179.103 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 39' ' ' PHE . . . . . . . . . . . . . 66.3 t80 -114.17 127.25 55.82 Favored 'General case' 0 C--N 1.324 -0.536 0 CA-C-N 116.031 -0.531 . . . . 0.0 110.43 -177.144 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 40' ' ' PHE . . . . . . . . . . . . . 38.2 m-85 -118.84 112.31 19.52 Favored 'General case' 0 C--N 1.324 -0.534 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.922 178.092 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 5.8 p-10 -94.36 -147.6 0.26 Allowed 'General case' 0 C--N 1.323 -0.558 0 N-CA-C 108.594 -0.891 . . . . 0.0 108.594 170.211 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 43.5 mt-10 -74.28 87.74 1.99 Allowed 'General case' 0 C--N 1.323 -0.554 0 CA-C-O 121.663 0.744 . . . . 0.0 109.903 176.12 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 43' ' ' VAL . . . . . . . . . . . . . 21.0 m -129.4 -165.23 0.44 Allowed 'Isoleucine or valine' 0 C--N 1.32 -0.681 0 CA-C-N 115.364 -0.835 . . . . 0.0 110.134 -176.106 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 17.3 ptpt -58.42 150.39 22.5 Favored 'General case' 0 C--N 1.326 -0.449 0 CA-C-O 121.092 0.473 . . . . 0.0 110.955 176.568 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 58.5 tp -62.27 128.07 34.33 Favored 'General case' 0 C--N 1.323 -0.575 0 CA-C-N 115.481 -0.781 . . . . 0.0 109.97 176.884 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 21.7 t70 -59.96 154.76 18.13 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-O 121.112 0.482 . . . . 0.0 110.536 177.904 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 123.75 -11.12 8.39 Favored Glycine 0 N--CA 1.446 -0.667 0 N-CA-C 109.948 -1.261 . . . . 0.0 109.948 -169.641 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 48' ' ' MET . . . . . . . . . . . . . 15.1 tpt -56.92 127.14 30.31 Favored 'General case' 0 N--CA 1.452 -0.36 0 CA-C-N 114.76 -0.72 . . . . 0.0 109.909 172.727 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 36.0 tt0 -75.76 130.63 38.95 Favored 'General case' 0 C--N 1.32 -0.712 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.525 -179.055 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -83.15 142.65 31.06 Favored 'General case' 0 C--N 1.32 -0.704 0 CA-C-N 115.859 -0.61 . . . . 0.0 109.726 176.394 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -70.66 152.89 43.37 Favored 'General case' 0 C--N 1.323 -0.568 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.655 -178.514 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -71.77 90.2 1.07 Allowed 'General case' 0 C--N 1.323 -0.56 0 CA-C-N 115.848 -0.614 . . . . 0.0 110.702 -179.03 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 64.1 tp -93.17 110.82 22.33 Favored 'General case' 0 C--N 1.323 -0.571 0 CA-C-N 115.855 -0.611 . . . . 0.0 110.781 -178.837 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 54' ' ' ASN . . . . . 0.467 ' HA ' ' O ' ' A' ' 16' ' ' PHE . 10.3 t30 -144.28 99.08 3.32 Favored 'General case' 0 C--N 1.32 -0.703 0 CA-C-N 115.98 -0.555 . . . . 0.0 109.809 178.456 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . 179.48 177.37 47.75 Favored Glycine 0 N--CA 1.446 -0.658 0 CA-C-N 115.811 -0.631 . . . . 0.0 111.715 -179.042 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 56' ' ' SER . . . . . 0.424 ' HA ' ' O ' ' A' ' 14' ' ' LYS . 28.2 p -112.38 111.09 21.69 Favored 'General case' 0 C--N 1.322 -0.613 0 CA-C-N 116.728 0.264 . . . . 0.0 110.934 179.535 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 57' ' ' MET . . . . . 0.528 ' HB2' ' OE1' ' A' ' 61' ' ' GLN . 22.4 ptt? -167.15 -165.53 0.71 Allowed 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.34 -0.391 . . . . 0.0 110.424 178.621 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 57.9 m -89.48 162.01 15.94 Favored 'General case' 0 C--N 1.326 -0.44 0 N-CA-C 111.962 0.356 . . . . 0.0 111.962 -175.067 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 59' ' ' VAL . . . . . . . . . . . . . 61.4 t -64.28 -38.7 83.21 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.217 0 CA-C-N 116.251 -0.432 . . . . 0.0 109.958 178.358 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 60' ' ' GLU . . . . . 0.485 ' O ' ' HG3' ' A' ' 64' ' ' ARG . 24.3 mm-40 -52.07 -34.96 46.04 Favored 'General case' 0 C--N 1.331 -0.204 0 CA-C-N 115.315 -0.857 . . . . 0.0 111.27 177.109 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 61' ' ' GLN . . . . . 0.528 ' OE1' ' HB2' ' A' ' 57' ' ' MET . 79.7 mt-30 -91.03 -40.84 11.41 Favored 'General case' 0 C--N 1.322 -0.63 0 CA-C-N 115.796 -0.638 . . . . 0.0 111.181 -178.061 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . -63.92 -50.16 62.81 Favored Glycine 0 C--O 1.226 -0.354 0 C-N-CA 121.135 -0.555 . . . . 0.0 112.677 -178.633 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 63' ' ' LEU . . . . . 0.46 ' CD1' HD11 ' A' ' 67' ' ' ILE . 0.2 OUTLIER -56.02 -38.86 71.08 Favored 'General case' 0 C--N 1.328 -0.355 0 C-N-CA 122.74 0.416 . . . . 0.0 110.813 -176.478 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 64' ' ' ARG . . . . . 0.485 ' HG3' ' O ' ' A' ' 60' ' ' GLU . 35.8 mtp-105 -55.09 -60.34 3.52 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 115.677 -0.692 . . . . 0.0 111.27 178.102 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 65' ' ' ARG . . . . . 0.504 ' HA ' ' HA2' ' A' ' 69' ' ' GLY . 99.2 mtt180 -73.52 -30.76 63.3 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 115.716 -0.674 . . . . 0.0 111.247 -175.15 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 66' ' ' LEU . . . . . 0.508 HD11 HG21 ' A' ' 18' ' ' ILE . 20.2 tp -62.44 -36.22 81.72 Favored 'General case' 0 C--N 1.325 -0.499 0 CA-C-N 115.877 -0.601 . . . . 0.0 111.091 -177.2 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 67' ' ' ILE . . . . . 0.507 ' HB ' ' ND2' ' A' ' 111' ' ' ASN . 54.0 mt -90.21 -65.65 0.97 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 C-N-CA 120.524 -0.47 . . . . 0.0 110.874 179.038 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . -117.53 -53.96 0.31 Allowed Glycine 0 N--CA 1.45 -0.399 0 C-N-CA 120.96 -0.638 . . . . 0.0 113.612 -177.177 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 69' ' ' GLY . . . . . 0.504 ' HA2' ' HA ' ' A' ' 65' ' ' ARG . . . 103.24 4.61 47.2 Favored Glycine 0 N--CA 1.45 -0.413 0 N-CA-C 110.571 -1.012 . . . . 0.0 110.571 -168.199 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 70' ' ' ASN . . . . . . . . . . . . . 2.7 m-20 -100.59 159.33 29.95 Favored Pre-proline 0 C--N 1.327 -0.376 0 CA-C-N 115.072 -0.564 . . . . 0.0 110.284 -177.299 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 71' ' ' PRO . . . . . 0.459 ' HB3' ' HG ' ' A' ' 105' ' ' LEU . 12.5 Cg_exo -70.41 109.34 2.41 Favored 'Trans proline' 0 C--N 1.344 0.335 0 C-N-CA 122.637 2.224 . . . . 0.0 111.019 173.062 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 72' ' ' VAL . . . . . 0.53 HG11 ' ND2' ' A' ' 111' ' ' ASN . 11.6 p -149.4 161.77 4.75 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.555 0 N-CA-C 109.575 -0.528 . . . . 0.0 109.575 -172.226 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 73' ' ' ALA . . . . . 0.501 ' CB ' HD12 ' A' ' 87' ' ' LEU . . . -110.61 118.8 37.2 Favored 'General case' 0 N--CA 1.444 -0.737 0 CA-C-O 121.09 0.471 . . . . 0.0 110.256 -176.635 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 74' ' ' PHE . . . . . 0.413 ' HB3' HD12 ' A' ' 84' ' ' LEU . 13.9 p90 -120.39 119.29 32.65 Favored 'General case' 0 C--N 1.314 -0.977 0 N-CA-C 109.521 -0.548 . . . . 0.0 109.521 179.499 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 75' ' ' ARG . . . . . . . . . . . . . 87.2 mtm180 -87.42 109.06 19.3 Favored 'General case' 0 C--N 1.316 -0.873 0 CA-C-N 115.704 -0.68 . . . . 0.0 110.963 -174.997 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 76' ' ' LEU . . . . . . . . . . . . . 82.0 mt -85.38 98.21 10.43 Favored 'General case' 0 C--N 1.32 -0.675 0 CA-C-N 115.365 -0.834 . . . . 0.0 108.824 174.4 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 77' ' ' GLN . . . . . . . . . . . . . 24.0 mt-30 -76.78 140.69 67.64 Favored Pre-proline 0 C--N 1.322 -0.62 0 CA-C-N 115.957 -0.565 . . . . 0.0 110.511 -176.273 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 78' ' ' PRO . . . . . . . . . . . . . 34.2 Cg_endo -65.48 -6.68 14.1 Favored 'Trans proline' 0 C--N 1.345 0.384 0 C-N-CA 123.162 2.575 . . . . 0.0 111.791 176.783 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 79' ' ' GLN . . . . . . . . . . . . . 77.7 mt-30 -80.77 -2.92 49.05 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 115.669 -0.696 . . . . 0.0 109.826 173.55 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . 84.05 38.88 9.74 Favored Glycine 0 N--CA 1.445 -0.724 0 CA-C-N 115.565 -0.743 . . . . 0.0 112.258 179.53 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 81' ' ' GLN . . . . . 0.509 ' HA ' ' O ' ' A' ' 37' ' ' GLN . 29.0 mm-40 -128.85 140.6 51.62 Favored 'General case' 0 C--N 1.326 -0.428 0 CA-C-N 116.717 0.258 . . . . 0.0 110.85 -178.133 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 82' ' ' ILE . . . . . 0.414 ' HB ' ' HA ' ' A' ' 38' ' ' VAL . 52.2 mt -108.41 111.71 37.17 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.428 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.246 177.808 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 83' ' ' VAL . . . . . . . . . . . . . 49.0 t -117.86 112.09 37.12 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 CA-C-N 116.432 -0.349 . . . . 0.0 110.829 -179.371 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 84' ' ' LEU . . . . . 0.413 HD12 ' HB3' ' A' ' 74' ' ' PHE . 26.7 tp -78.28 142.46 37.79 Favored 'General case' 0 C--N 1.324 -0.511 0 N-CA-C 109.407 -0.59 . . . . 0.0 109.407 176.847 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 85' ' ' SER . . . . . . . . . . . . . 41.2 m -152.08 172.57 16.11 Favored 'General case' 0 N--CA 1.448 -0.571 0 CA-C-O 121.049 0.452 . . . . 0.0 110.458 -176.802 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 86' ' ' ARG . . . . . . . . . . . . . 48.2 ttp180 -122.89 133.42 54.41 Favored 'General case' 0 C--N 1.318 -0.766 0 N-CA-C 109.177 -0.675 . . . . 0.0 109.177 177.709 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 87' ' ' LEU . . . . . 0.501 HD12 ' CB ' ' A' ' 73' ' ' ALA . 15.0 mt -133.75 122.54 16.68 Favored Pre-proline 0 C--N 1.317 -0.826 0 CA-C-N 116.383 -0.372 . . . . 0.0 111.015 -175.557 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 88' ' ' PRO . . . . . 0.445 ' HD3' ' HA ' ' A' ' 87' ' ' LEU . 6.5 Cg_exo -73.99 116.76 4.76 Favored 'Trans proline' 0 N--CA 1.458 -0.597 0 C-N-CA 122.872 2.381 . . . . 0.0 111.174 176.299 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 89' ' ' THR . . . . . 0.407 HG21 ' HA ' ' A' ' 103' ' ' THR . 26.5 m -76.13 89.97 3.07 Favored 'General case' 0 C--N 1.319 -0.72 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.369 -179.667 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 90' ' ' ALA . . . . . . . . . . . . . . . -67.21 107.35 2.32 Favored 'General case' 0 C--N 1.323 -0.549 0 CA-C-O 121.091 0.472 . . . . 0.0 109.9 177.362 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 91' ' ' ASN . . . . . . . . . . . . . 47.1 t-20 -106.34 -50.61 3.11 Favored 'General case' 0 C--N 1.321 -0.666 0 CA-C-N 115.778 -0.646 . . . . 0.0 109.6 -176.766 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 92' ' ' GLY . . . . . . . . . . . . . . . -75.21 1.3 56.68 Favored Glycine 0 N--CA 1.452 -0.283 0 CA-C-N 115.836 -0.62 . . . . 0.0 112.226 179.711 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 26.0 t70 -71.79 -26.97 62.64 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-O 121.157 0.503 . . . . 0.0 110.139 176.727 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 94' ' ' GLY . . . . . . . . . . . . . . . 95.03 5.01 61.13 Favored Glycine 0 N--CA 1.45 -0.391 0 C-N-CA 120.903 -0.665 . . . . 0.0 112.406 179.731 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 95' ' ' GLY . . . . . . . . . . . . . . . -62.16 123.5 31.37 Favored Glycine 0 N--CA 1.45 -0.382 0 C-N-CA 121.065 -0.588 . . . . 0.0 112.425 -179.864 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 96' ' ' ALA . . . . . . . . . . . . . . . -96.65 116.64 29.46 Favored 'General case' 0 C--N 1.323 -0.569 0 N-CA-C 110.59 -0.152 . . . . 0.0 110.59 -178.842 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 97' ' ' LEU . . . . . . . . . . . . . 94.3 mt 57.88 29.69 17.94 Favored 'General case' 0 N--CA 1.465 0.304 0 O-C-N 123.585 0.553 . . . . 0.0 111.155 -178.733 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 98' ' ' ALA . . . . . . . . . . . . . . . -105.01 -42.83 5.21 Favored 'General case' 0 C--N 1.326 -0.451 0 CA-C-N 115.725 -0.67 . . . . 0.0 110.179 179.954 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 99' ' ' LEU . . . . . . . . . . . . . 3.2 mm? -116.25 16.75 15.82 Favored 'General case' 0 C--N 1.324 -0.512 0 CA-C-N 115.555 -0.748 . . . . 0.0 109.663 177.682 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 100' ' ' ASP . . . . . 0.523 ' O ' HG22 ' A' ' 103' ' ' THR . 13.1 t70 -60.29 -42.6 95.83 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 115.424 -0.807 . . . . 0.0 111.752 -176.127 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 23.3 m -70.9 -16.37 62.68 Favored 'General case' 0 C--N 1.322 -0.599 0 CA-C-N 116.383 -0.371 . . . . 0.0 111.18 -178.259 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 102' ' ' LEU . . . . . . . . . . . . . 91.7 mt -101.75 -10.57 19.83 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.543 -0.299 . . . . 0.0 111.683 -177.897 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 103' ' ' THR . . . . . 0.523 HG22 ' O ' ' A' ' 100' ' ' ASP . 7.0 t -85.6 -31.65 22.5 Favored 'General case' 0 C--O 1.234 0.272 0 C-N-CA 120.439 -0.504 . . . . 0.0 110.157 179.051 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 104' ' ' VAL . . . . . . . . . . . . . 5.3 m -85.53 86.94 2.44 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.328 0 CA-C-O 121.667 0.746 . . . . 0.0 109.692 174.629 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 105' ' ' LEU . . . . . 0.459 ' HG ' ' HB3' ' A' ' 71' ' ' PRO . 62.6 tp 178.7 -32.67 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.523 0 CA-C-N 114.897 -1.047 . . . . 0.0 109.519 -174.004 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 106' ' ' GLY . . . . . . . . . . . . . . . 111.4 -137.76 14.51 Favored Glycine 0 N--CA 1.447 -0.629 0 N-CA-C 110.948 -0.861 . . . . 0.0 110.948 -177.919 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 107' ' ' ALA . . . . . . . . . . . . . . . -85.39 109.58 18.52 Favored 'General case' 0 C--N 1.322 -0.595 0 N-CA-C 109.991 -0.374 . . . . 0.0 109.991 176.384 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 108' ' ' GLY . . . . . . . . . . . . . . . -71.87 108.41 2.48 Favored Glycine 0 N--CA 1.448 -0.547 0 C-N-CA 120.911 -0.661 . . . . 0.0 112.366 -179.038 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 109' ' ' GLY . . . . . . . . . . . . . . . -126.34 -149.0 7.23 Favored Glycine 0 N--CA 1.444 -0.827 0 N-CA-C 111.513 -0.635 . . . . 0.0 111.513 -179.646 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 110' ' ' ASN . . . . . 0.498 ' HA ' HG23 ' A' ' 72' ' ' VAL . 3.5 p-10 -122.79 147.26 46.73 Favored 'General case' 0 C--N 1.321 -0.667 0 CA-C-O 120.696 0.284 . . . . 0.0 110.333 178.372 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 111' ' ' ASN . . . . . 0.53 ' ND2' HG11 ' A' ' 72' ' ' VAL . 40.3 m-20 -63.44 134.69 56.09 Favored 'General case' 0 C--N 1.328 -0.353 0 N-CA-C 109.019 -0.734 . . . . 0.0 109.019 172.185 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 112' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.248 0.996 0 O-C-N 123.844 0.715 . . . . 0.0 111.864 -175.055 . . . . . . . . 0 0 . 1 . 007 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 16.5 m . . . . . 0 N--CA 1.473 0.709 0 N-CA-C 110.267 -0.272 . . . . 0.0 110.267 . . . . . . . . . 0 0 . 1 . 007 nuclear build full ' A' A ' 7' ' ' MET . . . . . . . . . . . . . 14.4 tpt -151.05 109.45 3.78 Favored 'General case' 0 C--N 1.324 -0.509 0 CA-C-O 120.92 0.39 . . . . 0.0 110.059 179.517 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -66.05 -35.87 81.71 Favored 'General case' 0 C--N 1.326 -0.451 0 CA-C-N 115.998 -0.546 . . . . 0.0 111.379 -177.583 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 9' ' ' GLN . . . . . . . . . . . . . 15.4 mm100 -83.09 11.66 6.07 Favored 'General case' 0 C--N 1.326 -0.453 0 CA-C-N 116.3 -0.409 . . . . 0.0 111.846 -178.589 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -95.25 20.07 9.76 Favored 'General case' 0 C--N 1.326 -0.446 0 CA-C-O 120.626 0.25 . . . . 0.0 110.886 179.312 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . 66.84 84.17 0.16 Allowed 'General case' 0 C--O 1.232 0.174 0 CA-C-N 115.598 -0.728 . . . . 0.0 111.248 179.708 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 26.9 tp60 -65.08 110.1 2.39 Favored 'General case' 0 C--N 1.324 -0.537 0 CA-C-N 115.577 -0.738 . . . . 0.0 110.365 178.867 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 85.7 mt-30 -89.79 146.06 24.74 Favored 'General case' 0 C--N 1.323 -0.583 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.575 178.153 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 14' ' ' LYS . . . . . 0.5 ' HB2' ' CZ ' ' A' ' 16' ' ' PHE . 35.0 mmtp -130.72 156.85 44.25 Favored 'General case' 0 C--N 1.324 -0.512 0 N-CA-C 109.614 -0.513 . . . . 0.0 109.614 177.073 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 15' ' ' ASN . . . . . . . . . . . . . 81.8 m-20 -81.79 99.75 9.16 Favored 'General case' 0 C--N 1.325 -0.494 0 CA-C-N 116.336 -0.393 . . . . 0.0 110.336 -179.254 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 16' ' ' PHE . . . . . 0.5 ' CZ ' ' HB2' ' A' ' 14' ' ' LYS . 47.0 m-85 -104.64 141.06 37.1 Favored 'General case' 0 C--N 1.324 -0.514 0 CA-C-O 120.964 0.411 . . . . 0.0 110.687 -179.632 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 5.4 t30 -150.98 98.71 2.62 Favored 'General case' 0 C--N 1.323 -0.557 0 CA-C-N 116.002 -0.544 . . . . 0.0 109.733 177.85 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 18' ' ' ILE . . . . . . . . . . . . . 35.6 mt -128.37 117.46 45.31 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.533 0 CA-C-O 120.755 0.312 . . . . 0.0 110.894 -176.07 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -64.32 142.15 58.52 Favored 'General case' 0 C--N 1.327 -0.413 0 N-CA-C 109.24 -0.652 . . . . 0.0 109.24 172.328 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -63.51 103.99 0.59 Allowed 'General case' 0 C--N 1.328 -0.367 0 CA-C-O 121.356 0.598 . . . . 0.0 111.088 -175.318 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 21' ' ' GLN . . . . . 0.417 ' HB3' ' HD2' ' A' ' 22' ' ' PRO . 79.3 mt-30 -103.92 173.72 3.22 Favored Pre-proline 0 C--N 1.321 -0.642 0 CA-C-N 115.032 -0.985 . . . . 0.0 109.748 176.468 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 22' ' ' PRO . . . . . 0.472 ' HA ' ' O ' ' A' ' 48' ' ' MET . 47.5 Cg_exo -57.57 135.44 69.61 Favored 'Trans proline' 0 N--CA 1.46 -0.454 0 C-N-CA 121.559 1.506 . . . . 0.0 110.22 167.097 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 54.8 tp -48.59 -44.41 36.9 Favored 'General case' 0 C--O 1.237 0.423 0 N-CA-C 112.304 0.483 . . . . 0.0 112.304 -168.931 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 24' ' ' GLN . . . . . 0.455 ' O ' ' HB2' ' A' ' 28' ' ' LEU . 49.4 mt-30 -61.61 -33.33 73.73 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.596 -179.493 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 25' ' ' SER . . . . . 0.404 ' O ' ' HG2' ' A' ' 29' ' ' ARG . 32.7 t -87.87 -28.1 21.79 Favored 'General case' 0 C--N 1.325 -0.486 0 CA-C-O 120.91 0.386 . . . . 0.0 110.247 179.444 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -61.76 -56.4 19.96 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 115.944 -0.571 . . . . 0.0 110.872 179.93 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 27' ' ' MET . . . . . 0.759 ' SD ' ' HB ' ' A' ' 38' ' ' VAL . 35.7 mtt -71.52 -24.65 62.0 Favored 'General case' 0 C--O 1.217 -0.644 0 CA-C-N 116.268 -0.423 . . . . 0.0 110.456 178.954 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 28' ' ' LEU . . . . . 0.455 ' HB2' ' O ' ' A' ' 24' ' ' GLN . 9.6 tt -56.84 -36.09 69.61 Favored 'General case' 0 C--N 1.319 -0.73 0 N-CA-C 109.649 -0.5 . . . . 0.0 109.649 176.1 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 29' ' ' ARG . . . . . 0.404 ' HG2' ' O ' ' A' ' 25' ' ' SER . 29.2 mmm180 -70.37 -55.72 8.42 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 115.947 -0.569 . . . . 0.0 111.686 179.888 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 21.0 t80 -80.4 -49.91 10.83 Favored 'General case' 0 C--N 1.327 -0.397 0 N-CA-C 112.176 0.436 . . . . 0.0 112.176 -175.56 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -65.77 -26.78 67.87 Favored 'General case' 0 C--N 1.323 -0.584 0 CA-C-N 116.352 -0.386 . . . . 0.0 111.994 -170.444 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 7.5 pt-20 -62.21 -32.14 72.77 Favored 'General case' 0 N--CA 1.465 0.304 0 C-N-CA 120.065 -0.654 . . . . 0.0 110.374 176.422 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 33' ' ' GLN . . . . . . . . . . . . . 48.4 mt-30 -77.65 -14.25 59.68 Favored 'General case' 0 C--N 1.331 -0.239 0 CA-C-O 121.324 0.583 . . . . 0.0 109.855 178.373 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -106.88 5.93 28.86 Favored 'General case' 0 C--N 1.325 -0.489 0 CA-C-N 115.622 -0.717 . . . . 0.0 110.841 178.764 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 67.9 32.96 78.43 Favored Glycine 0 CA--C 1.519 0.323 0 CA-C-N 116.004 -0.543 . . . . 0.0 112.796 178.09 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 36' ' ' MET . . . . . . . . . . . . . 73.8 mtm -139.3 175.04 9.9 Favored 'General case' 0 C--N 1.323 -0.569 0 CA-C-O 120.776 0.322 . . . . 0.0 110.612 -178.866 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 37' ' ' GLN . . . . . . . . . . . . . 54.4 tt0 -150.8 158.41 44.12 Favored 'General case' 0 C--N 1.322 -0.608 0 N-CA-C 108.596 -0.89 . . . . 0.0 108.596 177.004 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 38' ' ' VAL . . . . . 0.759 ' HB ' ' SD ' ' A' ' 27' ' ' MET . 2.9 p -77.23 127.67 38.11 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.395 0 CA-C-O 121.212 0.529 . . . . 0.0 110.936 -176.092 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 39' ' ' PHE . . . . . . . . . . . . . 37.3 t80 -119.2 139.54 51.68 Favored 'General case' 0 C--N 1.324 -0.514 0 CA-C-N 115.582 -0.735 . . . . 0.0 109.508 -178.61 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 40' ' ' PHE . . . . . . . . . . . . . 25.3 p90 -143.25 131.77 22.34 Favored 'General case' 0 C--N 1.32 -0.677 0 CA-C-O 121.114 0.483 . . . . 0.0 110.601 -178.454 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 6.3 m-20 -82.36 -70.6 0.54 Allowed 'General case' 0 CA--C 1.515 -0.396 0 CA-C-N 115.53 -0.759 . . . . 0.0 110.57 -179.721 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 35.7 mt-10 -115.96 86.58 2.51 Favored 'General case' 0 C--N 1.319 -0.736 0 CA-C-N 115.801 -0.636 . . . . 0.0 109.838 -179.333 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 43' ' ' VAL . . . . . . . . . . . . . 98.4 t -145.24 109.99 1.04 Allowed 'Isoleucine or valine' 0 C--N 1.323 -0.568 0 CA-C-N 115.357 -0.838 . . . . 0.0 109.255 178.787 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 25.9 ttpp -125.9 88.69 2.9 Favored 'General case' 0 C--N 1.321 -0.637 0 CA-C-O 121.223 0.535 . . . . 0.0 110.062 -179.356 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 4.3 tt -140.97 99.82 3.68 Favored 'General case' 0 C--N 1.32 -0.68 0 N-CA-C 108.192 -1.04 . . . . 0.0 108.192 176.94 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 17.1 m-20 -64.01 116.39 5.83 Favored 'General case' 0 C--N 1.322 -0.602 0 CA-C-N 115.695 -0.684 . . . . 0.0 110.814 -176.224 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 86.16 22.06 49.91 Favored Glycine 0 N--CA 1.448 -0.554 0 C-N-CA 120.964 -0.636 . . . . 0.0 112.554 179.151 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 48' ' ' MET . . . . . 0.472 ' O ' ' HA ' ' A' ' 22' ' ' PRO . 27.6 ttt -50.42 120.07 4.28 Favored 'General case' 0 N--CA 1.465 0.302 0 C-N-CA 122.687 0.395 . . . . 0.0 110.905 -179.902 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 28.5 tt0 -106.0 147.56 28.71 Favored 'General case' 0 C--N 1.324 -0.519 0 CA-C-O 120.804 0.335 . . . . 0.0 110.742 -174.904 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -88.21 -169.42 2.56 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-N 116.006 -0.543 . . . . 0.0 110.406 177.198 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -105.36 174.46 5.87 Favored 'General case' 0 C--N 1.325 -0.499 0 CA-C-O 120.844 0.354 . . . . 0.0 110.76 -178.95 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -77.17 93.41 3.92 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.078 -0.51 . . . . 0.0 111.077 -179.714 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 53' ' ' LEU . . . . . 0.421 HD13 ' C ' ' A' ' 53' ' ' LEU . 3.4 tm? -82.99 108.64 16.45 Favored 'General case' 0 C--N 1.324 -0.522 0 CA-C-N 115.79 -0.641 . . . . 0.0 110.001 179.318 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 54' ' ' ASN . . . . . . . . . . . . . 17.3 m120 -144.22 99.09 3.32 Favored 'General case' 0 C--N 1.325 -0.499 0 N-CA-C 109.57 -0.53 . . . . 0.0 109.57 176.53 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . 178.86 159.84 23.83 Favored Glycine 0 N--CA 1.449 -0.436 0 C-N-CA 119.893 -1.146 . . . . 0.0 113.222 -179.771 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 22.8 t -102.91 99.64 9.57 Favored 'General case' 0 C--N 1.323 -0.577 0 N-CA-C 109.174 -0.676 . . . . 0.0 109.174 175.024 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 57' ' ' MET . . . . . . . . . . . . . 18.0 ptp -151.21 -175.99 5.38 Favored 'General case' 0 C--N 1.323 -0.546 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.518 -175.558 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 15.2 m -87.35 177.65 7.07 Favored 'General case' 0 C--N 1.322 -0.595 0 C-N-CA 121.229 -0.188 . . . . 0.0 110.635 -177.881 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 59' ' ' VAL . . . . . . . . . . . . . 9.7 p -63.03 -39.14 84.08 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.386 0 CA-C-O 120.96 0.41 . . . . 0.0 110.419 -178.143 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 60' ' ' GLU . . . . . 0.564 ' HA ' ' CZ ' ' A' ' 74' ' ' PHE . 2.6 mp0 -58.05 -59.51 5.17 Favored 'General case' 0 C--N 1.325 -0.48 0 CA-C-N 115.515 -0.766 . . . . 0.0 111.378 -179.988 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 61' ' ' GLN . . . . . . . . . . . . . 82.3 mm-40 -68.85 -35.71 77.27 Favored 'General case' 0 C--N 1.324 -0.543 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.462 -177.905 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . -61.6 -55.41 28.94 Favored Glycine 0 N--CA 1.445 -0.736 0 CA-C-N 115.906 -0.588 . . . . 0.0 112.321 -179.345 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 3.0 mm? -58.68 -40.7 84.29 Favored 'General case' 0 C--N 1.329 -0.322 0 N-CA-C 111.825 0.305 . . . . 0.0 111.825 -177.5 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 64' ' ' ARG . . . . . . . . . . . . . 82.7 mtt180 -63.48 -41.58 98.57 Favored 'General case' 0 C--N 1.325 -0.476 0 CA-C-N 116.66 -0.246 . . . . 0.0 111.06 -178.877 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 65' ' ' ARG . . . . . 0.561 ' HA ' ' HA2' ' A' ' 69' ' ' GLY . 87.8 mtt180 -80.2 -27.27 38.88 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-O 120.889 0.375 . . . . 0.0 111.062 179.176 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 6.7 tt -66.24 -48.95 68.89 Favored 'General case' 0 C--N 1.325 -0.483 0 CA-C-N 115.456 -0.793 . . . . 0.0 110.914 -178.665 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 67' ' ' ILE . . . . . 0.482 HD13 HD12 ' A' ' 84' ' ' LEU . 44.1 mt -79.52 -63.58 1.1 Allowed 'Isoleucine or valine' 0 C--N 1.323 -0.587 0 CA-C-N 116.13 -0.486 . . . . 0.0 111.584 -172.98 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 68' ' ' GLY . . . . . 0.406 ' HA3' ' OD1' ' A' ' 111' ' ' ASN . . . -114.48 -42.74 0.8 Allowed Glycine 0 N--CA 1.451 -0.333 0 C-N-CA 120.514 -0.851 . . . . 0.0 113.359 -176.869 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 69' ' ' GLY . . . . . 0.561 ' HA2' ' HA ' ' A' ' 65' ' ' ARG . . . 105.78 -8.23 42.8 Favored Glycine 0 N--CA 1.448 -0.546 0 C-N-CA 121.033 -0.603 . . . . 0.0 111.962 -171.126 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 70' ' ' ASN . . . . . 0.413 ' HA ' ' HD3' ' A' ' 71' ' ' PRO . 12.1 m120 -100.6 156.41 35.23 Favored Pre-proline 0 C--N 1.328 -0.341 0 CA-C-O 120.659 0.266 . . . . 0.0 110.497 -179.353 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 71' ' ' PRO . . . . . 0.413 ' HD3' ' HA ' ' A' ' 70' ' ' ASN . 2.7 Cg_exo -75.67 99.34 1.26 Allowed 'Trans proline' 0 N--CA 1.462 -0.382 0 C-N-CA 122.812 2.342 . . . . 0.0 111.879 177.837 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 72' ' ' VAL . . . . . 0.404 HG21 ' O ' ' A' ' 111' ' ' ASN . 2.3 t -138.57 160.73 31.01 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.543 0 N-CA-C 107.515 -1.291 . . . . 0.0 107.515 179.189 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -105.96 119.59 39.58 Favored 'General case' 0 N--CA 1.445 -0.693 0 C-N-CA 120.454 -0.498 . . . . 0.0 111.402 -166.019 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 74' ' ' PHE . . . . . 0.564 ' CZ ' ' HA ' ' A' ' 60' ' ' GLU . 21.2 p90 -110.19 146.38 35.65 Favored 'General case' 0 C--N 1.314 -0.948 0 N-CA-C 109.238 -0.653 . . . . 0.0 109.238 178.237 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 75' ' ' ARG . . . . . 0.421 HH11 ' HD2' ' A' ' 75' ' ' ARG . 53.5 mtm180 -119.32 111.46 18.21 Favored 'General case' 0 C--N 1.315 -0.91 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.319 -177.048 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 76' ' ' LEU . . . . . . . . . . . . . 51.3 mt -78.04 99.2 6.01 Favored 'General case' 0 C--N 1.326 -0.446 0 N-CA-C 109.391 -0.596 . . . . 0.0 109.391 178.507 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 77' ' ' GLN . . . . . 0.447 ' C ' ' H ' ' A' ' 79' ' ' GLN . 85.4 mm-40 -78.53 135.94 60.25 Favored Pre-proline 0 C--N 1.32 -0.69 0 CA-C-N 115.905 -0.589 . . . . 0.0 110.832 -176.004 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 78' ' ' PRO . . . . . 0.41 ' HD3' ' HA ' ' A' ' 77' ' ' GLN . 17.0 Cg_exo -68.11 9.4 0.38 Allowed 'Trans proline' 0 C--N 1.347 0.499 0 C-N-CA 123.271 2.648 . . . . 0.0 112.034 175.33 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 79' ' ' GLN . . . . . 0.447 ' H ' ' C ' ' A' ' 77' ' ' GLN . 79.4 mt-30 -99.26 11.89 37.77 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-N 115.511 -0.768 . . . . 0.0 109.85 179.094 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . 76.28 35.5 42.68 Favored Glycine 0 N--CA 1.451 -0.312 0 CA-C-N 115.855 -0.611 . . . . 0.0 112.047 -177.936 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 81' ' ' GLN . . . . . . . . . . . . . 75.7 mt-30 -135.6 127.09 28.7 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-O 120.775 0.322 . . . . 0.0 111.742 -173.949 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 82' ' ' ILE . . . . . . . . . . . . . 48.2 mt -102.82 108.85 25.15 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.705 0 N-CA-C 109.0 -0.741 . . . . 0.0 109.0 171.06 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 83' ' ' VAL . . . . . . . . . . . . . 18.9 m -117.06 141.66 34.41 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.603 0 CA-C-N 116.337 -0.392 . . . . 0.0 110.63 -179.552 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 84' ' ' LEU . . . . . 0.54 HD23 ' N ' ' A' ' 85' ' ' SER . 2.4 tt -107.55 137.66 45.17 Favored 'General case' 0 C--N 1.318 -0.799 0 N-CA-C 109.271 -0.64 . . . . 0.0 109.271 -179.175 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 85' ' ' SER . . . . . 0.54 ' N ' HD23 ' A' ' 84' ' ' LEU . 14.6 m -126.27 138.71 53.63 Favored 'General case' 0 N--CA 1.444 -0.769 0 N-CA-C 109.911 -0.403 . . . . 0.0 109.911 -177.618 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 86' ' ' ARG . . . . . . . . . . . . . 15.3 tpp180 -79.86 73.2 6.63 Favored 'General case' 0 C--N 1.324 -0.527 0 CA-C-O 121.654 0.74 . . . . 0.0 109.576 -179.18 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 87' ' ' LEU . . . . . . . . . . . . . 37.2 mt -112.53 140.76 24.19 Favored Pre-proline 0 C--N 1.32 -0.704 0 CA-C-N 114.991 -1.004 . . . . 0.0 110.108 -176.253 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 88' ' ' PRO . . . . . . . . . . . . . 27.9 Cg_endo -63.37 106.12 0.55 Allowed 'Trans proline' 0 N--CA 1.464 -0.246 0 C-N-CA 122.67 2.247 . . . . 0.0 111.748 177.866 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 89' ' ' THR . . . . . . . . . . . . . 25.5 m -73.66 102.12 3.84 Favored 'General case' 0 C--N 1.322 -0.601 0 CA-C-N 115.897 -0.592 . . . . 0.0 110.273 -179.789 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 90' ' ' ALA . . . . . . . . . . . . . . . -89.72 108.49 19.71 Favored 'General case' 0 C--N 1.325 -0.49 0 CA-C-N 116.07 -0.514 . . . . 0.0 111.025 -178.269 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 91' ' ' ASN . . . . . . . . . . . . . 3.2 p-10 -131.35 -25.35 2.19 Favored 'General case' 0 C--N 1.321 -0.649 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.153 175.375 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 92' ' ' GLY . . . . . . . . . . . . . . . -62.99 -42.36 99.69 Favored Glycine 0 N--CA 1.45 -0.414 0 C-N-CA 121.028 -0.606 . . . . 0.0 112.416 -176.793 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 11.2 p-10 -83.35 5.53 23.07 Favored 'General case' 0 C--N 1.324 -0.51 0 CA-C-O 120.94 0.4 . . . . 0.0 110.492 -179.29 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 94' ' ' GLY . . . . . . . . . . . . . . . 95.45 -9.72 69.22 Favored Glycine 0 N--CA 1.447 -0.592 0 C-N-CA 120.983 -0.627 . . . . 0.0 111.838 -177.88 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 95' ' ' GLY . . . . . . . . . . . . . . . 82.7 62.12 1.89 Allowed Glycine 0 N--CA 1.446 -0.69 0 C-N-CA 120.776 -0.726 . . . . 0.0 112.124 179.809 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 96' ' ' ALA . . . . . . . . . . . . . . . -62.83 145.83 54.1 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.96 0.409 . . . . 0.0 110.552 177.523 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 97' ' ' LEU . . . . . . . . . . . . . 2.8 mm? -77.77 13.5 1.32 Allowed 'General case' 0 C--N 1.326 -0.414 0 CA-C-N 116.132 -0.485 . . . . 0.0 111.334 -175.551 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 98' ' ' ALA . . . . . . . . . . . . . . . -75.3 -21.2 58.65 Favored 'General case' 0 C--N 1.325 -0.482 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.464 177.116 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 99' ' ' LEU . . . . . 0.454 ' O ' HD22 ' A' ' 102' ' ' LEU . 71.0 mt -105.46 16.84 24.88 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-N 116.007 -0.542 . . . . 0.0 111.076 179.739 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 100' ' ' ASP . . . . . . . . . . . . . 21.9 t70 -68.7 -18.05 64.18 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 121.492 0.663 . . . . 0.0 110.496 179.62 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 4.8 p -70.45 0.71 6.11 Favored 'General case' 0 C--N 1.322 -0.589 0 CA-C-N 115.627 -0.715 . . . . 0.0 111.663 178.494 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 102' ' ' LEU . . . . . 0.454 HD22 ' O ' ' A' ' 99' ' ' LEU . 1.7 pt? -67.11 -21.26 65.86 Favored 'General case' 0 CA--C 1.531 0.213 0 CA-C-O 120.688 0.28 . . . . 0.0 111.194 -179.593 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 103' ' ' THR . . . . . . . . . . . . . 19.0 m -62.89 -40.45 97.6 Favored 'General case' 0 C--O 1.235 0.307 0 CA-C-O 121.161 0.505 . . . . 0.0 110.93 179.903 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 104' ' ' VAL . . . . . . . . . . . . . 27.9 m -97.27 154.07 3.75 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.634 0 CA-C-N 115.962 -0.563 . . . . 0.0 109.584 177.475 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 105' ' ' LEU . . . . . 0.461 ' O ' ' HG ' ' A' ' 105' ' ' LEU . 46.1 tp 61.25 28.48 18.03 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-O 121.526 0.679 . . . . 0.0 109.595 -177.17 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 106' ' ' GLY . . . . . . . . . . . . . . . -67.45 123.51 20.22 Favored Glycine 0 N--CA 1.447 -0.599 0 CA-C-N 115.458 -0.792 . . . . 0.0 112.558 -176.684 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 107' ' ' ALA . . . . . . . . . . . . . . . -81.73 109.75 16.42 Favored 'General case' 0 C--N 1.323 -0.576 0 N-CA-C 110.259 -0.274 . . . . 0.0 110.259 177.92 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 108' ' ' GLY . . . . . . . . . . . . . . . -66.9 141.52 40.07 Favored Glycine 0 N--CA 1.449 -0.494 0 C-N-CA 120.786 -0.721 . . . . 0.0 112.116 179.077 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 109' ' ' GLY . . . . . . . . . . . . . . . -169.46 -171.84 35.5 Favored Glycine 0 N--CA 1.446 -0.659 0 C-N-CA 120.71 -0.757 . . . . 0.0 111.872 -179.213 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 110' ' ' ASN . . . . . . . . . . . . . 26.4 p-10 -99.94 -171.12 1.99 Allowed 'General case' 0 C--N 1.322 -0.63 0 N-CA-C 110.136 -0.32 . . . . 0.0 110.136 -179.6 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 111' ' ' ASN . . . . . 0.406 ' OD1' ' HA3' ' A' ' 68' ' ' GLY . 18.2 t-20 -90.16 -55.68 3.51 Favored 'General case' 0 C--N 1.324 -0.512 0 CA-C-O 121.226 0.536 . . . . 0.0 110.097 -179.837 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 112' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.25 1.128 0 CA-C-O 118.661 -0.685 . . . . 0.0 110.778 -178.636 . . . . . . . . 0 0 . 1 . 008 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 34.5 t . . . . . 0 N--CA 1.476 0.829 0 CA-C-O 120.839 0.352 . . . . 0.0 110.198 . . . . . . . . . 0 0 . 1 . 008 nuclear build full ' A' A ' 7' ' ' MET . . . . . . . . . . . . . 1.3 tmt? -128.06 -62.19 1.07 Allowed 'General case' 0 C--N 1.324 -0.514 0 N-CA-C 109.648 -0.501 . . . . 0.0 109.648 177.985 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -68.17 -36.05 79.0 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.06 -0.518 . . . . 0.0 110.88 -178.882 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 9' ' ' GLN . . . . . . . . . . . . . 87.0 mm-40 -76.69 -29.9 56.48 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 116.277 -0.42 . . . . 0.0 110.465 178.626 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -74.67 -32.37 62.21 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 115.985 -0.552 . . . . 0.0 110.45 178.528 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -84.89 -175.87 5.96 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-N 115.622 -0.717 . . . . 0.0 109.977 176.138 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 13.6 pt20 -130.45 99.91 5.17 Favored 'General case' 0 C--N 1.321 -0.655 0 CA-C-O 121.158 0.504 . . . . 0.0 110.989 -176.23 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 13' ' ' GLN . . . . . 0.445 ' O ' ' HG2' ' A' ' 13' ' ' GLN . 5.1 pm0 -80.7 102.21 9.75 Favored 'General case' 0 C--N 1.323 -0.545 0 CA-C-O 121.773 0.797 . . . . 0.0 110.46 178.853 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 74.4 mmtt -109.54 137.13 47.82 Favored 'General case' 0 C--N 1.32 -0.699 0 CA-C-N 115.52 -0.764 . . . . 0.0 109.328 178.638 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 15' ' ' ASN . . . . . 0.445 ' HA ' ' HA ' ' A' ' 56' ' ' SER . 6.4 p30 -83.53 118.41 23.77 Favored 'General case' 0 C--N 1.32 -0.676 0 CA-C-O 121.223 0.535 . . . . 0.0 110.932 -179.169 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 16' ' ' PHE . . . . . 0.419 ' O ' ' HA ' ' A' ' 54' ' ' ASN . 94.0 m-85 -116.1 141.72 47.76 Favored 'General case' 0 C--N 1.321 -0.666 0 CA-C-N 115.876 -0.602 . . . . 0.0 110.353 179.339 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 9.9 t30 -138.72 95.5 2.98 Favored 'General case' 0 C--N 1.321 -0.642 0 N-CA-C 109.421 -0.585 . . . . 0.0 109.421 176.328 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 18' ' ' ILE . . . . . 0.452 ' HB ' ' HB3' ' A' ' 53' ' ' LEU . 13.2 mm -117.74 121.59 67.78 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.769 0 CA-C-N 115.955 -0.566 . . . . 0.0 109.824 -175.938 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -67.39 146.31 54.18 Favored 'General case' 0 C--N 1.325 -0.489 0 N-CA-C 109.095 -0.705 . . . . 0.0 109.095 174.091 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -68.4 101.51 1.24 Allowed 'General case' 0 N--CA 1.452 -0.338 0 CA-C-O 121.562 0.696 . . . . 0.0 110.573 -175.305 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 21' ' ' GLN . . . . . . . . . . . . . 33.2 mt-30 -107.23 170.67 5.39 Favored Pre-proline 0 C--N 1.317 -0.837 0 CA-C-N 114.557 -1.201 . . . . 0.0 110.111 178.039 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 22' ' ' PRO . . . . . . . . . . . . . 51.3 Cg_exo -56.03 136.88 77.16 Favored 'Trans proline' 0 C--N 1.346 0.401 0 C-N-CA 121.632 1.554 . . . . 0.0 109.547 166.18 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 23' ' ' LEU . . . . . 0.494 ' N ' ' HA ' ' A' ' 49' ' ' GLN . 0.9 OUTLIER -53.0 -41.5 64.71 Favored 'General case' 0 C--N 1.325 -0.458 0 N-CA-C 112.954 0.724 . . . . 0.0 112.954 -166.286 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 52.6 mt-30 -65.98 -39.16 90.12 Favored 'General case' 0 C--N 1.325 -0.497 0 CA-C-O 120.75 0.309 . . . . 0.0 111.005 -179.811 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 18.0 m -76.99 -30.72 56.06 Favored 'General case' 0 C--N 1.325 -0.467 0 CA-C-O 121.034 0.445 . . . . 0.0 110.594 179.266 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -62.58 -51.94 65.35 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 115.75 -0.659 . . . . 0.0 110.794 178.995 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 27' ' ' MET . . . . . 0.409 ' HG3' ' HB ' ' A' ' 38' ' ' VAL . 26.5 mmt -70.41 -23.91 62.83 Favored 'General case' 0 C--N 1.323 -0.557 0 CA-C-N 115.396 -0.82 . . . . 0.0 110.82 -178.574 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 28' ' ' LEU . . . . . 0.526 ' O ' ' HB3' ' A' ' 32' ' ' GLU . 8.4 tt -61.58 -32.29 72.38 Favored 'General case' 0 C--N 1.322 -0.608 0 N-CA-C 109.072 -0.714 . . . . 0.0 109.072 175.1 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 29' ' ' ARG . . . . . 0.53 ' O ' ' HG2' ' A' ' 32' ' ' GLU . 21.5 mmt180 -85.72 -47.57 9.65 Favored 'General case' 0 C--N 1.332 -0.184 0 CA-C-N 116.116 -0.493 . . . . 0.0 111.766 179.523 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 8.3 t80 -67.15 -52.36 42.5 Favored 'General case' 0 C--N 1.32 -0.687 0 CA-C-O 121.385 0.612 . . . . 0.0 111.067 -179.834 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -77.69 -17.73 57.36 Favored 'General case' 0 C--N 1.318 -0.794 0 CA-C-N 115.722 -0.672 . . . . 0.0 112.201 -171.136 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 32' ' ' GLU . . . . . 0.53 ' HG2' ' O ' ' A' ' 29' ' ' ARG . 13.8 pt-20 -63.64 -29.6 70.82 Favored 'General case' 0 N--CA 1.467 0.413 0 C-N-CA 120.125 -0.63 . . . . 0.0 109.97 176.845 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 33' ' ' GLN . . . . . . . . . . . . . 74.0 mt-30 -79.19 -30.15 43.24 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 115.722 -0.672 . . . . 0.0 110.117 178.141 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -92.34 1.07 57.45 Favored 'General case' 0 C--N 1.326 -0.453 0 CA-C-N 115.744 -0.662 . . . . 0.0 111.714 -177.062 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 69.72 38.89 77.51 Favored Glycine 0 C--N 1.332 0.314 0 C-N-CA 121.084 -0.579 . . . . 0.0 112.216 -179.771 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 36' ' ' MET . . . . . . . . . . . . . 51.3 mtp -141.3 174.73 10.26 Favored 'General case' 0 C--N 1.324 -0.508 0 N-CA-C 110.167 -0.308 . . . . 0.0 110.167 -175.226 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 37' ' ' GLN . . . . . . . . . . . . . 41.9 tt0 -154.86 154.42 32.67 Favored 'General case' 0 C--N 1.326 -0.44 0 N-CA-C 109.135 -0.691 . . . . 0.0 109.135 172.04 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 38' ' ' VAL . . . . . 0.409 ' HB ' ' HG3' ' A' ' 27' ' ' MET . 7.4 p -90.6 146.35 6.31 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.398 0 CA-C-O 120.877 0.37 . . . . 0.0 111.412 -174.622 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 39' ' ' PHE . . . . . . . . . . . . . 65.2 t80 -138.88 134.9 33.89 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.041 -0.527 . . . . 0.0 109.957 -179.793 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 40' ' ' PHE . . . . . . . . . . . . . 51.1 m-85 -117.44 179.17 4.13 Favored 'General case' 0 C--N 1.324 -0.51 0 CA-C-N 116.306 -0.406 . . . . 0.0 110.542 -177.796 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 3.9 m-20 -68.87 155.56 40.03 Favored 'General case' 0 C--N 1.324 -0.501 0 N-CA-C 109.552 -0.536 . . . . 0.0 109.552 173.18 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 48.5 mt-10 -75.91 87.86 2.89 Favored 'General case' 0 C--N 1.324 -0.533 0 N-CA-C 109.479 -0.563 . . . . 0.0 109.479 176.566 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 43' ' ' VAL . . . . . . . . . . . . . 23.9 m -138.96 147.84 24.5 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.643 0 CA-C-N 115.597 -0.729 . . . . 0.0 110.295 -179.24 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 21.6 ttmm -91.85 88.96 6.84 Favored 'General case' 0 C--N 1.317 -0.817 0 N-CA-C 109.145 -0.687 . . . . 0.0 109.145 177.412 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 51.1 tp -136.81 133.68 36.19 Favored 'General case' 0 C--N 1.324 -0.529 0 CA-C-N 115.96 -0.564 . . . . 0.0 111.099 -173.72 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 15.6 m-20 -111.14 155.83 22.29 Favored 'General case' 0 C--N 1.323 -0.578 0 CA-C-N 115.885 -0.598 . . . . 0.0 110.513 174.724 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 112.07 -0.97 26.99 Favored Glycine 0 N--CA 1.45 -0.373 0 C-N-CA 120.833 -0.699 . . . . 0.0 112.665 177.446 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 48' ' ' MET . . . . . . . . . . . . . 71.2 mtm -79.29 118.62 21.38 Favored 'General case' 0 C--N 1.325 -0.488 0 N-CA-C 109.807 -0.442 . . . . 0.0 109.807 -179.875 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 49' ' ' GLN . . . . . 0.494 ' HA ' ' N ' ' A' ' 23' ' ' LEU . 13.5 pt20 -154.18 160.73 42.01 Favored 'General case' 0 C--N 1.322 -0.618 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.436 -176.964 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 50' ' ' ALA . . . . . 0.41 ' HA ' ' O ' ' A' ' 66' ' ' LEU . . . -90.81 158.58 16.75 Favored 'General case' 0 C--N 1.321 -0.634 0 CA-C-N 115.677 -0.692 . . . . 0.0 110.472 -179.473 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -89.67 -176.96 5.16 Favored 'General case' 0 C--N 1.323 -0.578 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.363 177.418 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -72.6 90.67 1.37 Allowed 'General case' 0 C--N 1.328 -0.343 0 CA-C-O 121.443 0.64 . . . . 0.0 110.344 178.53 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 53' ' ' LEU . . . . . 0.452 ' HB3' ' HB ' ' A' ' 18' ' ' ILE . 1.1 tm? -83.05 112.18 19.55 Favored 'General case' 0 C--N 1.321 -0.663 0 CA-C-N 115.356 -0.838 . . . . 0.0 110.416 -176.053 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 54' ' ' ASN . . . . . 0.419 ' HA ' ' O ' ' A' ' 16' ' ' PHE . 26.5 t-20 -155.19 105.33 2.5 Favored 'General case' 0 C--N 1.324 -0.5 0 N-CA-C 109.577 -0.527 . . . . 0.0 109.577 174.889 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . 178.55 158.62 21.51 Favored Glycine 0 N--CA 1.45 -0.411 0 C-N-CA 120.309 -0.948 . . . . 0.0 112.872 179.567 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 56' ' ' SER . . . . . 0.445 ' HA ' ' HA ' ' A' ' 15' ' ' ASN . 21.7 m -96.82 104.31 16.3 Favored 'General case' 0 C--N 1.329 -0.316 0 N-CA-C 109.486 -0.561 . . . . 0.0 109.486 174.793 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 57' ' ' MET . . . . . 0.426 ' HB2' ' HB2' ' A' ' 61' ' ' GLN . 11.8 ptt? -156.3 178.93 9.74 Favored 'General case' 0 C--N 1.322 -0.608 0 CA-C-N 116.145 -0.48 . . . . 0.0 111.129 -171.6 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 39.5 m -95.73 -174.91 3.28 Favored 'General case' 0 C--N 1.324 -0.542 0 CA-C-N 116.309 -0.405 . . . . 0.0 110.965 -179.312 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 59' ' ' VAL . . . . . . . . . . . . . 16.5 t -57.67 -46.47 86.61 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.187 0 CA-C-N 116.504 -0.316 . . . . 0.0 110.878 -176.484 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 60' ' ' GLU . . . . . 0.503 ' O ' ' HG3' ' A' ' 64' ' ' ARG . 3.3 mp0 -56.66 -62.27 1.85 Allowed 'General case' 0 C--N 1.323 -0.557 0 CA-C-N 116.042 -0.527 . . . . 0.0 111.348 -176.837 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 61' ' ' GLN . . . . . 0.515 ' OE1' ' HD2' ' A' ' 64' ' ' ARG . 15.0 mm100 -60.22 -37.52 80.57 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.436 -0.347 . . . . 0.0 111.426 -179.296 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . -58.98 -51.9 56.51 Favored Glycine 0 N--CA 1.448 -0.517 0 C-N-CA 120.83 -0.7 . . . . 0.0 111.867 178.088 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 63' ' ' LEU . . . . . 0.49 ' HA ' ' HB2' ' A' ' 66' ' ' LEU . 4.0 mm? -65.81 -39.15 90.61 Favored 'General case' 0 C--N 1.324 -0.518 0 CA-C-O 120.746 0.308 . . . . 0.0 111.496 -179.834 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 64' ' ' ARG . . . . . 0.515 ' HD2' ' OE1' ' A' ' 61' ' ' GLN . 92.8 mtt180 -54.3 -43.35 71.01 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-N 116.145 -0.479 . . . . 0.0 111.566 178.332 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 65' ' ' ARG . . . . . . . . . . . . . 64.0 mtp180 -80.31 -16.67 54.09 Favored 'General case' 0 C--N 1.324 -0.513 0 CA-C-O 120.994 0.426 . . . . 0.0 111.166 178.754 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 66' ' ' LEU . . . . . 0.49 ' HB2' ' HA ' ' A' ' 63' ' ' LEU . 8.2 mt -87.08 -48.68 7.88 Favored 'General case' 0 C--N 1.321 -0.672 0 CA-C-N 115.938 -0.573 . . . . 0.0 112.387 -175.158 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 67' ' ' ILE . . . . . 0.466 ' HB ' ' OD1' ' A' ' 111' ' ' ASN . 57.8 mt -90.46 -64.8 1.1 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 N-CA-C 113.431 0.9 . . . . 0.0 113.431 -168.647 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . -113.77 -62.32 0.42 Allowed Glycine 0 N--CA 1.447 -0.619 0 C-N-CA 119.152 -1.499 . . . . 0.0 114.958 -167.303 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . 83.81 -21.92 8.72 Favored Glycine 0 N--CA 1.45 -0.427 0 N-CA-C 110.204 -1.159 . . . . 0.0 110.204 -165.512 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 70' ' ' ASN . . . . . . . . . . . . . 89.8 m-20 -102.15 161.67 22.68 Favored Pre-proline 0 C--N 1.33 -0.257 0 N-CA-C 109.219 -0.66 . . . . 0.0 109.219 173.491 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 71' ' ' PRO . . . . . . . . . . . . . 24.3 Cg_exo -64.01 97.37 0.23 Allowed 'Trans proline' 0 C--N 1.348 0.515 0 C-N-CA 122.216 1.944 . . . . 0.0 112.602 179.872 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 72' ' ' VAL . . . . . . . . . . . . . 14.1 t -141.49 151.23 19.41 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.341 0 N-CA-C 107.107 -1.442 . . . . 0.0 107.107 175.027 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -103.48 125.69 50.2 Favored 'General case' 0 C--N 1.321 -0.643 0 CA-C-N 118.622 0.647 . . . . 0.0 111.952 -170.151 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 74' ' ' PHE . . . . . . . . . . . . . 24.9 p90 -109.32 123.48 49.36 Favored 'General case' 0 C--N 1.324 -0.533 0 N-CA-C 109.498 -0.556 . . . . 0.0 109.498 174.879 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 75' ' ' ARG . . . . . . . . . . . . . 39.1 ttm180 -109.59 115.89 30.74 Favored 'General case' 0 C--N 1.319 -0.751 0 CA-C-N 115.932 -0.576 . . . . 0.0 110.422 -176.635 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 76' ' ' LEU . . . . . . . . . . . . . 2.2 mm? -81.95 99.58 9.18 Favored 'General case' 0 C--N 1.325 -0.482 0 CA-C-N 115.942 -0.572 . . . . 0.0 110.223 -179.388 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 77' ' ' GLN . . . . . . . . . . . . . 79.6 mm-40 -76.49 130.89 75.69 Favored Pre-proline 0 C--N 1.321 -0.639 0 CA-C-N 116.036 -0.529 . . . . 0.0 110.062 177.368 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 78' ' ' PRO . . . . . . . . . . . . . 37.9 Cg_endo -66.26 -0.84 4.61 Favored 'Trans proline' 0 C--N 1.343 0.24 0 C-N-CA 122.817 2.345 . . . . 0.0 112.096 178.851 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 79' ' ' GLN . . . . . . . . . . . . . 45.1 mt-30 -87.01 -0.42 56.6 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-N 115.418 -0.81 . . . . 0.0 109.999 176.01 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . 90.05 33.87 8.62 Favored Glycine 0 N--CA 1.448 -0.534 0 CA-C-N 115.767 -0.651 . . . . 0.0 112.257 179.074 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 81' ' ' GLN . . . . . . . . . . . . . 16.1 mm100 -132.22 134.76 45.72 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-O 120.975 0.416 . . . . 0.0 111.309 -176.695 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 82' ' ' ILE . . . . . . . . . . . . . 34.3 mt -101.54 98.92 7.44 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.575 0 N-CA-C 109.19 -0.67 . . . . 0.0 109.19 175.008 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 83' ' ' VAL . . . . . . . . . . . . . 47.9 t -92.86 115.68 32.25 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.706 0 CA-C-O 120.837 0.351 . . . . 0.0 110.473 -176.909 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 84' ' ' LEU . . . . . . . . . . . . . 31.3 tp -86.75 117.44 25.5 Favored 'General case' 0 C--N 1.324 -0.534 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.267 178.935 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 85' ' ' SER . . . . . . . . . . . . . 19.2 m -106.54 133.36 51.33 Favored 'General case' 0 C--N 1.32 -0.717 0 CA-C-N 116.255 -0.43 . . . . 0.0 109.981 -179.322 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 86' ' ' ARG . . . . . . . . . . . . . 99.7 mtt180 -81.41 70.49 8.28 Favored 'General case' 0 C--N 1.325 -0.491 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.243 -177.796 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 87' ' ' LEU . . . . . . . . . . . . . 8.9 mp -77.11 124.71 87.27 Favored Pre-proline 0 C--N 1.325 -0.497 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.056 174.707 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 88' ' ' PRO . . . . . . . . . . . . . 62.4 Cg_endo -73.34 164.44 35.18 Favored 'Trans proline' 0 N--CA 1.461 -0.429 0 C-N-CA 122.895 2.396 . . . . 0.0 112.323 -178.998 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 89' ' ' THR . . . . . . . . . . . . . 27.4 m -66.83 104.46 1.35 Allowed 'General case' 0 C--N 1.323 -0.549 0 CA-C-N 115.803 -0.635 . . . . 0.0 110.1 176.918 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 90' ' ' ALA . . . . . . . . . . . . . . . -73.99 174.83 8.03 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.097 -0.501 . . . . 0.0 111.067 -177.027 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 91' ' ' ASN . . . . . . . . . . . . . 63.6 t30 -59.7 -44.76 93.54 Favored 'General case' 0 C--N 1.325 -0.469 0 CA-C-O 120.744 0.306 . . . . 0.0 110.715 -176.198 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 92' ' ' GLY . . . . . . . . . . . . . . . -65.11 -19.13 65.65 Favored Glycine 0 N--CA 1.452 -0.256 0 CA-C-N 115.926 -0.579 . . . . 0.0 112.626 -179.914 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 28.4 m-20 -88.22 -2.78 58.8 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-O 121.012 0.434 . . . . 0.0 110.358 178.266 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 94' ' ' GLY . . . . . . . . . . . . . . . 95.3 23.29 19.89 Favored Glycine 0 N--CA 1.448 -0.544 0 C-N-CA 120.83 -0.7 . . . . 0.0 111.813 -176.905 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 95' ' ' GLY . . . . . . . . . . . . . . . -87.41 -115.54 1.09 Allowed Glycine 0 N--CA 1.448 -0.559 0 C-N-CA 120.861 -0.685 . . . . 0.0 111.824 177.082 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 96' ' ' ALA . . . . . . . . . . . . . . . -151.62 179.69 8.17 Favored 'General case' 0 C--N 1.322 -0.599 0 CA-C-O 120.449 0.166 . . . . 0.0 110.598 -179.803 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 97' ' ' LEU . . . . . . . . . . . . . 93.9 mt -69.89 172.34 7.89 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-N 116.478 -0.328 . . . . 0.0 110.663 178.379 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 98' ' ' ALA . . . . . . . . . . . . . . . 74.68 -42.15 0.49 Allowed 'General case' 0 N--CA 1.467 0.41 0 C-N-CA 123.706 0.803 . . . . 0.0 109.988 -174.447 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 99' ' ' LEU . . . . . . . . . . . . . 96.1 mt -81.22 -4.38 55.3 Favored 'General case' 0 N--CA 1.449 -0.504 0 CA-C-N 115.872 -0.603 . . . . 0.0 109.767 171.71 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 100' ' ' ASP . . . . . . . . . . . . . 5.1 p-10 -70.5 -18.97 62.96 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 115.695 -0.684 . . . . 0.0 109.845 177.392 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 14.7 m -78.23 -2.53 38.23 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 115.533 -0.758 . . . . 0.0 111.035 179.386 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 102' ' ' LEU . . . . . 0.407 ' O ' ' HG ' ' A' ' 102' ' ' LEU . 33.7 tp -80.71 7.63 9.83 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 121.387 0.613 . . . . 0.0 110.228 179.274 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 103' ' ' THR . . . . . . . . . . . . . 12.1 t -75.59 -14.33 60.38 Favored 'General case' 0 C--N 1.325 -0.464 0 CA-C-N 115.625 -0.716 . . . . 0.0 110.339 176.735 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 104' ' ' VAL . . . . . . . . . . . . . 28.0 m -76.27 147.96 7.44 Favored 'Isoleucine or valine' 0 C--O 1.233 0.223 0 CA-C-N 116.211 -0.45 . . . . 0.0 109.966 176.956 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 105' ' ' LEU . . . . . . . . . . . . . 95.5 mt 54.72 49.66 17.52 Favored 'General case' 0 C--O 1.234 0.266 0 CA-C-O 121.244 0.545 . . . . 0.0 109.868 -175.441 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 106' ' ' GLY . . . . . . . . . . . . . . . -72.3 90.73 0.53 Allowed Glycine 0 N--CA 1.447 -0.596 0 CA-C-N 115.407 -0.815 . . . . 0.0 113.043 -174.8 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 107' ' ' ALA . . . . . . . . . . . . . . . -87.95 143.81 26.9 Favored 'General case' 0 C--N 1.32 -0.689 0 N-CA-C 109.946 -0.39 . . . . 0.0 109.946 175.979 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 108' ' ' GLY . . . . . . . . . . . . . . . -82.97 2.86 86.02 Favored Glycine 0 N--CA 1.449 -0.498 0 C-N-CA 120.964 -0.636 . . . . 0.0 112.119 179.393 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 109' ' ' GLY . . . . . . . . . . . . . . . -80.54 97.21 1.7 Allowed Glycine 0 N--CA 1.442 -0.926 0 C-N-CA 120.527 -0.844 . . . . 0.0 111.876 178.892 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 110' ' ' ASN . . . . . 0.506 ' O ' ' HG2' ' A' ' 64' ' ' ARG . 5.8 p-10 -142.72 136.51 29.03 Favored 'General case' 0 C--N 1.319 -0.726 0 N-CA-C 108.412 -0.959 . . . . 0.0 108.412 178.046 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 111' ' ' ASN . . . . . 0.483 ' HA ' ' HG2' ' A' ' 64' ' ' ARG . 64.7 m-80 -80.81 50.65 1.39 Allowed 'General case' 0 C--N 1.325 -0.498 0 CA-C-O 120.717 0.294 . . . . 0.0 111.734 -175.072 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 112' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.249 1.065 0 CA-C-O 118.47 -0.776 . . . . 0.0 110.019 179.189 . . . . . . . . 0 0 . 1 . 009 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 37.0 t . . . . . 0 N--CA 1.477 0.897 0 CA-C-O 120.87 0.366 . . . . 0.0 110.347 . . . . . . . . . 0 0 . 1 . 009 nuclear build full ' A' A ' 7' ' ' MET . . . . . . . . . . . . . 0.3 OUTLIER -114.05 95.1 5.13 Favored 'General case' 0 C--N 1.326 -0.44 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.493 177.837 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -63.69 -24.34 67.74 Favored 'General case' 0 C--N 1.326 -0.454 0 CA-C-O 121.115 0.483 . . . . 0.0 110.863 178.332 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 9' ' ' GLN . . . . . . . . . . . . . 13.9 pt20 -68.06 -14.88 63.32 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 115.766 -0.652 . . . . 0.0 111.118 178.994 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -99.66 4.14 45.49 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-O 121.112 0.482 . . . . 0.0 110.607 179.52 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -114.62 99.46 7.55 Favored 'General case' 0 C--N 1.323 -0.57 0 CA-C-N 115.916 -0.584 . . . . 0.0 110.905 -177.5 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 34.8 tt0 -79.11 99.63 7.03 Favored 'General case' 0 C--N 1.325 -0.492 0 CA-C-O 121.037 0.446 . . . . 0.0 109.991 177.381 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 6.1 pt20 -127.2 140.64 52.1 Favored 'General case' 0 C--N 1.319 -0.75 0 CA-C-N 116.077 -0.51 . . . . 0.0 110.681 179.761 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 14' ' ' LYS . . . . . 0.446 ' O ' ' HA ' ' A' ' 56' ' ' SER . 34.0 mmtp -112.22 154.28 25.81 Favored 'General case' 0 C--N 1.323 -0.569 0 CA-C-N 115.853 -0.612 . . . . 0.0 109.702 -179.143 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 15' ' ' ASN . . . . . . . . . . . . . 13.3 t-20 -87.04 106.48 17.87 Favored 'General case' 0 C--N 1.322 -0.607 0 CA-C-N 116.343 -0.389 . . . . 0.0 110.122 -179.068 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 16' ' ' PHE . . . . . 0.476 ' O ' ' HA ' ' A' ' 54' ' ' ASN . 33.1 m-85 -102.42 135.9 43.21 Favored 'General case' 0 C--N 1.325 -0.47 0 CA-C-N 116.371 -0.377 . . . . 0.0 110.747 -178.02 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 48.7 m-80 -128.81 89.89 2.96 Favored 'General case' 0 C--N 1.325 -0.462 0 CA-C-O 121.213 0.53 . . . . 0.0 109.686 177.287 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 18' ' ' ILE . . . . . . . . . . . . . 19.6 mm -117.78 105.61 18.31 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.698 0 CA-C-N 115.807 -0.633 . . . . 0.0 110.436 -175.66 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -69.68 147.78 50.14 Favored 'General case' 0 C--N 1.323 -0.575 0 N-CA-C 108.295 -1.002 . . . . 0.0 108.295 170.945 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -65.62 102.97 0.79 Allowed 'General case' 0 C--N 1.33 -0.257 0 CA-C-O 121.476 0.655 . . . . 0.0 110.897 -173.295 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 21' ' ' GLN . . . . . . . . . . . . . 77.7 mt-30 -105.64 169.68 6.73 Favored Pre-proline 0 C--N 1.32 -0.707 0 CA-C-N 114.986 -1.007 . . . . 0.0 110.175 177.611 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 22' ' ' PRO . . . . . . . . . . . . . 53.1 Cg_exo -56.51 143.45 87.85 Favored 'Trans proline' 0 C--N 1.345 0.359 0 C-N-CA 121.855 1.704 . . . . 0.0 110.84 168.356 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -53.68 -46.47 70.67 Favored 'General case' 0 C--N 1.323 -0.544 0 N-CA-C 112.409 0.522 . . . . 0.0 112.409 -168.141 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 49.8 mt-30 -56.73 -44.02 81.23 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.416 -0.356 . . . . 0.0 111.844 -179.126 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 25' ' ' SER . . . . . 0.433 ' O ' ' HG2' ' A' ' 29' ' ' ARG . 6.3 p -83.57 -21.02 32.76 Favored 'General case' 0 C--N 1.324 -0.53 0 C-N-CA 121.051 -0.26 . . . . 0.0 111.268 -177.837 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -59.38 -57.11 14.44 Favored 'General case' 0 C--O 1.234 0.241 0 CA-C-O 120.901 0.381 . . . . 0.0 111.033 178.543 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 27' ' ' MET . . . . . 0.676 ' HB2' ' CG1' ' A' ' 38' ' ' VAL . 45.3 mtt -72.78 -24.55 60.95 Favored 'General case' 0 CA--C 1.507 -0.674 0 N-CA-C 109.918 -0.401 . . . . 0.0 109.918 177.811 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 28' ' ' LEU . . . . . 0.546 ' O ' ' HG3' ' A' ' 32' ' ' GLU . 64.6 tp -56.68 -52.36 65.24 Favored 'General case' 0 C--N 1.323 -0.569 0 N-CA-C 109.031 -0.729 . . . . 0.0 109.031 174.663 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 29' ' ' ARG . . . . . 0.472 ' HD3' ' OE1' ' A' ' 32' ' ' GLU . 23.1 mmt180 -63.48 -45.07 92.43 Favored 'General case' 0 C--N 1.326 -0.443 0 CA-C-N 116.324 -0.398 . . . . 0.0 111.703 -178.723 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 30' ' ' PHE . . . . . 0.467 ' CE2' HD21 ' A' ' 63' ' ' LEU . 28.0 t80 -65.87 -54.31 28.24 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-O 121.131 0.491 . . . . 0.0 111.113 178.901 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 31' ' ' ALA . . . . . 0.452 ' HA ' ' HB3' ' A' ' 34' ' ' ALA . . . -70.02 -18.01 63.29 Favored 'General case' 0 C--N 1.322 -0.62 0 CA-C-N 116.054 -0.521 . . . . 0.0 111.16 -175.79 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 32' ' ' GLU . . . . . 0.546 ' HG3' ' O ' ' A' ' 28' ' ' LEU . 11.5 mt-10 -54.06 -41.94 68.7 Favored 'General case' 0 N--CA 1.471 0.622 0 CA-C-O 120.766 0.317 . . . . 0.0 111.211 173.48 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 33' ' ' GLN . . . . . . . . . . . . . 28.9 pt20 -90.39 -10.47 43.79 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-O 120.732 0.301 . . . . 0.0 111.162 -178.983 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 34' ' ' ALA . . . . . 0.452 ' HB3' ' HA ' ' A' ' 31' ' ' ALA . . . -94.84 -30.1 14.38 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.501 -0.318 . . . . 0.0 111.749 -179.188 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 107.33 29.24 4.58 Favored Glycine 0 CA--C 1.519 0.31 0 C-N-CA 120.999 -0.62 . . . . 0.0 112.73 178.677 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 36' ' ' MET . . . . . 0.422 ' HB2' ' HB1' ' A' ' 31' ' ' ALA . 67.3 mtm -138.31 175.14 9.83 Favored 'General case' 0 C--N 1.327 -0.386 0 N-CA-C 110.401 -0.222 . . . . 0.0 110.401 -177.036 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 37' ' ' GLN . . . . . . . . . . . . . 58.9 tt0 -147.78 162.83 38.43 Favored 'General case' 0 C--N 1.327 -0.407 0 N-CA-C 109.569 -0.53 . . . . 0.0 109.569 177.569 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 38' ' ' VAL . . . . . 0.676 ' CG1' ' HB2' ' A' ' 27' ' ' MET . 21.8 m -75.92 148.59 7.17 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.361 0 CA-C-O 120.969 0.414 . . . . 0.0 111.455 -177.633 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 39' ' ' PHE . . . . . . . . . . . . . 72.9 t80 -139.8 145.66 38.45 Favored 'General case' 0 C--N 1.323 -0.573 0 CA-C-N 115.809 -0.632 . . . . 0.0 109.882 174.394 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 40' ' ' PHE . . . . . . . . . . . . . 37.8 p90 -153.08 153.95 33.86 Favored 'General case' 0 C--N 1.319 -0.721 0 N-CA-C 109.073 -0.714 . . . . 0.0 109.073 179.309 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 23.8 m-20 -90.48 -164.83 1.23 Allowed 'General case' 0 C--N 1.323 -0.556 0 N-CA-C 109.663 -0.495 . . . . 0.0 109.663 178.254 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 35.3 mt-10 -71.8 88.48 1.01 Allowed 'General case' 0 C--N 1.326 -0.422 0 CA-C-O 121.364 0.602 . . . . 0.0 110.439 179.196 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 43' ' ' VAL . . . . . . . . . . . . . 5.9 p -146.37 134.23 15.39 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.573 0 CA-C-N 115.422 -0.808 . . . . 0.0 109.644 -179.795 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 40.0 ttpt -73.62 107.81 6.09 Favored 'General case' 0 C--N 1.324 -0.509 0 CA-C-O 121.129 0.49 . . . . 0.0 110.701 -178.324 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 84.5 mt -88.59 98.17 11.51 Favored 'General case' 0 C--N 1.322 -0.593 0 CA-C-N 115.772 -0.649 . . . . 0.0 109.284 176.725 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 30.8 t70 -127.32 111.58 14.07 Favored 'General case' 0 C--N 1.321 -0.634 0 CA-C-N 115.868 -0.606 . . . . 0.0 110.443 -176.391 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 83.46 21.74 57.76 Favored Glycine 0 N--CA 1.448 -0.508 0 C-N-CA 120.836 -0.697 . . . . 0.0 111.786 -178.543 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 48' ' ' MET . . . . . . . . . . . . . 25.9 mmt -87.03 119.12 26.9 Favored 'General case' 0 C--N 1.326 -0.429 0 N-CA-C 110.195 -0.298 . . . . 0.0 110.195 -178.455 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -146.27 173.88 11.85 Favored 'General case' 0 C--N 1.322 -0.6 0 CA-C-N 116.331 -0.395 . . . . 0.0 110.838 -179.049 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -105.13 177.67 4.78 Favored 'General case' 0 C--N 1.321 -0.632 0 CA-C-O 121.326 0.584 . . . . 0.0 111.421 -176.772 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -99.68 171.16 8.08 Favored 'General case' 0 C--N 1.322 -0.599 0 CA-C-N 115.444 -0.798 . . . . 0.0 110.236 178.899 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -82.08 89.77 6.48 Favored 'General case' 0 C--N 1.325 -0.495 0 CA-C-O 120.967 0.413 . . . . 0.0 110.471 179.767 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 31.9 tp -97.65 120.69 38.49 Favored 'General case' 0 C--N 1.322 -0.609 0 CA-C-N 116.038 -0.528 . . . . 0.0 110.892 -179.965 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 54' ' ' ASN . . . . . 0.476 ' HA ' ' O ' ' A' ' 16' ' ' PHE . 3.0 p-10 -153.67 98.76 2.24 Favored 'General case' 0 C--N 1.32 -0.7 0 CA-C-O 121.553 0.692 . . . . 0.0 109.745 173.369 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . 179.3 178.85 48.58 Favored Glycine 0 N--CA 1.443 -0.861 0 CA-C-N 115.609 -0.723 . . . . 0.0 111.754 -176.632 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 56' ' ' SER . . . . . 0.446 ' HA ' ' O ' ' A' ' 14' ' ' LYS . 14.6 m -103.75 115.71 30.97 Favored 'General case' 0 C--N 1.319 -0.72 0 CA-C-O 120.723 0.297 . . . . 0.0 110.329 -179.645 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 57' ' ' MET . . . . . . . . . . . . . 20.1 ptp -157.88 173.15 17.23 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 116.399 -0.364 . . . . 0.0 110.497 -178.097 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 58' ' ' SER . . . . . 0.49 ' HB2' ' OE1' ' A' ' 61' ' ' GLN . 16.3 m -83.04 177.72 8.47 Favored 'General case' 0 C--N 1.326 -0.422 0 N-CA-C 110.413 -0.217 . . . . 0.0 110.413 -178.967 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 59' ' ' VAL . . . . . . . . . . . . . 24.7 t -61.68 -44.15 98.25 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.338 0 CA-C-O 120.746 0.308 . . . . 0.0 110.723 -177.811 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 60' ' ' GLU . . . . . 0.599 ' HB3' ' NH1' ' A' ' 64' ' ' ARG . 45.6 mt-10 -57.68 -56.35 23.01 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.046 -0.524 . . . . 0.0 111.577 179.3 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 61' ' ' GLN . . . . . 0.49 ' OE1' ' HB2' ' A' ' 58' ' ' SER . 24.6 mp0 -61.14 -42.29 98.27 Favored 'General case' 0 C--N 1.323 -0.553 0 N-CA-C 109.973 -0.38 . . . . 0.0 109.973 178.384 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 62' ' ' GLY . . . . . 0.544 ' O ' ' HB2' ' A' ' 66' ' ' LEU . . . -55.81 -58.69 12.83 Favored Glycine 0 C--O 1.219 -0.796 0 CA-C-N 115.674 -0.694 . . . . 0.0 112.611 -179.391 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 63' ' ' LEU . . . . . 0.476 ' HG ' ' CE2' ' A' ' 74' ' ' PHE . 4.2 mm? -60.87 -48.15 83.13 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-N 116.859 0.33 . . . . 0.0 111.809 -177.354 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 64' ' ' ARG . . . . . 0.599 ' NH1' ' HB3' ' A' ' 60' ' ' GLU . 66.3 mtt180 -62.5 -36.23 81.9 Favored 'General case' 0 C--N 1.325 -0.499 0 CA-C-N 116.562 -0.29 . . . . 0.0 110.868 -176.76 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 65' ' ' ARG . . . . . 0.496 ' HA ' ' HA2' ' A' ' 69' ' ' GLY . 8.3 tpp180 -78.64 -38.49 39.49 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-O 120.999 0.428 . . . . 0.0 110.775 177.699 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 66' ' ' LEU . . . . . 0.544 ' HB2' ' O ' ' A' ' 62' ' ' GLY . 5.8 tt -59.81 -48.84 80.07 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-N 115.257 -0.883 . . . . 0.0 110.926 -177.57 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 67' ' ' ILE . . . . . 0.408 HG13 ' O ' ' A' ' 63' ' ' LEU . 18.1 mt -77.78 -64.37 0.91 Allowed 'Isoleucine or valine' 0 C--N 1.322 -0.598 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.38 -173.293 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . -116.3 -44.71 0.6 Allowed Glycine 0 N--CA 1.451 -0.353 0 C-N-CA 120.764 -0.732 . . . . 0.0 113.9 -177.251 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 69' ' ' GLY . . . . . 0.496 ' HA2' ' HA ' ' A' ' 65' ' ' ARG . . . 105.25 -2.36 40.35 Favored Glycine 0 N--CA 1.45 -0.412 0 N-CA-C 111.063 -0.815 . . . . 0.0 111.063 -167.724 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 70' ' ' ASN . . . . . . . . . . . . . 40.8 m-80 -101.41 150.79 37.51 Favored Pre-proline 0 C--N 1.329 -0.319 0 CA-C-N 115.514 -0.343 . . . . 0.0 110.496 -179.741 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 71' ' ' PRO . . . . . . . . . . . . . 37.4 Cg_exo -61.37 120.37 8.0 Favored 'Trans proline' 0 C--N 1.344 0.324 0 C-N-CA 122.662 2.241 . . . . 0.0 110.83 172.356 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 72' ' ' VAL . . . . . 0.618 HG11 ' ND2' ' A' ' 111' ' ' ASN . 9.1 p -151.39 161.62 3.28 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 CA-C-N 116.58 -0.282 . . . . 0.0 110.266 -171.457 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -110.99 128.07 55.72 Favored 'General case' 0 N--CA 1.447 -0.576 0 CA-C-O 120.862 0.363 . . . . 0.0 110.061 -177.641 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 74' ' ' PHE . . . . . 0.506 ' HZ ' ' HA ' ' A' ' 60' ' ' GLU . 31.0 p90 -133.45 138.24 46.1 Favored 'General case' 0 C--N 1.317 -0.824 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.125 -178.071 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 75' ' ' ARG . . . . . 0.574 ' NH2' HD21 ' A' ' 87' ' ' LEU . 38.9 mmt180 -87.02 133.77 33.55 Favored 'General case' 0 C--N 1.322 -0.607 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.368 -177.93 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 76' ' ' LEU . . . . . . . . . . . . . 96.0 mt -118.68 111.9 19.11 Favored 'General case' 0 C--N 1.32 -0.692 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.231 177.322 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 77' ' ' GLN . . . . . . . . . . . . . 54.2 mt-30 -104.57 114.25 64.24 Favored Pre-proline 0 C--N 1.32 -0.711 0 N-CA-C 109.298 -0.63 . . . . 0.0 109.298 170.598 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 78' ' ' PRO . . . . . . . . . . . . . 79.2 Cg_exo -42.07 -46.16 7.16 Favored 'Trans proline' 0 C--N 1.351 0.68 0 C-N-CA 123.861 3.041 . . . . 0.0 113.915 -171.341 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 79' ' ' GLN . . . . . . . . . . . . . 12.1 pt20 -118.16 29.12 7.96 Favored 'General case' 0 C--N 1.325 -0.464 0 CA-C-O 120.99 0.424 . . . . 0.0 110.654 179.033 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . -124.51 -111.24 1.9 Allowed Glycine 0 N--CA 1.443 -0.882 0 C-N-CA 120.732 -0.747 . . . . 0.0 112.193 -178.964 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 81' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -143.0 169.83 16.82 Favored 'General case' 0 C--N 1.322 -0.603 0 CA-C-O 121.12 0.486 . . . . 0.0 111.712 -171.959 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 82' ' ' ILE . . . . . . . . . . . . . 53.0 mt -115.93 122.35 69.37 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 115.154 -0.93 . . . . 0.0 109.742 176.354 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 83' ' ' VAL . . . . . . . . . . . . . 16.6 m -128.48 142.38 44.04 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.508 0 CA-C-O 120.892 0.377 . . . . 0.0 110.576 176.838 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 84' ' ' LEU . . . . . . . . . . . . . 21.1 tp -102.45 141.75 34.76 Favored 'General case' 0 C--N 1.321 -0.631 0 CA-C-N 116.011 -0.541 . . . . 0.0 110.077 -176.11 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 85' ' ' SER . . . . . . . . . . . . . 23.8 m -152.27 145.56 24.72 Favored 'General case' 0 C--O 1.233 0.231 0 CA-C-O 121.127 0.489 . . . . 0.0 111.126 -177.601 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 86' ' ' ARG . . . . . . . . . . . . . 15.4 mmm180 -88.74 82.85 6.74 Favored 'General case' 0 C--N 1.323 -0.561 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.506 174.452 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 87' ' ' LEU . . . . . 0.574 HD21 ' NH2' ' A' ' 75' ' ' ARG . 8.1 mp -74.39 121.7 85.82 Favored Pre-proline 0 C--N 1.326 -0.42 0 CA-C-O 120.884 0.374 . . . . 0.0 110.35 177.189 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 88' ' ' PRO . . . . . . . . . . . . . 89.0 Cg_endo -85.94 134.97 4.61 Favored 'Trans proline' 0 N--CA 1.457 -0.642 0 C-N-CA 122.859 2.373 . . . . 0.0 113.416 -176.127 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 89' ' ' THR . . . . . . . . . . . . . 14.6 t -83.76 147.49 27.58 Favored 'General case' 0 C--N 1.322 -0.627 0 N-CA-C 109.1 -0.704 . . . . 0.0 109.1 172.245 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 90' ' ' ALA . . . . . 0.541 ' HB1' ' HB3' ' A' ' 93' ' ' ASP . . . -74.52 109.5 8.05 Favored 'General case' 0 C--N 1.32 -0.686 0 CA-C-O 121.018 0.437 . . . . 0.0 111.369 -175.888 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 91' ' ' ASN . . . . . . . . . . . . . 9.9 t30 -78.52 -43.64 26.32 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-N 115.898 -0.592 . . . . 0.0 111.005 -177.217 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 92' ' ' GLY . . . . . . . . . . . . . . . -73.83 -35.51 54.4 Favored Glycine 0 N--CA 1.452 -0.271 0 C-N-CA 120.859 -0.686 . . . . 0.0 111.977 -178.659 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 93' ' ' ASP . . . . . 0.541 ' HB3' ' HB1' ' A' ' 90' ' ' ALA . 7.9 t70 -68.57 -26.18 65.26 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-O 121.123 0.487 . . . . 0.0 110.634 177.176 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 94' ' ' GLY . . . . . . . . . . . . . . . 96.97 -28.31 14.36 Favored Glycine 0 N--CA 1.449 -0.48 0 C-N-CA 121.004 -0.617 . . . . 0.0 112.409 -178.611 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 95' ' ' GLY . . . . . . . . . . . . . . . 115.81 66.8 0.41 Allowed Glycine 0 N--CA 1.445 -0.724 0 C-N-CA 120.369 -0.92 . . . . 0.0 112.664 176.62 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 96' ' ' ALA . . . . . 0.419 ' C ' ' H ' ' A' ' 98' ' ' ALA . . . -64.21 170.52 3.66 Favored 'General case' 0 C--N 1.325 -0.48 0 CA-C-O 120.733 0.301 . . . . 0.0 110.52 174.179 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 97' ' ' LEU . . . . . 0.48 ' H ' ' HG ' ' A' ' 97' ' ' LEU . 1.5 pp -74.18 38.47 0.11 Allowed 'General case' 0 CA--C 1.534 0.339 0 CA-C-O 121.483 0.658 . . . . 0.0 112.372 -176.157 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 98' ' ' ALA . . . . . 0.419 ' H ' ' C ' ' A' ' 96' ' ' ALA . . . -129.17 -13.65 4.45 Favored 'General case' 0 C--N 1.321 -0.669 0 CA-C-N 115.558 -0.746 . . . . 0.0 109.501 172.832 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 99' ' ' LEU . . . . . . . . . . . . . 2.6 mm? -118.59 -9.22 10.31 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 115.522 -0.763 . . . . 0.0 110.394 -179.189 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 100' ' ' ASP . . . . . . . . . . . . . 9.0 p-10 -66.53 -36.6 83.08 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.634 -176.318 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 15.0 m -62.06 -22.93 66.17 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.753 176.394 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 102' ' ' LEU . . . . . 0.426 HD13 ' HB3' ' A' ' 87' ' ' LEU . 61.5 mt -94.24 -2.07 52.99 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 115.996 -0.547 . . . . 0.0 110.487 -178.854 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 103' ' ' THR . . . . . . . . . . . . . 13.5 m -94.88 -52.78 4.1 Favored 'General case' 0 C--N 1.326 -0.44 0 CA-C-N 116.057 -0.52 . . . . 0.0 110.3 178.966 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 104' ' ' VAL . . . . . . . . . . . . . 12.2 m -60.34 103.94 0.2 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 115.476 -0.784 . . . . 0.0 111.605 -177.855 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 105' ' ' LEU . . . . . 0.408 HD23 HH11 ' A' ' 64' ' ' ARG . 20.8 tp 57.34 32.02 21.09 Favored 'General case' 0 CA--C 1.532 0.284 0 CA-C-N 115.198 -0.91 . . . . 0.0 110.406 -176.726 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 106' ' ' GLY . . . . . . . . . . . . . . . -120.78 -36.39 0.78 Allowed Glycine 0 N--CA 1.449 -0.458 0 CA-C-N 115.464 -0.789 . . . . 0.0 111.931 178.697 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 107' ' ' ALA . . . . . . . . . . . . . . . -71.76 127.49 32.73 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-O 120.668 0.271 . . . . 0.0 110.666 179.265 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 108' ' ' GLY . . . . . . . . . . . . . . . 172.13 -164.5 37.0 Favored Glycine 0 N--CA 1.446 -0.657 0 C-N-CA 120.758 -0.734 . . . . 0.0 112.134 -178.532 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 109' ' ' GLY . . . . . . . . . . . . . . . -100.55 -174.91 29.76 Favored Glycine 0 N--CA 1.446 -0.7 0 C-N-CA 120.887 -0.673 . . . . 0.0 112.766 -179.284 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 110' ' ' ASN . . . . . . . . . . . . . 92.0 m-20 -72.12 134.52 45.81 Favored 'General case' 0 C--N 1.325 -0.496 0 CA-C-O 120.872 0.367 . . . . 0.0 110.408 179.353 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 111' ' ' ASN . . . . . 0.618 ' ND2' HG11 ' A' ' 72' ' ' VAL . 38.0 m-20 -65.21 -33.54 76.24 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 115.789 -0.641 . . . . 0.0 110.778 176.719 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 112' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.248 1.014 0 CA-C-O 118.741 -0.647 . . . . 0.0 110.175 179.415 . . . . . . . . 0 0 . 1 . 010 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 34.7 m . . . . . 0 N--CA 1.477 0.901 0 CA-C-O 121.074 0.464 . . . . 0.0 110.566 . . . . . . . . . 0 0 . 1 . 010 nuclear build full ' A' A ' 7' ' ' MET . . . . . . . . . . . . . 27.3 ptt? -66.18 -28.14 68.54 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.072 -0.513 . . . . 0.0 111.347 -176.794 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -69.35 -33.58 73.32 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 121.008 0.432 . . . . 0.0 110.719 179.761 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 9' ' ' GLN . . . . . . . . . . . . . 85.0 mm-40 -81.71 -35.15 30.11 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 116.103 -0.499 . . . . 0.0 110.182 177.372 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -63.97 -45.04 90.86 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 115.86 -0.609 . . . . 0.0 110.303 176.606 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -94.37 60.44 2.68 Favored 'General case' 0 C--N 1.324 -0.535 0 CA-C-N 116.004 -0.544 . . . . 0.0 109.847 175.737 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 12.7 pt20 -64.97 140.38 58.86 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-N 115.383 -0.826 . . . . 0.0 111.248 -176.748 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 51.9 mt-30 -119.3 122.38 41.75 Favored 'General case' 0 C--N 1.324 -0.525 0 CA-C-N 115.905 -0.589 . . . . 0.0 110.656 -178.843 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 14' ' ' LYS . . . . . 0.532 ' O ' ' HA ' ' A' ' 56' ' ' SER . 44.1 mmtm -109.54 142.96 39.87 Favored 'General case' 0 C--N 1.323 -0.573 0 N-CA-C 109.534 -0.543 . . . . 0.0 109.534 175.439 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 15' ' ' ASN . . . . . 0.411 ' HA ' ' HA ' ' A' ' 56' ' ' SER . 47.8 t30 -80.41 98.97 7.74 Favored 'General case' 0 C--N 1.325 -0.472 0 CA-C-O 121.113 0.482 . . . . 0.0 110.529 -178.03 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 16' ' ' PHE . . . . . . . . . . . . . 75.7 m-85 -100.13 140.66 34.04 Favored 'General case' 0 C--N 1.319 -0.751 0 CA-C-N 115.756 -0.656 . . . . 0.0 109.617 178.557 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 9.1 p30 -147.88 117.92 7.24 Favored 'General case' 0 C--N 1.319 -0.724 0 CA-C-O 121.306 0.574 . . . . 0.0 109.52 176.123 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 18' ' ' ILE . . . . . 0.535 HD12 HD11 ' A' ' 66' ' ' LEU . 18.1 mt -139.24 124.17 21.05 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.586 0 CA-C-N 115.837 -0.619 . . . . 0.0 109.923 -175.875 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -70.54 160.01 33.26 Favored 'General case' 0 C--N 1.328 -0.36 0 N-CA-C 109.566 -0.531 . . . . 0.0 109.566 175.851 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -67.07 104.11 1.34 Allowed 'General case' 0 C--N 1.331 -0.233 0 CA-C-O 121.522 0.677 . . . . 0.0 110.626 -176.502 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 21' ' ' GLN . . . . . . . . . . . . . 70.3 mt-30 -105.67 174.82 2.4 Favored Pre-proline 0 C--N 1.32 -0.688 0 CA-C-N 114.82 -1.082 . . . . 0.0 109.631 175.741 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 22' ' ' PRO . . . . . . . . . . . . . 32.5 Cg_exo -59.37 135.88 68.16 Favored 'Trans proline' 0 N--CA 1.462 -0.381 0 C-N-CA 121.54 1.493 . . . . 0.0 109.489 165.193 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 23' ' ' LEU . . . . . 0.406 ' HB2' ' HB3' ' A' ' 48' ' ' MET . 0.5 OUTLIER -54.99 -46.81 75.18 Favored 'General case' 0 C--N 1.326 -0.434 0 N-CA-C 112.809 0.67 . . . . 0.0 112.809 -165.827 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 76.5 mt-30 -70.58 -27.13 63.88 Favored 'General case' 0 C--N 1.325 -0.477 0 CA-C-O 120.806 0.336 . . . . 0.0 111.218 -178.668 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 19.9 m -80.97 -25.12 37.55 Favored 'General case' 0 C--N 1.326 -0.444 0 CA-C-O 121.188 0.518 . . . . 0.0 110.347 177.142 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -61.84 -51.99 66.0 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 115.648 -0.706 . . . . 0.0 110.932 178.632 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 27' ' ' MET . . . . . 0.657 ' HB2' ' CG2' ' A' ' 38' ' ' VAL . 15.4 mmt -75.43 -16.24 60.36 Favored 'General case' 0 C--N 1.323 -0.572 0 CA-C-N 115.572 -0.74 . . . . 0.0 110.391 -178.639 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 28' ' ' LEU . . . . . 0.432 ' O ' ' HB3' ' A' ' 32' ' ' GLU . 8.7 tt -61.44 -41.8 97.75 Favored 'General case' 0 C--N 1.321 -0.653 0 N-CA-C 108.056 -1.09 . . . . 0.0 108.056 171.453 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 29' ' ' ARG . . . . . 0.447 ' O ' ' HG2' ' A' ' 32' ' ' GLU . 16.5 mmm180 -72.14 -46.84 54.91 Favored 'General case' 0 C--N 1.331 -0.21 0 CA-C-N 115.624 -0.716 . . . . 0.0 111.586 179.363 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 30' ' ' PHE . . . . . 0.406 ' CE2' HD21 ' A' ' 63' ' ' LEU . 21.3 t80 -68.31 -53.98 20.56 Favored 'General case' 0 C--N 1.323 -0.551 0 CA-C-O 121.349 0.595 . . . . 0.0 111.452 -179.858 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -76.02 -18.2 59.36 Favored 'General case' 0 C--N 1.32 -0.691 0 CA-C-N 115.899 -0.592 . . . . 0.0 112.082 -170.054 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 32' ' ' GLU . . . . . 0.447 ' HG2' ' O ' ' A' ' 29' ' ' ARG . 13.7 pt-20 -66.4 -25.6 66.85 Favored 'General case' 0 C--N 1.327 -0.383 0 C-N-CA 119.888 -0.725 . . . . 0.0 109.739 176.377 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 33' ' ' GLN . . . . . . . . . . . . . 77.0 mt-30 -90.12 -13.85 34.89 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 115.737 -0.665 . . . . 0.0 110.502 177.421 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -102.07 -10.95 19.25 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.829 179.305 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 85.85 37.94 9.02 Favored Glycine 0 CA--C 1.517 0.213 0 C-N-CA 121.056 -0.592 . . . . 0.0 112.633 179.661 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 36' ' ' MET . . . . . . . . . . . . . 73.2 mtm -145.9 175.13 10.66 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-O 120.731 0.3 . . . . 0.0 110.451 -178.495 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 37' ' ' GLN . . . . . . . . . . . . . 51.9 tt0 -153.94 161.22 42.16 Favored 'General case' 0 C--N 1.326 -0.424 0 N-CA-C 108.996 -0.742 . . . . 0.0 108.996 177.833 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 38' ' ' VAL . . . . . 0.657 ' CG2' ' HB2' ' A' ' 27' ' ' MET . 39.4 t -76.22 127.01 37.48 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-O 120.667 0.27 . . . . 0.0 110.431 -176.613 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 39' ' ' PHE . . . . . 0.41 ' HB3' ' CG1' ' A' ' 83' ' ' VAL . 43.1 t80 -115.97 124.57 50.88 Favored 'General case' 0 N--CA 1.447 -0.594 0 N-CA-C 109.579 -0.526 . . . . 0.0 109.579 177.946 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 40' ' ' PHE . . . . . . . . . . . . . 31.7 p90 -135.77 146.2 47.36 Favored 'General case' 0 C--N 1.318 -0.8 0 CA-C-N 115.78 -0.646 . . . . 0.0 110.382 -175.038 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 29.2 t70 -130.88 -68.06 0.69 Allowed 'General case' 0 C--N 1.322 -0.591 0 CA-C-N 116.418 -0.355 . . . . 0.0 110.546 179.991 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 47.8 mt-10 -103.27 89.64 3.46 Favored 'General case' 0 C--N 1.323 -0.568 0 CA-C-O 120.953 0.406 . . . . 0.0 110.607 177.594 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 43' ' ' VAL . . . . . . . . . . . . . 7.5 p -150.13 135.63 10.95 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.352 0 CA-C-N 115.982 -0.553 . . . . 0.0 110.409 -179.713 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 37.6 ttpt -150.96 94.23 2.04 Favored 'General case' 0 C--N 1.326 -0.45 0 CA-C-O 120.919 0.39 . . . . 0.0 110.198 176.909 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 45' ' ' LEU . . . . . 0.547 ' O ' ' HG3' ' A' ' 48' ' ' MET . 54.4 tp -143.29 99.61 3.47 Favored 'General case' 0 C--N 1.32 -0.682 0 CA-C-N 115.996 -0.547 . . . . 0.0 110.103 -179.888 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 26.1 t70 -75.36 109.96 9.32 Favored 'General case' 0 C--N 1.319 -0.738 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.328 178.522 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 123.27 21.49 2.51 Favored Glycine 0 N--CA 1.447 -0.625 0 CA-C-N 115.759 -0.655 . . . . 0.0 112.031 -177.288 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 48' ' ' MET . . . . . 0.547 ' HG3' ' O ' ' A' ' 45' ' ' LEU . 67.5 mtm -67.74 119.52 12.6 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 121.101 0.477 . . . . 0.0 110.669 177.552 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 18.2 pt20 -138.01 154.36 49.33 Favored 'General case' 0 C--N 1.321 -0.648 0 CA-C-N 115.964 -0.562 . . . . 0.0 110.328 -177.927 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -88.3 148.76 24.15 Favored 'General case' 0 C--N 1.321 -0.633 0 CA-C-N 115.815 -0.63 . . . . 0.0 110.675 179.481 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -81.79 166.18 20.24 Favored 'General case' 0 C--N 1.322 -0.603 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.467 177.344 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -68.85 89.99 0.41 Allowed 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 121.328 0.585 . . . . 0.0 110.471 179.032 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 1.9 tm? -85.12 115.23 22.8 Favored 'General case' 0 C--N 1.32 -0.68 0 CA-C-N 115.357 -0.838 . . . . 0.0 110.072 -176.56 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 54' ' ' ASN . . . . . . . . . . . . . 6.2 p30 -160.34 100.0 1.33 Allowed 'General case' 0 C--N 1.328 -0.367 0 CA-C-O 121.352 0.596 . . . . 0.0 110.771 176.423 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . 178.63 154.71 13.11 Favored Glycine 0 N--CA 1.447 -0.567 0 C-N-CA 120.391 -0.909 . . . . 0.0 112.719 179.085 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 56' ' ' SER . . . . . 0.532 ' HA ' ' O ' ' A' ' 14' ' ' LYS . 63.9 p -90.09 101.79 14.51 Favored 'General case' 0 C--N 1.324 -0.514 0 N-CA-C 109.538 -0.542 . . . . 0.0 109.538 174.24 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 57' ' ' MET . . . . . . . . . . . . . 11.5 ptt? -151.15 -173.94 4.65 Favored 'General case' 0 C--N 1.321 -0.658 0 CA-C-N 116.572 -0.285 . . . . 0.0 111.48 -173.549 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 15.6 m -93.78 179.93 5.2 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.097 -177.582 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 59' ' ' VAL . . . . . . . . . . . . . 48.1 t -60.13 -52.64 58.84 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.166 0 CA-C-O 120.6 0.238 . . . . 0.0 111.087 -178.364 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 60' ' ' GLU . . . . . 0.407 ' HA ' ' CZ ' ' A' ' 74' ' ' PHE . 27.7 mp0 -53.53 -55.58 24.35 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.067 -0.515 . . . . 0.0 111.272 179.637 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 61' ' ' GLN . . . . . . . . . . . . . 75.6 mt-30 -58.22 -37.57 75.11 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 115.776 -0.647 . . . . 0.0 111.161 -178.607 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 62' ' ' GLY . . . . . 0.526 ' O ' ' HB2' ' A' ' 66' ' ' LEU . . . -67.04 -61.42 5.22 Favored Glycine 0 N--CA 1.445 -0.724 0 C-N-CA 121.044 -0.598 . . . . 0.0 112.566 179.233 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 63' ' ' LEU . . . . . 0.406 HD21 ' CE2' ' A' ' 30' ' ' PHE . 4.5 mm? -58.86 -45.78 89.32 Favored 'General case' 0 C--N 1.331 -0.216 0 N-CA-C 111.721 0.267 . . . . 0.0 111.721 -176.187 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 64' ' ' ARG . . . . . . . . . . . . . 29.6 ttt180 -54.89 -46.35 74.79 Favored 'General case' 0 N--CA 1.446 -0.628 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.97 -177.976 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 65' ' ' ARG . . . . . . . . . . . . . 27.4 ttm180 -76.1 -38.7 56.59 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.64 -179.779 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 66' ' ' LEU . . . . . 0.535 HD11 HD12 ' A' ' 18' ' ' ILE . 1.0 OUTLIER -62.07 -47.64 83.78 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-N 115.289 -0.869 . . . . 0.0 111.013 -176.277 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 67' ' ' ILE . . . . . . . . . . . . . 61.5 mt -78.12 -62.99 1.19 Allowed 'Isoleucine or valine' 0 C--N 1.327 -0.381 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.474 -176.967 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . -113.55 -59.91 0.4 Allowed Glycine 0 N--CA 1.445 -0.71 0 C-N-CA 120.515 -0.85 . . . . 0.0 113.333 -175.497 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . 102.88 -16.16 54.7 Favored Glycine 0 N--CA 1.447 -0.575 0 N-CA-C 110.04 -1.224 . . . . 0.0 110.04 -167.915 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 70' ' ' ASN . . . . . 0.404 ' HB3' ' HD2' ' A' ' 71' ' ' PRO . 15.5 m120 -101.06 159.8 28.48 Favored Pre-proline 0 C--N 1.324 -0.521 0 CA-C-N 114.36 -0.92 . . . . 0.0 109.501 178.801 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 71' ' ' PRO . . . . . 0.404 ' HD2' ' HB3' ' A' ' 70' ' ' ASN . 37.0 Cg_endo -66.53 99.95 0.46 Allowed 'Trans proline' 0 C--N 1.346 0.423 0 C-N-CA 122.667 2.245 . . . . 0.0 113.286 179.962 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 72' ' ' VAL . . . . . 0.473 ' CG1' HD21 ' A' ' 84' ' ' LEU . 1.1 t -133.68 160.4 42.12 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.375 0 N-CA-C 107.894 -1.15 . . . . 0.0 107.894 175.959 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -112.95 119.95 39.72 Favored 'General case' 0 C--N 1.325 -0.494 0 C-N-CA 120.333 -0.547 . . . . 0.0 111.587 -170.355 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 74' ' ' PHE . . . . . 0.491 ' HA ' ' HA ' ' A' ' 84' ' ' LEU . 32.2 p90 -123.12 145.57 48.47 Favored 'General case' 0 C--N 1.317 -0.823 0 CA-C-N 115.688 -0.687 . . . . 0.0 109.882 178.321 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 75' ' ' ARG . . . . . . . . . . . . . 5.0 ptp180 -125.1 125.64 44.08 Favored 'General case' 0 C--N 1.315 -0.899 0 CA-C-O 121.215 0.531 . . . . 0.0 110.389 -178.572 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 76' ' ' LEU . . . . . 0.403 HD22 ' N ' ' A' ' 76' ' ' LEU . 2.7 mm? -83.21 99.66 10.09 Favored 'General case' 0 C--N 1.324 -0.539 0 CA-C-N 115.739 -0.664 . . . . 0.0 109.546 -179.004 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 77' ' ' GLN . . . . . . . . . . . . . 0.4 OUTLIER -85.59 128.06 60.51 Favored Pre-proline 0 N--CA 1.434 -1.227 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.092 -176.124 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 78' ' ' PRO . . . . . . . . . . . . . 41.9 Cg_endo -66.15 -2.8 7.47 Favored 'Trans proline' 0 C--N 1.347 0.491 0 C-N-CA 123.629 2.886 . . . . 0.0 113.571 -173.215 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 79' ' ' GLN . . . . . . . . . . . . . 78.0 mt-30 -83.9 16.57 2.75 Favored 'General case' 0 C--N 1.325 -0.464 0 CA-C-O 121.016 0.436 . . . . 0.0 110.235 176.608 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . 76.3 32.97 50.29 Favored Glycine 0 N--CA 1.448 -0.532 0 CA-C-N 115.708 -0.678 . . . . 0.0 112.134 179.059 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 81' ' ' GLN . . . . . . . . . . . . . 78.6 mt-30 -134.13 118.27 17.51 Favored 'General case' 0 C--N 1.323 -0.562 0 CA-C-O 121.115 0.483 . . . . 0.0 111.506 -174.247 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 82' ' ' ILE . . . . . . . . . . . . . 57.4 mt -92.72 108.07 19.84 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.662 0 N-CA-C 109.144 -0.688 . . . . 0.0 109.144 173.435 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 83' ' ' VAL . . . . . 0.41 ' CG1' ' HB3' ' A' ' 39' ' ' PHE . 17.1 m -116.53 141.37 34.74 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.69 0 CA-C-O 121.284 0.564 . . . . 0.0 110.408 178.841 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 84' ' ' LEU . . . . . 0.667 HD23 ' N ' ' A' ' 85' ' ' SER . 7.7 tt -127.49 149.84 49.94 Favored 'General case' 0 C--N 1.317 -0.845 0 CA-C-N 115.569 -0.741 . . . . 0.0 109.083 -177.673 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 85' ' ' SER . . . . . 0.667 ' N ' HD23 ' A' ' 84' ' ' LEU . 25.1 m -144.18 150.78 38.56 Favored 'General case' 0 C--N 1.325 -0.479 0 N-CA-C 109.894 -0.41 . . . . 0.0 109.894 179.253 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 86' ' ' ARG . . . . . . . . . . . . . 69.1 mtt180 -85.1 75.61 10.33 Favored 'General case' 0 C--N 1.323 -0.562 0 CA-C-O 121.503 0.668 . . . . 0.0 111.415 -176.288 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 87' ' ' LEU . . . . . . . . . . . . . 10.9 mp -83.22 135.08 44.78 Favored Pre-proline 0 C--N 1.324 -0.542 0 CA-C-N 115.101 -0.954 . . . . 0.0 110.382 176.818 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 88' ' ' PRO . . . . . 0.424 ' HD2' HD21 ' A' ' 102' ' ' LEU . 46.7 Cg_endo -68.91 -160.95 0.06 OUTLIER 'Trans proline' 0 CA--C 1.531 0.358 0 C-N-CA 123.067 2.512 . . . . 0.0 112.275 175.909 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 89' ' ' THR . . . . . . . . . . . . . 29.7 m -48.63 118.46 2.54 Favored 'General case' 0 CA--C 1.534 0.341 0 CA-C-O 121.109 0.481 . . . . 0.0 111.647 -178.979 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 90' ' ' ALA . . . . . . . . . . . . . . . -85.79 -179.62 6.87 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 115.953 -0.567 . . . . 0.0 110.474 179.596 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 91' ' ' ASN . . . . . 0.568 ' HB2' ' O ' ' A' ' 95' ' ' GLY . 24.8 p-10 -91.05 4.74 51.33 Favored 'General case' 0 C--N 1.326 -0.448 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.005 -176.482 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 92' ' ' GLY . . . . . . . . . . . . . . . -60.7 -17.24 48.76 Favored Glycine 0 CA--C 1.52 0.397 0 CA-C-N 116.197 -0.456 . . . . 0.0 113.979 -173.911 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 7.0 p-10 -90.15 9.87 26.66 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-O 121.047 0.451 . . . . 0.0 110.629 178.393 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 94' ' ' GLY . . . . . . . . . . . . . . . 94.79 38.23 4.99 Favored Glycine 0 N--CA 1.448 -0.554 0 C-N-CA 120.921 -0.657 . . . . 0.0 111.826 -179.381 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 95' ' ' GLY . . . . . 0.568 ' O ' ' HB2' ' A' ' 91' ' ' ASN . . . -96.96 145.92 18.07 Favored Glycine 0 N--CA 1.445 -0.721 0 C-N-CA 120.723 -0.751 . . . . 0.0 111.869 -179.003 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 96' ' ' ALA . . . . . . . . . . . . . . . -93.41 138.86 31.31 Favored 'General case' 0 C--N 1.321 -0.642 0 N-CA-C 110.429 -0.211 . . . . 0.0 110.429 179.005 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 97' ' ' LEU . . . . . 0.435 ' HA ' ' OD1' ' A' ' 100' ' ' ASP . 93.9 mt 57.81 -147.3 0.52 Allowed 'General case' 0 C--O 1.235 0.339 0 O-C-N 123.422 0.451 . . . . 0.0 110.46 -179.481 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 98' ' ' ALA . . . . . . . . . . . . . . . 71.65 -67.27 0.26 Allowed 'General case' 0 N--CA 1.466 0.343 0 C-N-CA 123.304 0.642 . . . . 0.0 111.341 179.138 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 99' ' ' LEU . . . . . . . . . . . . . 44.4 tp -68.75 -23.35 64.32 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.639 0.257 . . . . 0.0 110.747 -178.711 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 100' ' ' ASP . . . . . 0.435 ' OD1' ' HA ' ' A' ' 97' ' ' LEU . 5.6 m-20 -58.42 -65.26 0.68 Allowed 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.2 -0.454 . . . . 0.0 111.134 179.611 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 18.5 p -71.68 -13.03 61.62 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-O 121.266 0.555 . . . . 0.0 111.01 -179.443 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 102' ' ' LEU . . . . . 0.424 HD21 ' HD2' ' A' ' 88' ' ' PRO . 33.6 tp -78.46 -29.77 47.08 Favored 'General case' 0 C--N 1.325 -0.497 0 CA-C-N 115.845 -0.616 . . . . 0.0 110.185 177.986 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 103' ' ' THR . . . . . . . . . . . . . 31.9 m -94.73 -42.33 8.8 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 115.836 -0.62 . . . . 0.0 110.515 177.733 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 104' ' ' VAL . . . . . . . . . . . . . 94.6 t -69.28 119.12 14.68 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.42 0 CA-C-N 116.061 -0.518 . . . . 0.0 109.693 176.416 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 105' ' ' LEU . . . . . . . . . . . . . 96.5 mt 65.02 25.39 12.63 Favored 'General case' 0 N--CA 1.463 0.222 0 CA-C-O 121.378 0.609 . . . . 0.0 110.086 -173.967 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 106' ' ' GLY . . . . . . . . . . . . . . . -126.05 68.73 0.52 Allowed Glycine 0 N--CA 1.445 -0.742 0 CA-C-N 115.68 -0.691 . . . . 0.0 111.766 179.955 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 107' ' ' ALA . . . . . . . . . . . . . . . -100.19 165.66 11.38 Favored 'General case' 0 C--N 1.323 -0.555 0 CA-C-O 120.888 0.375 . . . . 0.0 110.736 178.995 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 108' ' ' GLY . . . . . . . . . . . . . . . 173.14 168.8 34.85 Favored Glycine 0 N--CA 1.445 -0.766 0 N-CA-C 111.539 -0.625 . . . . 0.0 111.539 -179.573 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 109' ' ' GLY . . . . . . . . . . . . . . . -154.39 98.22 0.18 Allowed Glycine 0 N--CA 1.444 -0.783 0 C-N-CA 120.321 -0.943 . . . . 0.0 112.409 179.45 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 110' ' ' ASN . . . . . . . . . . . . . 4.7 p-10 -165.12 119.24 1.27 Allowed 'General case' 0 C--N 1.326 -0.447 0 CA-C-O 121.123 0.487 . . . . 0.0 109.932 174.669 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 111' ' ' ASN . . . . . . . . . . . . . 3.7 m-20 -89.48 72.32 7.94 Favored 'General case' 0 C--N 1.322 -0.609 0 N-CA-C 109.355 -0.609 . . . . 0.0 109.355 177.431 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 112' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.247 0.965 0 CA-C-N 115.596 -0.729 . . . . 0.0 110.178 -177.372 . . . . . . . . 0 0 . 1 . 011 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 47.7 m . . . . . 0 N--CA 1.475 0.816 0 CA-C-O 120.975 0.417 . . . . 0.0 110.616 . . . . . . . . . 0 0 . 1 . 011 nuclear build full ' A' A ' 7' ' ' MET . . . . . . . . . . . . . 92.5 mtp -96.38 -32.38 12.39 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.026 -177.441 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -66.14 -26.2 67.33 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.353 -0.385 . . . . 0.0 111.37 -177.512 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 9' ' ' GLN . . . . . . . . . . . . . 12.0 pt20 -67.15 -19.33 65.58 Favored 'General case' 0 C--N 1.331 -0.208 0 CA-C-O 120.803 0.335 . . . . 0.0 110.739 178.948 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -97.0 19.43 12.82 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.798 -179.077 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . 67.85 106.12 0.05 OUTLIER 'General case' 0 N--CA 1.463 0.194 0 CA-C-N 115.474 -0.785 . . . . 0.0 111.438 177.969 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 5.5 pm0 -60.27 119.56 8.14 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-O 121.359 0.599 . . . . 0.0 110.408 179.557 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 12.5 pt20 -109.13 125.76 52.51 Favored 'General case' 0 C--N 1.323 -0.573 0 CA-C-N 115.875 -0.602 . . . . 0.0 110.778 -177.061 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 14' ' ' LYS . . . . . 0.417 ' HB2' ' CZ ' ' A' ' 16' ' ' PHE . 13.7 mmmm -112.0 137.03 50.57 Favored 'General case' 0 C--N 1.321 -0.639 0 CA-C-N 115.536 -0.756 . . . . 0.0 109.453 178.821 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 15' ' ' ASN . . . . . . . . . . . . . 23.9 t-20 -81.22 110.1 16.38 Favored 'General case' 0 C--N 1.321 -0.655 0 CA-C-O 120.98 0.419 . . . . 0.0 110.215 179.715 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 16' ' ' PHE . . . . . 0.575 ' O ' ' HA ' ' A' ' 54' ' ' ASN . 52.7 m-85 -101.55 142.64 32.61 Favored 'General case' 0 C--N 1.321 -0.662 0 CA-C-N 115.981 -0.554 . . . . 0.0 110.482 -179.37 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 8.9 t30 -137.35 94.18 2.9 Favored 'General case' 0 C--N 1.325 -0.466 0 N-CA-C 109.196 -0.668 . . . . 0.0 109.196 175.083 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 18' ' ' ILE . . . . . . . . . . . . . 15.9 mm -112.76 118.73 58.67 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.663 0 CA-C-N 115.714 -0.675 . . . . 0.0 111.058 -173.159 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -75.72 152.22 37.5 Favored 'General case' 0 C--N 1.325 -0.475 0 N-CA-C 108.856 -0.794 . . . . 0.0 108.856 172.703 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -67.54 101.15 0.95 Allowed 'General case' 0 C--N 1.332 -0.182 0 CA-C-O 121.49 0.662 . . . . 0.0 110.585 -176.04 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 21' ' ' GLN . . . . . . . . . . . . . 40.0 mt-30 -107.18 168.53 7.89 Favored Pre-proline 0 C--N 1.32 -0.697 0 CA-C-N 114.769 -1.105 . . . . 0.0 110.39 177.846 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 22' ' ' PRO . . . . . 0.493 ' HA ' ' O ' ' A' ' 48' ' ' MET . 34.0 Cg_exo -60.71 134.2 52.7 Favored 'Trans proline' 0 C--N 1.343 0.27 0 C-N-CA 121.902 1.735 . . . . 0.0 109.469 165.29 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 23' ' ' LEU . . . . . 0.496 ' HB2' ' HB3' ' A' ' 48' ' ' MET . 59.6 mt -49.87 -42.16 47.11 Favored 'General case' 0 C--N 1.329 -0.319 0 N-CA-C 114.149 1.166 . . . . 0.0 114.149 -167.596 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 94.0 mt-30 -65.18 -35.12 80.1 Favored 'General case' 0 C--N 1.322 -0.593 0 CA-C-O 120.942 0.401 . . . . 0.0 110.913 -178.092 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 25' ' ' SER . . . . . 0.455 ' O ' ' HG2' ' A' ' 29' ' ' ARG . 15.3 m -83.22 -34.47 25.87 Favored 'General case' 0 C--N 1.325 -0.48 0 CA-C-O 121.096 0.474 . . . . 0.0 109.912 176.392 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -58.02 -58.52 8.05 Favored 'General case' 0 CA--C 1.516 -0.346 0 CA-C-N 115.493 -0.776 . . . . 0.0 111.437 -179.384 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 27' ' ' MET . . . . . 0.541 ' CE ' ' HB3' ' A' ' 66' ' ' LEU . 12.3 mmt -79.18 -13.37 59.75 Favored 'General case' 0 CA--C 1.506 -0.735 0 CA-C-N 115.377 -0.829 . . . . 0.0 110.558 -174.297 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 28' ' ' LEU . . . . . 0.635 ' O ' ' HG3' ' A' ' 32' ' ' GLU . 3.1 tm? -66.36 -53.62 33.97 Favored 'General case' 0 C--N 1.318 -0.797 0 N-CA-C 107.984 -1.117 . . . . 0.0 107.984 167.405 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 29' ' ' ARG . . . . . 0.537 ' HD3' ' OE1' ' A' ' 32' ' ' GLU . 29.1 mmt180 -65.46 -42.49 92.23 Favored 'General case' 0 N--CA 1.464 0.251 0 CA-C-N 116.299 -0.41 . . . . 0.0 111.402 -178.924 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 30' ' ' PHE . . . . . 0.47 ' HB3' ' HA ' ' A' ' 27' ' ' MET . 32.1 t80 -62.61 -52.65 62.52 Favored 'General case' 0 C--N 1.326 -0.455 0 CA-C-O 120.982 0.42 . . . . 0.0 110.823 178.205 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 31' ' ' ALA . . . . . 0.464 ' HA ' ' HB3' ' A' ' 34' ' ' ALA . . . -71.44 -19.56 62.22 Favored 'General case' 0 C--N 1.323 -0.546 0 CA-C-N 116.156 -0.474 . . . . 0.0 111.204 -176.445 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 32' ' ' GLU . . . . . 0.635 ' HG3' ' O ' ' A' ' 28' ' ' LEU . 20.7 mt-10 -53.39 -50.99 63.97 Favored 'General case' 0 N--CA 1.471 0.604 0 CA-C-O 120.921 0.391 . . . . 0.0 111.1 176.383 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 33' ' ' GLN . . . . . . . . . . . . . 4.1 pt20 -83.29 -9.14 59.27 Favored 'General case' 0 C--N 1.325 -0.465 0 CA-C-N 116.059 -0.519 . . . . 0.0 111.061 -178.227 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 34' ' ' ALA . . . . . 0.464 ' HB3' ' HA ' ' A' ' 31' ' ' ALA . . . -94.23 -11.07 31.0 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-O 120.969 0.414 . . . . 0.0 111.086 177.372 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 85.24 37.41 9.9 Favored Glycine 0 CA--C 1.517 0.209 0 CA-C-N 116.033 -0.53 . . . . 0.0 112.718 178.6 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 36' ' ' MET . . . . . 0.452 ' HG2' ' HA2' ' A' ' 80' ' ' GLY . 64.1 mtm -148.83 176.03 10.75 Favored 'General case' 0 C--N 1.328 -0.356 0 C-N-CA 122.566 0.346 . . . . 0.0 110.217 -178.615 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 37' ' ' GLN . . . . . 0.423 ' O ' ' HA ' ' A' ' 81' ' ' GLN . 44.1 tt0 -138.19 144.12 40.55 Favored 'General case' 0 C--N 1.325 -0.5 0 N-CA-C 109.413 -0.588 . . . . 0.0 109.413 173.407 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 38' ' ' VAL . . . . . 0.44 ' HB ' ' HB2' ' A' ' 27' ' ' MET . 6.4 p -77.3 132.75 32.14 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.385 0 N-CA-C 109.618 -0.512 . . . . 0.0 109.618 176.546 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 39' ' ' PHE . . . . . . . . . . . . . 82.9 t80 -89.79 115.36 27.08 Favored 'General case' 0 C--N 1.322 -0.628 0 CA-C-N 115.959 -0.564 . . . . 0.0 110.745 -174.697 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 40' ' ' PHE . . . . . . . . . . . . . 20.9 p90 -142.37 104.87 4.49 Favored 'General case' 0 C--N 1.322 -0.588 0 CA-C-O 121.381 0.61 . . . . 0.0 110.322 178.116 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 32.0 t70 -125.88 -61.5 1.24 Allowed 'General case' 0 C--N 1.321 -0.638 0 CA-C-N 115.955 -0.566 . . . . 0.0 110.295 179.156 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 42.1 mt-10 -97.24 86.73 3.99 Favored 'General case' 0 C--N 1.322 -0.595 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.053 176.117 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 43' ' ' VAL . . . . . . . . . . . . . 4.2 m -151.34 138.29 13.06 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 CA-C-N 115.913 -0.585 . . . . 0.0 110.517 -178.324 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 24.1 ttmm -150.57 89.81 1.59 Allowed 'General case' 0 C--N 1.321 -0.652 0 CA-C-N 116.047 -0.524 . . . . 0.0 109.862 174.998 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 56.3 tp -159.2 125.31 4.43 Favored 'General case' 0 C--N 1.324 -0.528 0 CA-C-N 115.646 -0.706 . . . . 0.0 109.97 -179.597 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 6.6 p-10 -94.22 162.04 14.02 Favored 'General case' 0 C--N 1.322 -0.595 0 CA-C-O 120.903 0.382 . . . . 0.0 110.606 -179.364 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 101.21 10.62 41.56 Favored Glycine 0 N--CA 1.446 -0.646 0 C-N-CA 120.831 -0.7 . . . . 0.0 112.405 178.93 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 48' ' ' MET . . . . . 0.496 ' HB3' ' HB2' ' A' ' 23' ' ' LEU . 64.3 mtt -71.66 117.84 13.74 Favored 'General case' 0 C--N 1.33 -0.264 0 N-CA-C 109.928 -0.397 . . . . 0.0 109.928 -178.996 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 47.6 mt-30 -141.7 126.89 18.53 Favored 'General case' 0 C--N 1.322 -0.591 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.333 -176.587 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -83.93 160.62 21.05 Favored 'General case' 0 C--N 1.321 -0.635 0 CA-C-N 115.99 -0.55 . . . . 0.0 110.913 179.652 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -90.65 154.0 19.89 Favored 'General case' 0 C--N 1.322 -0.601 0 CA-C-N 115.946 -0.57 . . . . 0.0 109.945 175.597 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -70.08 89.7 0.63 Allowed 'General case' 0 C--N 1.328 -0.34 0 CA-C-O 121.145 0.498 . . . . 0.0 110.368 178.915 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 61.5 tp -83.13 113.1 20.4 Favored 'General case' 0 C--N 1.322 -0.607 0 CA-C-N 115.705 -0.68 . . . . 0.0 110.763 -178.247 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 54' ' ' ASN . . . . . 0.575 ' HA ' ' O ' ' A' ' 16' ' ' PHE . 64.0 t30 -138.51 100.92 4.22 Favored 'General case' 0 C--N 1.323 -0.56 0 N-CA-C 109.597 -0.52 . . . . 0.0 109.597 175.798 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . 179.74 165.3 33.51 Favored Glycine 0 N--CA 1.45 -0.395 0 C-N-CA 120.5 -0.857 . . . . 0.0 112.593 -178.037 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 17.4 m -106.22 103.29 12.73 Favored 'General case' 0 C--N 1.325 -0.495 0 CA-C-O 120.754 0.311 . . . . 0.0 110.651 -178.653 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 57' ' ' MET . . . . . . . . . . . . . 12.5 ptt? -162.77 -171.05 2.56 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.283 179.876 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 14.8 m -90.89 -171.22 2.94 Favored 'General case' 0 C--N 1.324 -0.526 0 C-N-CA 120.915 -0.314 . . . . 0.0 111.087 -178.556 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 59' ' ' VAL . . . . . 0.403 HG21 ' HE1' ' A' ' 36' ' ' MET . 24.2 t -66.28 -40.28 86.43 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.338 0 CA-C-N 116.578 -0.283 . . . . 0.0 111.366 -176.411 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 60' ' ' GLU . . . . . 0.725 ' O ' ' HG3' ' A' ' 64' ' ' ARG . 1.7 mp0 -50.31 -70.22 0.09 Allowed 'General case' 0 C--N 1.328 -0.338 0 O-C-N 123.607 0.567 . . . . 0.0 111.376 -175.659 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 61' ' ' GLN . . . . . 0.402 ' HA ' ' HD3' ' A' ' 64' ' ' ARG . 18.3 mm100 -62.2 -34.41 76.4 Favored 'General case' 0 C--N 1.328 -0.35 0 N-CA-C 111.762 0.282 . . . . 0.0 111.762 -174.313 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . -64.55 -53.63 34.1 Favored Glycine 0 N--CA 1.449 -0.495 0 C-N-CA 120.524 -0.846 . . . . 0.0 112.197 178.218 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 63' ' ' LEU . . . . . 0.551 HD12 ' CG ' ' A' ' 74' ' ' PHE . 1.3 tm? -67.49 -32.61 73.55 Favored 'General case' 0 C--N 1.326 -0.453 0 C-N-CA 122.466 0.306 . . . . 0.0 110.623 -176.414 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 64' ' ' ARG . . . . . 0.725 ' HG3' ' O ' ' A' ' 60' ' ' GLU . 71.7 mtp180 -51.92 -59.67 4.06 Favored 'General case' 0 C--O 1.235 0.298 0 CA-C-O 121.046 0.451 . . . . 0.0 110.555 176.578 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 65' ' ' ARG . . . . . . . . . . . . . 51.7 ttt180 -68.63 -33.79 74.62 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 115.441 -0.8 . . . . 0.0 110.856 -177.377 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 66' ' ' LEU . . . . . 0.541 ' HB3' ' CE ' ' A' ' 27' ' ' MET . 9.2 mt -59.03 -55.74 31.26 Favored 'General case' 0 C--N 1.324 -0.535 0 CA-C-N 115.511 -0.768 . . . . 0.0 112.866 -177.184 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 67' ' ' ILE . . . . . 0.561 ' HB ' ' ND2' ' A' ' 111' ' ' ASN . 10.6 mt -79.98 -61.59 1.68 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.345 0 N-CA-C 113.155 0.798 . . . . 0.0 113.155 -170.02 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . -112.38 -63.07 0.46 Allowed Glycine 0 N--CA 1.448 -0.549 0 C-N-CA 119.009 -1.567 . . . . 0.0 114.711 -169.015 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . 84.47 -21.77 10.06 Favored Glycine 0 CA--C 1.52 0.378 0 N-CA-C 110.499 -1.041 . . . . 0.0 110.499 -167.295 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 70' ' ' ASN . . . . . 0.512 ' HB2' ' HD2' ' A' ' 71' ' ' PRO . 27.5 p-10 -101.68 162.56 20.05 Favored Pre-proline 0 C--N 1.327 -0.386 0 C-N-CA 123.534 0.734 . . . . 0.0 109.191 175.314 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 71' ' ' PRO . . . . . 0.512 ' HD2' ' HB2' ' A' ' 70' ' ' ASN . 19.1 Cg_endo -59.25 97.72 0.1 Allowed 'Trans proline' 0 C--N 1.351 0.661 0 C-N-CA 122.552 2.168 . . . . 0.0 113.368 -179.087 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 72' ' ' VAL . . . . . . . . . . . . . 8.2 t -140.56 160.27 24.64 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.393 0 N-CA-C 107.69 -1.226 . . . . 0.0 107.69 174.708 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -117.56 129.72 55.96 Favored 'General case' 0 C--N 1.322 -0.596 0 C-N-CA 120.694 -0.402 . . . . 0.0 111.053 -179.549 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 74' ' ' PHE . . . . . 0.551 ' CG ' HD12 ' A' ' 63' ' ' LEU . 27.6 p90 -115.98 138.85 50.83 Favored 'General case' 0 C--N 1.325 -0.499 0 CA-C-O 121.05 0.452 . . . . 0.0 109.937 174.635 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 75' ' ' ARG . . . . . . . . . . . . . 82.6 mtp180 -114.97 119.62 37.13 Favored 'General case' 0 C--N 1.318 -0.795 0 CA-C-N 115.903 -0.589 . . . . 0.0 110.58 -178.406 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 76' ' ' LEU . . . . . . . . . . . . . 41.2 mt -87.53 99.19 11.85 Favored 'General case' 0 C--N 1.32 -0.712 0 N-CA-C 109.14 -0.689 . . . . 0.0 109.14 176.757 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 77' ' ' GLN . . . . . 0.431 ' HA ' ' HD3' ' A' ' 78' ' ' PRO . 14.9 mm100 -79.43 137.2 55.75 Favored Pre-proline 0 C--N 1.321 -0.649 0 CA-C-N 115.851 -0.613 . . . . 0.0 111.128 -174.03 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 78' ' ' PRO . . . . . 0.431 ' HD3' ' HA ' ' A' ' 77' ' ' GLN . 29.9 Cg_exo -62.8 -6.8 9.85 Favored 'Trans proline' 0 C--N 1.351 0.66 0 C-N-CA 123.566 2.844 . . . . 0.0 113.669 -177.039 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 79' ' ' GLN . . . . . . . . . . . . . 87.6 mm-40 -84.49 -4.49 58.97 Favored 'General case' 0 C--N 1.325 -0.476 0 CA-C-O 120.951 0.405 . . . . 0.0 110.108 176.058 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 80' ' ' GLY . . . . . 0.452 ' HA2' ' HG2' ' A' ' 36' ' ' MET . . . 92.5 39.01 5.44 Favored Glycine 0 N--CA 1.446 -0.697 0 CA-C-N 115.852 -0.613 . . . . 0.0 111.868 -179.997 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 81' ' ' GLN . . . . . 0.423 ' HA ' ' O ' ' A' ' 37' ' ' GLN . 51.8 mt-30 -133.3 130.87 39.5 Favored 'General case' 0 C--N 1.326 -0.443 0 CA-C-O 120.728 0.299 . . . . 0.0 110.867 -176.542 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 82' ' ' ILE . . . . . . . . . . . . . 51.7 mt -96.44 107.6 20.02 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.676 0 N-CA-C 109.451 -0.574 . . . . 0.0 109.451 175.247 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 83' ' ' VAL . . . . . . . . . . . . . 24.8 t -108.39 126.06 65.13 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.562 0 CA-C-N 116.306 -0.406 . . . . 0.0 110.393 -177.982 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 84' ' ' LEU . . . . . . . . . . . . . 21.5 tp -87.06 144.99 26.64 Favored 'General case' 0 C--N 1.322 -0.603 0 N-CA-C 109.461 -0.57 . . . . 0.0 109.461 178.066 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 85' ' ' SER . . . . . . . . . . . . . 47.7 m -143.57 143.29 31.44 Favored 'General case' 0 C--N 1.322 -0.589 0 CA-C-O 121.304 0.573 . . . . 0.0 111.425 -178.393 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 86' ' ' ARG . . . . . . . . . . . . . 38.9 ttm180 -102.7 76.38 1.5 Allowed 'General case' 0 C--N 1.324 -0.527 0 N-CA-C 108.775 -0.824 . . . . 0.0 108.775 177.233 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 87' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -62.42 136.46 95.81 Favored Pre-proline 0 C--N 1.324 -0.539 0 CA-C-N 115.34 -0.845 . . . . 0.0 111.292 -174.641 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 88' ' ' PRO . . . . . . . . . . . . . 38.2 Cg_endo -69.28 107.29 1.73 Allowed 'Trans proline' 0 N--CA 1.463 -0.317 0 C-N-CA 122.45 2.1 . . . . 0.0 111.751 177.935 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 89' ' ' THR . . . . . . . . . . . . . 14.9 m -87.51 108.26 18.95 Favored 'General case' 0 C--N 1.322 -0.593 0 CA-C-N 116.066 -0.516 . . . . 0.0 109.886 -179.744 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 90' ' ' ALA . . . . . . . . . . . . . . . -67.51 109.82 3.39 Favored 'General case' 0 C--N 1.326 -0.451 0 CA-C-O 120.989 0.424 . . . . 0.0 111.167 -177.855 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 91' ' ' ASN . . . . . . . . . . . . . 54.3 m-80 -124.66 -32.46 3.1 Favored 'General case' 0 C--N 1.324 -0.506 0 CA-C-N 115.929 -0.578 . . . . 0.0 110.781 177.128 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 92' ' ' GLY . . . . . . . . . . . . . . . -109.65 16.02 31.57 Favored Glycine 0 N--CA 1.45 -0.411 0 C-N-CA 120.672 -0.775 . . . . 0.0 113.39 -174.172 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 14.4 t70 -92.85 -37.11 12.47 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-O 121.183 0.516 . . . . 0.0 110.292 177.888 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 94' ' ' GLY . . . . . . . . . . . . . . . 96.05 -27.01 18.24 Favored Glycine 0 N--CA 1.446 -0.695 0 C-N-CA 120.982 -0.628 . . . . 0.0 112.979 178.844 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 95' ' ' GLY . . . . . . . . . . . . . . . -176.39 61.18 0.1 Allowed Glycine 0 N--CA 1.446 -0.649 0 C-N-CA 120.347 -0.93 . . . . 0.0 112.345 179.71 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 96' ' ' ALA . . . . . . . . . . . . . . . -79.77 96.62 6.34 Favored 'General case' 0 C--N 1.324 -0.514 0 CA-C-O 120.753 0.311 . . . . 0.0 110.825 -178.54 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 97' ' ' LEU . . . . . . . . . . . . . 88.3 mt -65.83 157.78 29.55 Favored 'General case' 0 C--N 1.324 -0.501 0 CA-C-N 116.077 -0.51 . . . . 0.0 110.176 179.312 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 98' ' ' ALA . . . . . . . . . . . . . . . 71.03 -57.61 0.6 Allowed 'General case' 0 N--CA 1.467 0.383 0 O-C-N 123.986 0.804 . . . . 0.0 111.203 -176.298 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 99' ' ' LEU . . . . . . . . . . . . . 64.0 tp -67.0 -23.21 65.9 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-O 121.079 0.466 . . . . 0.0 110.813 179.435 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 100' ' ' ASP . . . . . . . . . . . . . 34.0 t70 -59.87 -33.47 71.85 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 115.897 -0.592 . . . . 0.0 111.502 -178.876 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 50.8 m -65.0 -29.14 70.04 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-O 121.055 0.455 . . . . 0.0 110.932 178.643 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 102' ' ' LEU . . . . . . . . . . . . . 39.3 tp -82.83 -19.84 36.82 Favored 'General case' 0 C--N 1.326 -0.442 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.075 178.879 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 103' ' ' THR . . . . . . . . . . . . . 8.8 m -78.19 -16.19 58.11 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 115.961 -0.563 . . . . 0.0 110.708 -179.199 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 104' ' ' VAL . . . . . 0.576 HG12 ' H ' ' A' ' 106' ' ' GLY . 48.7 t -64.27 124.55 19.26 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.375 0 CA-C-N 116.002 -0.545 . . . . 0.0 110.103 178.522 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 105' ' ' LEU . . . . . . . . . . . . . 52.9 tp -63.1 -20.03 64.98 Favored 'General case' 0 C--O 1.233 0.191 0 CA-C-N 116.105 -0.498 . . . . 0.0 111.188 -177.012 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 106' ' ' GLY . . . . . 0.576 ' H ' HG12 ' A' ' 104' ' ' VAL . . . -73.0 61.75 1.71 Allowed Glycine 0 N--CA 1.449 -0.437 0 C-N-CA 121.261 -0.495 . . . . 0.0 112.003 174.359 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 107' ' ' ALA . . . . . . . . . . . . . . . -97.92 151.07 20.65 Favored 'General case' 0 C--N 1.322 -0.608 0 N-CA-C 109.852 -0.425 . . . . 0.0 109.852 178.687 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 108' ' ' GLY . . . . . . . . . . . . . . . -70.9 -11.45 69.72 Favored Glycine 0 N--CA 1.45 -0.427 0 CA-C-N 115.989 -0.55 . . . . 0.0 112.852 -178.34 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 109' ' ' GLY . . . . . . . . . . . . . . . -155.26 98.67 0.18 Allowed Glycine 0 N--CA 1.443 -0.896 0 C-N-CA 120.652 -0.785 . . . . 0.0 112.298 178.088 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 110' ' ' ASN . . . . . 0.504 ' O ' ' HG2' ' A' ' 64' ' ' ARG . 21.9 p-10 -130.72 122.74 27.82 Favored 'General case' 0 C--N 1.323 -0.568 0 N-CA-C 109.637 -0.505 . . . . 0.0 109.637 175.449 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 111' ' ' ASN . . . . . 0.561 ' ND2' ' HB ' ' A' ' 67' ' ' ILE . 16.3 m120 -73.11 -2.08 20.02 Favored 'General case' 0 C--N 1.324 -0.514 0 N-CA-C 111.906 0.336 . . . . 0.0 111.906 -173.797 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 112' ' ' ALA . . . . . 0.46 ' HB2' ' HA ' ' A' ' 71' ' ' PRO . . . . . . . . 0 C--O 1.248 0.996 0 CA-C-O 118.75 -0.643 . . . . 0.0 109.878 176.727 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 29.5 t . . . . . 0 N--CA 1.478 0.943 0 N-CA-C 109.98 -0.378 . . . . 0.0 109.98 . . . . . . . . . 0 0 . 1 . 012 nuclear build full ' A' A ' 7' ' ' MET . . . . . . . . . . . . . 15.5 tpt -55.19 -62.53 1.61 Allowed 'General case' 0 C--N 1.331 -0.206 0 N-CA-C 112.126 0.417 . . . . 0.0 112.126 -173.325 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -73.15 -21.41 60.72 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-O 120.97 0.414 . . . . 0.0 111.301 -176.74 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 9' ' ' GLN . . . . . . . . . . . . . 65.2 tt0 -68.71 -30.07 68.64 Favored 'General case' 0 C--N 1.323 -0.563 0 CA-C-O 121.163 0.506 . . . . 0.0 110.27 176.223 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -77.63 -2.94 38.42 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 115.956 -0.565 . . . . 0.0 110.71 177.045 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -119.59 58.02 0.89 Allowed 'General case' 0 C--N 1.325 -0.495 0 CA-C-N 115.692 -0.685 . . . . 0.0 109.274 174.878 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 34.2 tt0 -73.05 101.45 3.26 Favored 'General case' 0 C--N 1.324 -0.535 0 CA-C-N 115.411 -0.813 . . . . 0.0 110.955 -175.443 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 13.9 pt20 -97.14 122.81 40.57 Favored 'General case' 0 C--N 1.323 -0.567 0 CA-C-O 121.091 0.472 . . . . 0.0 109.976 176.728 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 14' ' ' LYS . . . . . 0.552 ' O ' ' HA ' ' A' ' 56' ' ' SER . 30.2 mmmt -116.49 147.53 41.66 Favored 'General case' 0 C--N 1.321 -0.672 0 N-CA-C 109.64 -0.504 . . . . 0.0 109.64 -178.706 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 15' ' ' ASN . . . . . . . . . . . . . 27.0 t-20 -81.28 102.73 10.58 Favored 'General case' 0 C--N 1.321 -0.644 0 CA-C-O 120.973 0.416 . . . . 0.0 109.902 179.664 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 16' ' ' PHE . . . . . 0.401 ' CZ ' ' HB2' ' A' ' 14' ' ' LYS . 80.5 m-85 -99.26 150.45 22.09 Favored 'General case' 0 C--N 1.322 -0.623 0 CA-C-N 115.993 -0.549 . . . . 0.0 110.551 -178.522 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 2.1 p-10 -138.7 89.13 2.34 Favored 'General case' 0 C--N 1.324 -0.537 0 CA-C-O 121.583 0.706 . . . . 0.0 110.217 178.911 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 18' ' ' ILE . . . . . 0.407 HG12 HD12 ' A' ' 53' ' ' LEU . 19.4 mm -115.16 109.27 27.78 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.51 0 CA-C-N 115.888 -0.597 . . . . 0.0 110.718 -176.524 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -73.52 161.23 30.6 Favored 'General case' 0 C--N 1.324 -0.531 0 N-CA-C 108.29 -1.004 . . . . 0.0 108.29 169.507 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -68.0 101.34 1.11 Allowed 'General case' 0 C--N 1.328 -0.337 0 CA-C-O 121.617 0.722 . . . . 0.0 110.212 -176.414 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 21' ' ' GLN . . . . . . . . . . . . . 40.5 mt-30 -106.9 165.1 13.47 Favored Pre-proline 0 C--N 1.319 -0.747 0 CA-C-N 114.609 -1.178 . . . . 0.0 109.591 175.898 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 22' ' ' PRO . . . . . . . . . . . . . 36.2 Cg_exo -61.18 129.27 27.89 Favored 'Trans proline' 0 N--CA 1.461 -0.389 0 C-N-CA 121.553 1.502 . . . . 0.0 109.433 167.662 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 23' ' ' LEU . . . . . 0.47 HD12 ' HB3' ' A' ' 48' ' ' MET . 11.3 mt -51.64 -31.42 25.25 Favored 'General case' 0 CA--C 1.529 0.148 0 N-CA-C 113.565 0.95 . . . . 0.0 113.565 -168.042 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 71.1 mt-30 -63.64 -47.9 79.43 Favored 'General case' 0 C--N 1.326 -0.439 0 CA-C-O 121.181 0.515 . . . . 0.0 110.718 178.446 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 7.7 m -84.74 -24.18 28.94 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-N 115.795 -0.638 . . . . 0.0 110.71 -178.732 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -59.66 -52.98 63.2 Favored 'General case' 0 CA--C 1.517 -0.288 0 CA-C-O 121.253 0.549 . . . . 0.0 110.612 177.157 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 27' ' ' MET . . . . . 0.497 ' O ' ' HB3' ' A' ' 31' ' ' ALA . 22.9 mmt -74.89 -14.24 60.64 Favored 'General case' 0 C--O 1.218 -0.57 0 CA-C-N 115.476 -0.784 . . . . 0.0 110.556 -179.113 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 28' ' ' LEU . . . . . 0.479 ' O ' ' HG3' ' A' ' 32' ' ' GLU . 63.7 tp -66.93 -60.04 2.98 Favored 'General case' 0 C--N 1.318 -0.795 0 N-CA-C 108.592 -0.892 . . . . 0.0 108.592 170.737 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 29' ' ' ARG . . . . . 0.548 ' NE ' ' HA ' ' A' ' 29' ' ' ARG . 1.4 mmp_? -56.89 -46.66 81.76 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 121.04 0.447 . . . . 0.0 111.39 179.246 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 22.5 t80 -68.26 -57.21 6.34 Favored 'General case' 0 C--N 1.323 -0.573 0 CA-C-N 115.801 -0.636 . . . . 0.0 111.898 -178.16 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 31' ' ' ALA . . . . . 0.497 ' HB3' ' O ' ' A' ' 27' ' ' MET . . . -78.18 -17.88 56.22 Favored 'General case' 0 C--N 1.322 -0.593 0 N-CA-C 112.304 0.483 . . . . 0.0 112.304 -169.332 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 32' ' ' GLU . . . . . 0.479 ' HG3' ' O ' ' A' ' 28' ' ' LEU . 31.2 mt-10 -55.07 -37.86 67.32 Favored 'General case' 0 N--CA 1.471 0.58 0 CA-C-O 121.39 0.614 . . . . 0.0 109.515 170.644 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 33' ' ' GLN . . . . . . . . . . . . . 45.9 mt-30 -79.24 -21.28 46.41 Favored 'General case' 0 C--N 1.325 -0.465 0 CA-C-N 115.05 -0.977 . . . . 0.0 110.824 179.914 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -101.68 9.14 41.29 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-N 116.147 -0.479 . . . . 0.0 111.655 -178.646 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 64.54 36.55 93.3 Favored Glycine 0 CA--C 1.519 0.287 0 CA-C-N 116.099 -0.5 . . . . 0.0 112.919 178.114 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 36' ' ' MET . . . . . . . . . . . . . 73.9 mtm -146.83 176.5 9.83 Favored 'General case' 0 C--N 1.326 -0.443 0 N-CA-C 109.876 -0.416 . . . . 0.0 109.876 -178.064 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 37' ' ' GLN . . . . . . . . . . . . . 25.1 mt-30 -153.5 154.88 35.2 Favored 'General case' 0 C--N 1.327 -0.372 0 N-CA-C 109.996 -0.372 . . . . 0.0 109.996 172.29 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 38' ' ' VAL . . . . . 0.433 ' CG1' ' HB2' ' A' ' 27' ' ' MET . 7.6 p -78.14 117.51 23.58 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.36 0 CA-C-O 121.306 0.574 . . . . 0.0 110.09 179.288 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 39' ' ' PHE . . . . . . . . . . . . . 55.7 t80 -122.29 135.46 54.74 Favored 'General case' 0 C--N 1.32 -0.708 0 CA-C-N 116.034 -0.53 . . . . 0.0 110.312 -176.473 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 40' ' ' PHE . . . . . . . . . . . . . 19.1 p90 -147.07 143.68 28.52 Favored 'General case' 0 C--N 1.319 -0.753 0 CA-C-N 115.625 -0.716 . . . . 0.0 109.77 178.884 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 9.1 m-20 -73.62 -168.63 0.59 Allowed 'General case' 0 C--N 1.326 -0.45 0 CA-C-N 115.723 -0.672 . . . . 0.0 110.688 -179.168 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 46.2 mt-10 -62.35 94.53 0.06 Allowed 'General case' 0 C--N 1.328 -0.337 0 CA-C-O 121.255 0.55 . . . . 0.0 111.814 179.892 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 43' ' ' VAL . . . . . . . . . . . . . 7.1 p -150.72 134.97 8.82 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.767 0 CA-C-N 115.418 -0.81 . . . . 0.0 109.057 175.707 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 39.4 ttpt -79.12 110.74 14.65 Favored 'General case' 0 C--N 1.322 -0.621 0 CA-C-O 120.833 0.349 . . . . 0.0 110.294 -178.098 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 82.1 mt -115.22 100.11 7.9 Favored 'General case' 0 C--N 1.322 -0.62 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.107 179.397 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 17.6 t70 -112.28 133.13 54.57 Favored 'General case' 0 C--N 1.323 -0.563 0 CA-C-N 116.038 -0.528 . . . . 0.0 110.28 179.674 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 81.99 22.21 59.8 Favored Glycine 0 N--CA 1.448 -0.528 0 C-N-CA 120.72 -0.753 . . . . 0.0 112.848 177.424 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 48' ' ' MET . . . . . 0.47 ' HB3' HD12 ' A' ' 23' ' ' LEU . 18.9 mmt -80.62 118.37 22.13 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-O 121.041 0.448 . . . . 0.0 110.027 178.113 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 8.7 tt0 -131.72 143.82 50.54 Favored 'General case' 0 C--N 1.324 -0.521 0 CA-C-N 115.822 -0.627 . . . . 0.0 110.115 -174.089 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -83.02 153.03 25.15 Favored 'General case' 0 C--N 1.325 -0.495 0 CA-C-N 116.03 -0.532 . . . . 0.0 110.969 -178.121 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -88.37 169.27 11.96 Favored 'General case' 0 C--N 1.324 -0.5 0 CA-C-N 115.745 -0.662 . . . . 0.0 111.063 -179.841 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -68.52 104.65 1.98 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 115.965 -0.561 . . . . 0.0 110.96 -179.513 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 53' ' ' LEU . . . . . 0.463 ' CB ' HD13 ' A' ' 66' ' ' LEU . 3.4 tm? -121.16 108.12 13.4 Favored 'General case' 0 C--N 1.322 -0.609 0 CA-C-N 115.865 -0.607 . . . . 0.0 109.742 -178.304 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 54' ' ' ASN . . . . . . . . . . . . . 7.2 t30 -149.01 98.87 2.9 Favored 'General case' 0 C--N 1.323 -0.574 0 CA-C-N 116.033 -0.53 . . . . 0.0 109.739 177.35 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . 177.94 174.1 43.96 Favored Glycine 0 N--CA 1.447 -0.601 0 C-N-CA 120.777 -0.725 . . . . 0.0 112.096 -179.407 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 56' ' ' SER . . . . . 0.552 ' HA ' ' O ' ' A' ' 14' ' ' LYS . 24.5 t -97.9 104.33 16.35 Favored 'General case' 0 C--N 1.322 -0.587 0 N-CA-C 109.822 -0.436 . . . . 0.0 109.822 176.696 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 57' ' ' MET . . . . . 0.449 ' SD ' ' HA2' ' A' ' 62' ' ' GLY . 20.7 ptp -150.83 173.0 14.74 Favored 'General case' 0 C--N 1.323 -0.559 0 CA-C-N 116.297 -0.41 . . . . 0.0 110.418 -177.708 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 48.2 m -92.57 166.97 12.24 Favored 'General case' 0 C--N 1.325 -0.482 0 CA-C-N 116.394 -0.366 . . . . 0.0 111.084 -178.814 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 59' ' ' VAL . . . . . 0.406 ' O ' HD23 ' A' ' 63' ' ' LEU . 96.9 t -52.39 -48.2 45.61 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.411 0 O-C-N 123.42 0.45 . . . . 0.0 111.272 -179.431 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 60' ' ' GLU . . . . . 0.474 ' O ' ' HG3' ' A' ' 64' ' ' ARG . 20.4 mp0 -55.81 -33.86 64.81 Favored 'General case' 0 C--N 1.326 -0.438 0 CA-C-N 116.061 -0.518 . . . . 0.0 111.959 -178.41 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 61' ' ' GLN . . . . . . . . . . . . . 86.5 mm-40 -89.52 -42.21 11.58 Favored 'General case' 0 C--N 1.324 -0.529 0 CA-C-O 120.684 0.278 . . . . 0.0 110.918 -177.226 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 62' ' ' GLY . . . . . 0.449 ' HA2' ' SD ' ' A' ' 57' ' ' MET . . . -62.59 -49.72 70.9 Favored Glycine 0 N--CA 1.448 -0.56 0 C-N-CA 121.094 -0.574 . . . . 0.0 112.579 -176.93 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 63' ' ' LEU . . . . . 0.615 HD12 HD11 ' A' ' 67' ' ' ILE . 4.4 mm? -60.17 -33.98 72.96 Favored 'General case' 0 C--N 1.327 -0.382 0 N-CA-C 111.576 0.214 . . . . 0.0 111.576 -177.097 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 64' ' ' ARG . . . . . 0.509 ' HA ' ' HA ' ' A' ' 111' ' ' ASN . 52.2 mtt180 -57.29 -50.13 73.88 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-O 120.877 0.37 . . . . 0.0 110.957 -179.479 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 65' ' ' ARG . . . . . . . . . . . . . 71.0 mtp180 -79.07 -38.11 37.16 Favored 'General case' 0 C--N 1.322 -0.61 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.261 -179.642 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 66' ' ' LEU . . . . . 0.463 HD13 ' CB ' ' A' ' 53' ' ' LEU . 46.0 tp -69.4 -37.28 77.42 Favored 'General case' 0 C--N 1.324 -0.526 0 N-CA-C 112.984 0.735 . . . . 0.0 112.984 -170.898 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 67' ' ' ILE . . . . . 0.615 HD11 HD12 ' A' ' 63' ' ' LEU . 43.2 mt -80.84 -65.02 0.85 Allowed 'Isoleucine or valine' 0 C--N 1.331 -0.214 0 N-CA-C 113.206 0.817 . . . . 0.0 113.206 -171.782 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . -114.2 -63.25 0.41 Allowed Glycine 0 N--CA 1.449 -0.494 0 C-N-CA 118.905 -1.617 . . . . 0.0 115.297 -167.267 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . 83.18 -15.32 34.25 Favored Glycine 0 CA--C 1.521 0.432 0 N-CA-C 110.259 -1.136 . . . . 0.0 110.259 -166.352 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 70' ' ' ASN . . . . . . . . . . . . . 72.3 m-20 -100.68 165.68 13.88 Favored Pre-proline 0 C--N 1.328 -0.338 0 N-CA-C 108.827 -0.805 . . . . 0.0 108.827 176.674 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 71' ' ' PRO . . . . . . . . . . . . . 17.5 Cg_exo -67.31 95.45 0.38 Allowed 'Trans proline' 0 C--N 1.346 0.414 0 C-N-CA 121.723 1.615 . . . . 0.0 111.659 176.708 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 72' ' ' VAL . . . . . . . . . . . . . 12.4 p -152.49 160.39 3.27 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.607 0 N-CA-C 108.216 -1.031 . . . . 0.0 108.216 178.0 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 73' ' ' ALA . . . . . 0.433 ' HB3' HD23 ' A' ' 87' ' ' LEU . . . -122.24 142.08 50.82 Favored 'General case' 0 C--N 1.32 -0.695 0 CA-C-O 121.031 0.444 . . . . 0.0 111.529 -177.978 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 74' ' ' PHE . . . . . . . . . . . . . 15.6 p90 -106.17 126.34 52.09 Favored 'General case' 0 C--N 1.318 -0.772 0 CA-C-N 115.856 -0.611 . . . . 0.0 110.135 174.408 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 75' ' ' ARG . . . . . 0.44 HH11 ' HD3' ' A' ' 75' ' ' ARG . 15.9 ttm180 -107.08 115.95 31.07 Favored 'General case' 0 C--N 1.321 -0.664 0 CA-C-N 116.05 -0.523 . . . . 0.0 109.759 -179.177 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 76' ' ' LEU . . . . . . . . . . . . . 94.2 mt -86.57 103.26 14.9 Favored 'General case' 0 C--N 1.323 -0.564 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.746 -178.764 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 77' ' ' GLN . . . . . . . . . . . . . 13.5 mm100 -72.97 130.01 85.66 Favored Pre-proline 0 C--N 1.323 -0.545 0 N-CA-C 109.344 -0.613 . . . . 0.0 109.344 177.391 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 78' ' ' PRO . . . . . . . . . . . . . 37.0 Cg_exo -61.39 -13.29 28.15 Favored 'Trans proline' 0 C--N 1.347 0.468 0 C-N-CA 122.852 2.368 . . . . 0.0 111.77 177.171 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 79' ' ' GLN . . . . . . . . . . . . . 36.7 mt-30 -69.66 -21.42 63.53 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 115.154 -0.93 . . . . 0.0 110.357 175.871 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . 107.74 33.34 3.1 Favored Glycine 0 N--CA 1.448 -0.527 0 C-N-CA 120.981 -0.628 . . . . 0.0 112.293 -179.202 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 81' ' ' GLN . . . . . . . . . . . . . 98.8 mt-30 -127.58 141.26 51.68 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-O 120.845 0.355 . . . . 0.0 111.099 -178.024 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 82' ' ' ILE . . . . . . . . . . . . . 56.3 mt -103.36 99.43 8.39 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.708 0 N-CA-C 108.926 -0.768 . . . . 0.0 108.926 173.508 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 83' ' ' VAL . . . . . . . . . . . . . 41.4 t -110.3 129.54 65.17 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.638 0 CA-C-N 116.045 -0.525 . . . . 0.0 109.887 -178.16 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 84' ' ' LEU . . . . . . . . . . . . . 9.9 mp -82.07 145.77 30.01 Favored 'General case' 0 C--N 1.321 -0.664 0 CA-C-O 121.177 0.513 . . . . 0.0 111.026 -178.837 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 85' ' ' SER . . . . . . . . . . . . . 21.4 m -133.4 159.09 41.36 Favored 'General case' 0 C--N 1.319 -0.727 0 CA-C-N 115.681 -0.691 . . . . 0.0 109.633 -179.804 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 86' ' ' ARG . . . . . . . . . . . . . 56.2 ttt180 -100.7 103.13 14.38 Favored 'General case' 0 C--N 1.325 -0.478 0 CA-C-O 121.072 0.463 . . . . 0.0 110.735 -179.547 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 87' ' ' LEU . . . . . 0.452 HD13 ' HD2' ' A' ' 88' ' ' PRO . 3.6 mm? -96.03 142.91 25.23 Favored Pre-proline 0 C--N 1.321 -0.669 0 CA-C-N 115.791 -0.64 . . . . 0.0 110.121 177.789 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 88' ' ' PRO . . . . . 0.452 ' HD2' HD13 ' A' ' 87' ' ' LEU . 90.7 Cg_endo -77.09 -150.89 0.04 OUTLIER 'Trans proline' 0 CA--C 1.536 0.592 0 C-N-CA 123.077 2.518 . . . . 0.0 111.97 178.62 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 89' ' ' THR . . . . . . . . . . . . . 8.0 m -35.86 114.04 0.25 Allowed 'General case' 0 CA--C 1.532 0.269 0 C-N-CA 123.591 0.757 . . . . 0.0 112.477 176.607 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 90' ' ' ALA . . . . . . . . . . . . . . . -99.79 -179.72 4.26 Favored 'General case' 0 N--CA 1.451 -0.42 0 CA-C-N 116.017 -0.538 . . . . 0.0 110.463 -179.111 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 91' ' ' ASN . . . . . . . . . . . . . 2.3 p-10 -58.18 -38.05 75.92 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-O 120.535 0.207 . . . . 0.0 110.811 -179.125 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 92' ' ' GLY . . . . . . . . . . . . . . . -70.96 -8.99 65.51 Favored Glycine 0 CA--C 1.52 0.348 0 C-N-CA 121.07 -0.586 . . . . 0.0 112.459 178.242 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 31.9 m-20 -102.4 -1.18 31.3 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-O 121.018 0.437 . . . . 0.0 110.132 177.356 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 94' ' ' GLY . . . . . . . . . . . . . . . 95.52 10.06 57.17 Favored Glycine 0 N--CA 1.449 -0.439 0 C-N-CA 120.907 -0.663 . . . . 0.0 112.293 -176.79 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 95' ' ' GLY . . . . . . . . . . . . . . . -107.65 61.87 0.31 Allowed Glycine 0 N--CA 1.448 -0.503 0 N-CA-C 111.54 -0.624 . . . . 0.0 111.54 177.473 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 96' ' ' ALA . . . . . . . . . . . . . . . -91.83 103.75 16.27 Favored 'General case' 0 C--N 1.322 -0.622 0 CA-C-O 120.658 0.265 . . . . 0.0 110.753 -179.095 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 97' ' ' LEU . . . . . 0.451 ' HG ' ' O ' ' A' ' 100' ' ' ASP . 6.2 mp 57.53 60.97 2.63 Favored 'General case' 0 CA--C 1.519 -0.221 0 CA-C-N 115.806 -0.634 . . . . 0.0 111.108 177.728 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 98' ' ' ALA . . . . . . . . . . . . . . . -65.67 -18.56 65.42 Favored 'General case' 0 C--N 1.328 -0.36 0 N-CA-C 108.376 -0.972 . . . . 0.0 108.376 168.574 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 99' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -149.09 -76.87 0.16 Allowed 'General case' 0 N--CA 1.442 -0.841 0 CA-C-N 114.237 -1.347 . . . . 0.0 109.064 173.996 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 100' ' ' ASP . . . . . 0.516 ' HB3' ' HA ' ' A' ' 105' ' ' LEU . 20.5 t70 -106.97 -73.38 0.69 Allowed 'General case' 0 C--N 1.328 -0.357 0 CA-C-O 121.265 0.555 . . . . 0.0 111.963 -174.925 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 64.2 m -102.89 -70.32 0.76 Allowed 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 115.76 -0.654 . . . . 0.0 110.787 179.793 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 102' ' ' LEU . . . . . . . . . . . . . 39.4 mt -114.28 -72.27 0.71 Allowed 'General case' 0 C--N 1.326 -0.414 0 N-CA-C 108.937 -0.764 . . . . 0.0 108.937 177.111 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 103' ' ' THR . . . . . . . . . . . . . 6.0 m -130.9 -45.03 1.05 Allowed 'General case' 0 C--N 1.323 -0.579 0 CA-C-N 115.378 -0.828 . . . . 0.0 109.096 173.818 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 104' ' ' VAL . . . . . . . . . . . . . 39.5 t -79.7 152.7 4.67 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 CA-C-N 115.004 -0.998 . . . . 0.0 110.21 178.529 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 105' ' ' LEU . . . . . 0.516 ' HA ' ' HB3' ' A' ' 100' ' ' ASP . 6.5 mp -89.28 130.36 35.69 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.459 -0.337 . . . . 0.0 110.284 178.475 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 106' ' ' GLY . . . . . . . . . . . . . . . 91.55 -56.58 3.08 Favored Glycine 0 N--CA 1.449 -0.486 0 C-N-CA 120.694 -0.765 . . . . 0.0 112.217 178.507 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 107' ' ' ALA . . . . . . . . . . . . . . . -88.16 115.54 25.72 Favored 'General case' 0 C--N 1.321 -0.643 0 CA-C-O 120.689 0.28 . . . . 0.0 110.301 178.663 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 108' ' ' GLY . . . . . . . . . . . . . . . -171.86 19.93 0.06 OUTLIER Glycine 0 N--CA 1.446 -0.67 0 C-N-CA 120.418 -0.896 . . . . 0.0 113.219 179.354 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 109' ' ' GLY . . . . . . . . . . . . . . . -87.94 98.21 2.38 Favored Glycine 0 N--CA 1.448 -0.559 0 C-N-CA 120.129 -1.034 . . . . 0.0 111.219 176.478 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 110' ' ' ASN . . . . . . . . . . . . . 6.2 p30 -88.94 137.95 31.85 Favored 'General case' 0 C--N 1.324 -0.54 0 CA-C-O 121.234 0.54 . . . . 0.0 110.978 -175.754 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 111' ' ' ASN . . . . . 0.509 ' HA ' ' HA ' ' A' ' 64' ' ' ARG . 14.4 m120 -86.41 49.48 1.81 Allowed 'General case' 0 C--N 1.322 -0.595 0 CA-C-N 115.716 -0.675 . . . . 0.0 110.87 -179.274 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 112' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.249 1.052 0 CA-C-N 115.845 -0.616 . . . . 0.0 110.073 -178.455 . . . . . . . . 0 0 . 1 . 013 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 19.1 m . . . . . 0 N--CA 1.476 0.832 0 N-CA-C 109.857 -0.423 . . . . 0.0 109.857 . . . . . . . . . 0 0 . 1 . 013 nuclear build full ' A' A ' 7' ' ' MET . . . . . . . . . . . . . 15.7 tpt -163.54 -40.39 0.03 OUTLIER 'General case' 0 C--N 1.327 -0.398 0 CA-C-O 120.825 0.345 . . . . 0.0 111.173 -177.407 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -62.8 -30.44 71.48 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.279 -0.419 . . . . 0.0 111.744 -176.342 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 9' ' ' GLN . . . . . . . . . . . . . 32.0 mm-40 -100.36 6.12 44.48 Favored 'General case' 0 C--N 1.325 -0.497 0 CA-C-O 120.734 0.302 . . . . 0.0 110.717 179.138 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -101.47 -51.21 3.53 Favored 'General case' 0 C--N 1.326 -0.413 0 CA-C-N 116.266 -0.425 . . . . 0.0 110.561 178.416 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -84.4 97.01 9.26 Favored 'General case' 0 C--N 1.324 -0.508 0 CA-C-N 116.019 -0.537 . . . . 0.0 110.262 179.363 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 8.5 tt0 -79.91 103.28 9.7 Favored 'General case' 0 C--N 1.323 -0.551 0 CA-C-N 116.141 -0.482 . . . . 0.0 110.425 -178.692 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 93.4 mt-30 -91.94 134.74 34.51 Favored 'General case' 0 C--N 1.322 -0.59 0 CA-C-N 115.98 -0.554 . . . . 0.0 109.784 178.242 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 14' ' ' LYS . . . . . 0.583 ' HB2' ' CE2' ' A' ' 16' ' ' PHE . 29.1 mmmt -108.72 149.32 29.17 Favored 'General case' 0 C--N 1.322 -0.612 0 N-CA-C 109.869 -0.419 . . . . 0.0 109.869 -175.307 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 15' ' ' ASN . . . . . . . . . . . . . 4.4 m-20 -80.44 99.45 8.0 Favored 'General case' 0 C--N 1.321 -0.673 0 CA-C-N 116.461 -0.336 . . . . 0.0 110.482 -178.781 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 16' ' ' PHE . . . . . 0.583 ' CE2' ' HB2' ' A' ' 14' ' ' LYS . 59.6 m-85 -103.18 136.97 41.98 Favored 'General case' 0 C--N 1.324 -0.542 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.039 -179.158 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 15.6 m120 -137.91 89.82 2.44 Favored 'General case' 0 C--N 1.325 -0.477 0 CA-C-N 115.74 -0.664 . . . . 0.0 109.733 179.42 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 18' ' ' ILE . . . . . 0.409 ' HB ' ' HB3' ' A' ' 53' ' ' LEU . 17.0 mm -112.65 110.05 30.8 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.689 0 CA-C-N 115.801 -0.636 . . . . 0.0 110.368 -175.362 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 19' ' ' ALA . . . . . 0.414 ' O ' ' HG3' ' A' ' 21' ' ' GLN . . . -67.45 158.45 31.78 Favored 'General case' 0 C--N 1.325 -0.486 0 N-CA-C 109.233 -0.654 . . . . 0.0 109.233 173.32 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -69.29 102.35 1.71 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 121.322 0.582 . . . . 0.0 110.714 -176.35 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 21' ' ' GLN . . . . . 0.414 ' HG3' ' O ' ' A' ' 19' ' ' ALA . 67.8 mt-30 -106.96 172.55 3.75 Favored Pre-proline 0 C--N 1.323 -0.584 0 CA-C-N 115.049 -0.978 . . . . 0.0 110.612 179.119 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 22' ' ' PRO . . . . . . . . . . . . . 35.0 Cg_exo -59.65 130.04 33.56 Favored 'Trans proline' 0 C--N 1.349 0.568 0 C-N-CA 121.857 1.705 . . . . 0.0 109.369 165.337 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -49.31 -43.51 43.54 Favored 'General case' 0 N--CA 1.469 0.495 0 N-CA-C 112.987 0.736 . . . . 0.0 112.987 -167.339 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 24' ' ' GLN . . . . . 0.574 ' O ' ' HG ' ' A' ' 28' ' ' LEU . 80.2 mt-30 -62.74 -50.24 71.87 Favored 'General case' 0 C--N 1.325 -0.47 0 CA-C-O 120.728 0.299 . . . . 0.0 110.696 -179.111 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 17.5 m -72.19 -25.37 61.65 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-O 120.985 0.421 . . . . 0.0 110.826 179.946 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -56.47 -54.8 41.47 Favored 'General case' 0 CA--C 1.512 -0.507 0 CA-C-N 115.611 -0.722 . . . . 0.0 111.213 179.489 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 27' ' ' MET . . . . . 0.633 ' HB2' ' CG1' ' A' ' 38' ' ' VAL . 18.9 mmt -78.41 -13.69 59.73 Favored 'General case' 0 C--N 1.318 -0.804 0 CA-C-N 115.207 -0.906 . . . . 0.0 111.058 -173.728 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 28' ' ' LEU . . . . . 0.574 ' HG ' ' O ' ' A' ' 24' ' ' GLN . 77.1 mt -70.47 -24.07 62.8 Favored 'General case' 0 C--N 1.324 -0.536 0 C-N-CA 119.998 -0.681 . . . . 0.0 109.289 172.59 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 29' ' ' ARG . . . . . 0.586 ' NE ' ' HA ' ' A' ' 29' ' ' ARG . 2.4 mmp_? -84.97 -50.46 7.46 Favored 'General case' 0 C--N 1.325 -0.484 0 CA-C-N 116.292 -0.413 . . . . 0.0 110.074 173.949 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 30' ' ' PHE . . . . . 0.449 ' HB3' ' HA ' ' A' ' 27' ' ' MET . 38.4 t80 -62.1 -55.93 23.93 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 115.833 -0.621 . . . . 0.0 111.648 179.896 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -72.29 -42.77 65.13 Favored 'General case' 0 C--N 1.322 -0.629 0 CA-C-N 116.141 -0.481 . . . . 0.0 112.103 -171.467 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 32' ' ' GLU . . . . . 0.485 ' HB2' ' O ' ' A' ' 28' ' ' LEU . 5.3 mm-40 -65.3 -22.72 66.87 Favored 'General case' 0 N--CA 1.465 0.316 0 C-N-CA 120.567 -0.453 . . . . 0.0 111.25 -176.66 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 33' ' ' GLN . . . . . . . . . . . . . 24.9 mm-40 -79.17 -29.49 43.02 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-O 120.992 0.425 . . . . 0.0 110.366 173.327 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -89.32 -9.85 48.95 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.006 -0.543 . . . . 0.0 111.546 179.624 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 97.32 27.79 9.01 Favored Glycine 0 CA--C 1.52 0.399 0 C-N-CA 121.059 -0.591 . . . . 0.0 112.704 178.851 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 36' ' ' MET . . . . . . . . . . . . . 71.8 mtm -136.69 175.56 9.5 Favored 'General case' 0 C--N 1.324 -0.522 0 C-N-CA 122.6 0.36 . . . . 0.0 110.392 -178.787 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 37' ' ' GLN . . . . . 0.513 ' O ' ' HA ' ' A' ' 81' ' ' GLN . 53.7 tt0 -152.57 160.95 43.18 Favored 'General case' 0 C--N 1.324 -0.537 0 N-CA-C 109.025 -0.731 . . . . 0.0 109.025 176.878 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 38' ' ' VAL . . . . . 0.633 ' CG1' ' HB2' ' A' ' 27' ' ' MET . 31.6 m -76.97 145.54 10.05 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.389 0 CA-C-O 120.806 0.336 . . . . 0.0 111.227 -176.578 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 39' ' ' PHE . . . . . 0.435 ' HB2' ' HB3' ' A' ' 81' ' ' GLN . 92.5 t80 -115.04 98.62 6.91 Favored 'General case' 0 C--N 1.324 -0.529 0 N-CA-C 109.645 -0.502 . . . . 0.0 109.645 174.683 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 40' ' ' PHE . . . . . . . . . . . . . 93.1 m-85 -146.92 137.1 23.48 Favored 'General case' 0 C--N 1.321 -0.649 0 CA-C-N 115.638 -0.71 . . . . 0.0 109.595 179.013 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 8.7 p-10 -83.77 -159.64 0.39 Allowed 'General case' 0 C--N 1.325 -0.475 0 N-CA-C 109.411 -0.588 . . . . 0.0 109.411 177.107 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 46.4 mt-10 -67.34 89.07 0.2 Allowed 'General case' 0 C--N 1.325 -0.458 0 CA-C-O 121.179 0.514 . . . . 0.0 110.599 179.208 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 43' ' ' VAL . . . . . . . . . . . . . 7.0 p -123.02 121.27 62.75 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.68 0 CA-C-N 115.806 -0.633 . . . . 0.0 109.613 177.849 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 27.1 ttpp -125.32 100.66 6.61 Favored 'General case' 0 C--N 1.318 -0.771 0 CA-C-N 115.962 -0.563 . . . . 0.0 110.145 -177.216 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 35.0 tp -131.55 120.06 22.37 Favored 'General case' 0 C--N 1.321 -0.636 0 CA-C-N 116.043 -0.526 . . . . 0.0 110.163 -178.164 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 32.3 t70 -72.81 120.37 18.34 Favored 'General case' 0 C--N 1.323 -0.56 0 CA-C-N 116.318 -0.401 . . . . 0.0 110.228 179.693 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 123.41 4.13 8.39 Favored Glycine 0 N--CA 1.443 -0.861 0 C-N-CA 120.71 -0.757 . . . . 0.0 112.317 -177.839 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 48' ' ' MET . . . . . . . . . . . . . 53.5 mtt -75.65 117.73 17.73 Favored 'General case' 0 C--N 1.327 -0.374 0 N-CA-C 109.703 -0.48 . . . . 0.0 109.703 174.727 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 14.4 pt20 -153.21 155.47 36.7 Favored 'General case' 0 C--N 1.322 -0.626 0 CA-C-N 116.491 -0.322 . . . . 0.0 110.327 -176.42 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -102.09 145.95 28.62 Favored 'General case' 0 C--N 1.32 -0.708 0 CA-C-N 116.123 -0.489 . . . . 0.0 110.464 178.849 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -78.17 160.52 27.95 Favored 'General case' 0 C--N 1.323 -0.573 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.281 177.067 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -69.3 92.68 0.59 Allowed 'General case' 0 C--N 1.327 -0.4 0 CA-C-O 121.173 0.511 . . . . 0.0 111.154 -178.5 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 53' ' ' LEU . . . . . 0.409 ' HB3' ' HB ' ' A' ' 18' ' ' ILE . 3.0 tm? -91.38 123.81 35.09 Favored 'General case' 0 C--N 1.324 -0.541 0 CA-C-N 115.572 -0.74 . . . . 0.0 109.802 -179.201 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 54' ' ' ASN . . . . . . . . . . . . . 20.3 p-10 -157.76 99.19 1.69 Allowed 'General case' 0 C--N 1.322 -0.596 0 CA-C-O 121.327 0.584 . . . . 0.0 110.49 176.43 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . 178.37 161.63 26.66 Favored Glycine 0 N--CA 1.445 -0.766 0 C-N-CA 120.335 -0.935 . . . . 0.0 112.624 179.29 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 4.0 p -84.08 99.71 10.64 Favored 'General case' 0 C--N 1.321 -0.651 0 CA-C-O 121.13 0.49 . . . . 0.0 109.772 174.211 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 57' ' ' MET . . . . . 0.46 ' HB2' ' HB2' ' A' ' 61' ' ' GLN . 23.1 ptp -155.2 168.52 26.78 Favored 'General case' 0 C--N 1.322 -0.616 0 CA-C-N 115.922 -0.581 . . . . 0.0 110.146 -174.483 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 13.3 m -99.2 178.0 5.04 Favored 'General case' 0 C--N 1.322 -0.619 0 CA-C-N 116.45 -0.341 . . . . 0.0 110.552 179.789 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 59' ' ' VAL . . . . . . . . . . . . . 24.9 t -58.85 -40.46 80.08 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.293 0 CA-C-O 120.585 0.231 . . . . 0.0 111.152 -175.774 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 22.3 mm-40 -51.67 -38.4 54.78 Favored 'General case' 0 C--N 1.331 -0.213 0 CA-C-N 115.912 -0.585 . . . . 0.0 111.589 178.671 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 61' ' ' GLN . . . . . 0.46 ' HB2' ' HB2' ' A' ' 57' ' ' MET . 32.0 mt-30 -90.95 -47.46 7.57 Favored 'General case' 0 C--N 1.323 -0.577 0 CA-C-N 115.721 -0.672 . . . . 0.0 110.49 -177.555 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 62' ' ' GLY . . . . . 0.452 ' O ' ' HB2' ' A' ' 66' ' ' LEU . . . -63.88 -59.92 7.97 Favored Glycine 0 C--O 1.225 -0.418 0 CA-C-N 115.303 -0.862 . . . . 0.0 113.034 -174.789 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 63' ' ' LEU . . . . . 0.469 ' O ' HD13 ' A' ' 63' ' ' LEU . 1.3 tm? -56.73 -38.16 71.98 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-O 121.386 0.612 . . . . 0.0 109.782 -177.478 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 64' ' ' ARG . . . . . 0.537 ' HG3' ' O ' ' A' ' 110' ' ' ASN . 47.4 ttt180 -51.12 -60.14 3.42 Favored 'General case' 0 N--CA 1.446 -0.666 0 CA-C-N 114.9 -1.046 . . . . 0.0 111.446 177.92 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 65' ' ' ARG . . . . . . . . . . . . . 96.7 mtt180 -77.46 -22.31 51.59 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 116.373 -0.376 . . . . 0.0 111.294 -178.236 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 66' ' ' LEU . . . . . 0.452 ' HB2' ' O ' ' A' ' 62' ' ' GLY . 1.0 OUTLIER -65.5 -41.53 93.14 Favored 'General case' 0 C--N 1.323 -0.554 0 CA-C-N 115.872 -0.603 . . . . 0.0 112.247 -176.122 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 67' ' ' ILE . . . . . 0.416 HG21 ' CD1' ' A' ' 84' ' ' LEU . 13.8 mt -90.05 -63.56 1.34 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 N-CA-C 113.541 0.941 . . . . 0.0 113.541 -170.819 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . -113.51 -61.61 0.42 Allowed Glycine 0 N--CA 1.448 -0.531 0 C-N-CA 119.095 -1.526 . . . . 0.0 114.563 -169.042 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . 91.16 -20.71 38.54 Favored Glycine 0 N--CA 1.45 -0.368 0 N-CA-C 109.885 -1.286 . . . . 0.0 109.885 -166.136 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 70' ' ' ASN . . . . . . . . . . . . . 16.7 m120 -101.54 155.91 35.81 Favored Pre-proline 0 C--N 1.329 -0.306 0 CA-C-N 114.77 -0.715 . . . . 0.0 109.595 176.153 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 71' ' ' PRO . . . . . . . . . . . . . 30.7 Cg_endo -64.69 98.21 0.29 Allowed 'Trans proline' 0 C--N 1.346 0.414 0 C-N-CA 122.625 2.217 . . . . 0.0 113.515 -177.861 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 72' ' ' VAL . . . . . 0.474 ' O ' ' HA ' ' A' ' 110' ' ' ASN . 0.2 OUTLIER -138.3 159.8 32.12 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.4 0 N-CA-C 107.01 -1.478 . . . . 0.0 107.01 171.977 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 73' ' ' ALA . . . . . 0.411 ' HB3' HD23 ' A' ' 87' ' ' LEU . . . -113.71 119.26 36.78 Favored 'General case' 0 C--N 1.325 -0.483 0 CA-C-N 118.697 0.681 . . . . 0.0 112.23 -168.85 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 74' ' ' PHE . . . . . 0.467 ' CD2' HD12 ' A' ' 63' ' ' LEU . 35.3 p90 -113.27 151.47 31.06 Favored 'General case' 0 C--N 1.322 -0.6 0 N-CA-C 109.682 -0.488 . . . . 0.0 109.682 177.317 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 75' ' ' ARG . . . . . . . . . . . . . 20.4 ptp180 -136.74 137.68 40.15 Favored 'General case' 0 C--N 1.325 -0.496 0 C-N-CA 120.626 -0.429 . . . . 0.0 110.442 -179.824 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 76' ' ' LEU . . . . . 0.449 HD12 HG12 ' A' ' 82' ' ' ILE . 1.8 mm? -95.83 103.52 15.41 Favored 'General case' 0 C--N 1.323 -0.549 0 N-CA-C 109.389 -0.597 . . . . 0.0 109.389 179.008 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 77' ' ' GLN . . . . . . . . . . . . . 11.9 mm100 -67.96 144.29 97.01 Favored Pre-proline 0 C--N 1.323 -0.578 0 CA-C-N 116.367 -0.378 . . . . 0.0 110.331 -178.725 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 78' ' ' PRO . . . . . . . . . . . . . 35.1 Cg_endo -64.98 -7.13 14.31 Favored 'Trans proline' 0 C--N 1.349 0.569 0 C-N-CA 123.165 2.577 . . . . 0.0 112.984 -174.826 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 79' ' ' GLN . . . . . . . . . . . . . 75.5 mt-30 -86.92 -3.25 59.06 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-O 121.246 0.546 . . . . 0.0 110.004 175.389 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . 86.8 49.15 4.18 Favored Glycine 0 N--CA 1.443 -0.873 0 CA-C-N 115.622 -0.717 . . . . 0.0 111.64 -177.618 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 81' ' ' GLN . . . . . 0.513 ' HA ' ' O ' ' A' ' 37' ' ' GLN . 35.8 mt-30 -126.91 136.34 52.17 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-O 120.789 0.328 . . . . 0.0 110.903 -178.287 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 82' ' ' ILE . . . . . 0.449 HG12 HD12 ' A' ' 76' ' ' LEU . 39.9 mt -102.22 118.19 48.7 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.617 0 CA-C-N 115.967 -0.561 . . . . 0.0 109.764 175.542 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 83' ' ' VAL . . . . . . . . . . . . . 12.5 p -134.21 140.98 44.96 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.592 0 CA-C-O 121.069 0.461 . . . . 0.0 110.527 178.641 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 84' ' ' LEU . . . . . 0.48 HD23 ' N ' ' A' ' 85' ' ' SER . 1.6 tt -108.82 135.02 50.72 Favored 'General case' 0 N--CA 1.444 -0.765 0 N-CA-C 109.185 -0.672 . . . . 0.0 109.185 -177.415 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 85' ' ' SER . . . . . 0.48 ' N ' HD23 ' A' ' 84' ' ' LEU . 10.9 p -122.21 128.37 51.1 Favored 'General case' 0 C--N 1.322 -0.63 0 N-CA-C 109.592 -0.521 . . . . 0.0 109.592 179.353 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 86' ' ' ARG . . . . . . . . . . . . . 50.5 ttp180 -88.53 95.15 10.12 Favored 'General case' 0 C--N 1.322 -0.616 0 CA-C-O 121.266 0.555 . . . . 0.0 110.633 -176.949 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 87' ' ' LEU . . . . . 0.466 ' HB3' HD21 ' A' ' 102' ' ' LEU . 3.2 mm? -93.59 152.59 40.98 Favored Pre-proline 0 C--N 1.32 -0.683 0 CA-C-N 115.55 -0.75 . . . . 0.0 109.813 175.722 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 88' ' ' PRO . . . . . . . . . . . . . 15.4 Cg_exo -69.28 -161.12 0.07 OUTLIER 'Trans proline' 0 C--N 1.347 0.493 0 C-N-CA 122.987 2.458 . . . . 0.0 113.016 -178.691 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 89' ' ' THR . . . . . . . . . . . . . 52.0 m -66.55 102.7 0.93 Allowed 'General case' 0 C--N 1.327 -0.38 0 CA-C-O 121.106 0.479 . . . . 0.0 110.975 -179.111 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 90' ' ' ALA . . . . . . . . . . . . . . . -71.45 139.55 49.69 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-N 115.944 -0.571 . . . . 0.0 110.967 -179.25 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 91' ' ' ASN . . . . . . . . . . . . . 13.8 m120 -107.98 5.96 26.7 Favored 'General case' 0 C--N 1.325 -0.482 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.935 -178.132 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 92' ' ' GLY . . . . . 0.409 ' HA3' ' OG1' ' A' ' 103' ' ' THR . . . -65.79 6.1 1.54 Allowed Glycine 0 CA--C 1.524 0.652 0 CA-C-N 115.945 -0.57 . . . . 0.0 113.803 -176.733 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 9.1 p-10 -89.19 -1.73 58.2 Favored 'General case' 0 C--N 1.324 -0.508 0 CA-C-O 121.252 0.548 . . . . 0.0 109.767 174.741 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 94' ' ' GLY . . . . . . . . . . . . . . . 92.97 19.08 37.73 Favored Glycine 0 N--CA 1.448 -0.564 0 CA-C-N 115.647 -0.706 . . . . 0.0 111.477 -176.542 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 95' ' ' GLY . . . . . . . . . . . . . . . -78.06 -41.17 18.71 Favored Glycine 0 N--CA 1.448 -0.515 0 C-N-CA 120.927 -0.654 . . . . 0.0 112.987 -177.774 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 96' ' ' ALA . . . . . . . . . . . . . . . -162.46 168.13 22.47 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-O 120.789 0.328 . . . . 0.0 110.864 -176.929 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 97' ' ' LEU . . . . . . . . . . . . . 93.3 mt -101.87 22.76 12.44 Favored 'General case' 0 C--N 1.324 -0.536 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.894 -179.213 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 98' ' ' ALA . . . . . . . . . . . . . . . -81.53 -64.34 1.2 Allowed 'General case' 0 C--N 1.323 -0.583 0 CA-C-O 121.139 0.495 . . . . 0.0 109.826 176.109 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 99' ' ' LEU . . . . . . . . . . . . . 84.4 mt -118.05 47.96 1.49 Allowed 'General case' 0 C--N 1.323 -0.556 0 CA-C-N 115.658 -0.701 . . . . 0.0 110.281 179.488 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 100' ' ' ASP . . . . . . . . . . . . . 10.8 p-10 -75.93 -31.83 59.31 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.325 -0.398 . . . . 0.0 111.154 -178.121 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 33.8 m -86.34 0.7 53.37 Favored 'General case' 0 C--N 1.325 -0.472 0 CA-C-O 120.929 0.395 . . . . 0.0 111.092 179.746 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 102' ' ' LEU . . . . . 0.466 HD21 ' HB3' ' A' ' 87' ' ' LEU . 36.0 tp -65.82 -30.65 71.31 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.906 -178.249 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 103' ' ' THR . . . . . 0.409 ' OG1' ' HA3' ' A' ' 92' ' ' GLY . 7.1 p -79.7 -17.86 52.65 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.151 179.675 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 104' ' ' VAL . . . . . . . . . . . . . 46.4 t -78.56 89.66 1.22 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.422 0 CA-C-N 116.029 -0.532 . . . . 0.0 110.057 -179.803 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 105' ' ' LEU . . . . . . . . . . . . . 62.4 tp -117.62 -19.64 9.3 Favored 'General case' 0 C--N 1.321 -0.643 0 CA-C-N 115.764 -0.653 . . . . 0.0 110.411 -179.481 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 106' ' ' GLY . . . . . . . . . . . . . . . 81.18 -89.11 1.37 Allowed Glycine 0 N--CA 1.446 -0.662 0 C-N-CA 120.677 -0.773 . . . . 0.0 111.568 -176.902 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 107' ' ' ALA . . . . . . . . . . . . . . . -88.56 111.64 22.11 Favored 'General case' 0 C--N 1.323 -0.565 0 N-CA-C 110.146 -0.316 . . . . 0.0 110.146 177.345 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 108' ' ' GLY . . . . . . . . . . . . . . . 132.81 174.27 13.56 Favored Glycine 0 N--CA 1.447 -0.587 0 C-N-CA 120.907 -0.663 . . . . 0.0 111.749 -177.791 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 109' ' ' GLY . . . . . . . . . . . . . . . -159.84 -160.65 10.67 Favored Glycine 0 N--CA 1.448 -0.528 0 C-N-CA 120.869 -0.681 . . . . 0.0 112.066 -178.178 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 110' ' ' ASN . . . . . 0.537 ' O ' ' HG3' ' A' ' 64' ' ' ARG . 9.4 p30 -124.38 153.69 41.48 Favored 'General case' 0 C--N 1.324 -0.533 0 CA-C-O 120.609 0.242 . . . . 0.0 110.402 -179.395 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 111' ' ' ASN . . . . . . . . . . . . . 37.1 m-80 -88.55 21.67 2.86 Favored 'General case' 0 C--N 1.327 -0.373 0 N-CA-C 112.279 0.474 . . . . 0.0 112.279 -175.408 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 112' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.246 0.904 0 CA-C-O 118.278 -0.867 . . . . 0.0 110.753 -179.509 . . . . . . . . 0 0 . 1 . 014 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 14.7 p . . . . . 0 N--CA 1.479 0.994 0 CA-C-O 120.786 0.327 . . . . 0.0 111.493 . . . . . . . . . 0 0 . 1 . 014 nuclear build full ' A' A ' 7' ' ' MET . . . . . . . . . . . . . 64.2 mtt -120.64 43.65 2.69 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-O 120.91 0.386 . . . . 0.0 110.541 179.002 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -64.8 -41.18 96.02 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 116.125 -0.489 . . . . 0.0 111.359 -177.796 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 9' ' ' GLN . . . . . . . . . . . . . 88.6 mt-30 -75.67 -31.35 59.73 Favored 'General case' 0 C--N 1.325 -0.473 0 CA-C-N 116.345 -0.389 . . . . 0.0 110.75 -177.295 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -75.17 -23.02 57.69 Favored 'General case' 0 C--N 1.325 -0.467 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.834 178.14 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . 64.16 -171.99 0.18 Allowed 'General case' 0 C--O 1.233 0.227 0 CA-C-N 115.436 -0.802 . . . . 0.0 111.349 178.355 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 10.7 pt20 -112.02 99.66 8.26 Favored 'General case' 0 C--N 1.322 -0.619 0 CA-C-N 115.88 -0.6 . . . . 0.0 110.139 177.432 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 88.8 mt-30 -96.03 117.22 30.24 Favored 'General case' 0 C--N 1.321 -0.673 0 CA-C-O 121.05 0.452 . . . . 0.0 110.604 178.556 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 14' ' ' LYS . . . . . 0.476 ' HB2' ' CE2' ' A' ' 16' ' ' PHE . 46.0 mmtm -109.85 146.37 35.19 Favored 'General case' 0 C--N 1.315 -0.904 0 CA-C-N 115.63 -0.714 . . . . 0.0 109.646 176.204 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 15' ' ' ASN . . . . . . . . . . . . . 4.8 m-20 -80.0 103.25 9.76 Favored 'General case' 0 C--N 1.322 -0.587 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.244 179.973 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 16' ' ' PHE . . . . . 0.476 ' CE2' ' HB2' ' A' ' 14' ' ' LYS . 68.2 m-85 -109.68 132.59 54.01 Favored 'General case' 0 C--N 1.321 -0.657 0 CA-C-N 115.851 -0.613 . . . . 0.0 110.745 -179.548 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 48.5 t-20 -143.07 100.56 3.66 Favored 'General case' 0 C--N 1.322 -0.615 0 N-CA-C 108.735 -0.839 . . . . 0.0 108.735 173.777 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 18' ' ' ILE . . . . . . . . . . . . . 5.6 mt -123.46 110.06 25.04 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.648 0 CA-C-N 116.065 -0.516 . . . . 0.0 110.42 -176.266 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -63.85 147.65 51.31 Favored 'General case' 0 C--N 1.326 -0.427 0 N-CA-C 108.991 -0.744 . . . . 0.0 108.991 172.333 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -63.36 103.41 0.5 Allowed 'General case' 0 C--N 1.33 -0.254 0 CA-C-O 121.602 0.715 . . . . 0.0 111.248 -173.383 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 21' ' ' GLN . . . . . 0.406 ' HB3' ' HD2' ' A' ' 22' ' ' PRO . 38.8 mt-30 -106.38 172.57 3.8 Favored Pre-proline 0 C--N 1.317 -0.821 0 CA-C-N 114.727 -1.124 . . . . 0.0 109.953 175.685 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 22' ' ' PRO . . . . . 0.406 ' HD2' ' HB3' ' A' ' 21' ' ' GLN . 69.7 Cg_exo -52.66 135.01 55.47 Favored 'Trans proline' 0 C--N 1.345 0.393 0 C-N-CA 121.819 1.68 . . . . 0.0 109.867 166.327 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -55.07 -34.58 63.73 Favored 'General case' 0 N--CA 1.463 0.21 0 CA-C-N 115.385 -0.825 . . . . 0.0 112.148 -168.35 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 18.1 mp0 -65.07 -47.0 78.83 Favored 'General case' 0 C--N 1.325 -0.462 0 CA-C-O 120.987 0.422 . . . . 0.0 110.174 179.718 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 12.7 m -74.81 -30.54 61.44 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-N 115.717 -0.674 . . . . 0.0 110.864 -178.404 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -56.78 -57.95 10.21 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 115.93 -0.577 . . . . 0.0 111.253 -179.268 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 27' ' ' MET . . . . . 0.641 ' HE3' ' HB3' ' A' ' 66' ' ' LEU . 10.8 mmt -82.73 -14.08 55.18 Favored 'General case' 0 CA--C 1.507 -0.676 0 CA-C-N 116.03 -0.532 . . . . 0.0 110.274 -177.409 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 28' ' ' LEU . . . . . 0.62 ' O ' ' HG3' ' A' ' 32' ' ' GLU . 9.7 tt -61.42 -47.83 83.96 Favored 'General case' 0 C--N 1.322 -0.596 0 N-CA-C 107.833 -1.173 . . . . 0.0 107.833 169.279 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 29' ' ' ARG . . . . . 0.437 ' HD3' ' OE1' ' A' ' 32' ' ' GLU . 25.7 mmt180 -64.03 -47.19 81.22 Favored 'General case' 0 C--N 1.331 -0.213 0 CA-C-N 116.035 -0.53 . . . . 0.0 111.596 178.791 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 30' ' ' PHE . . . . . 0.442 ' CE2' HD21 ' A' ' 63' ' ' LEU . 6.3 t80 -61.69 -56.21 22.18 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-O 121.133 0.492 . . . . 0.0 110.848 177.695 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 31' ' ' ALA . . . . . 0.405 ' HB1' ' HB2' ' A' ' 36' ' ' MET . . . -68.33 -17.45 64.26 Favored 'General case' 0 C--N 1.324 -0.529 0 CA-C-N 115.847 -0.615 . . . . 0.0 111.208 -174.053 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 32' ' ' GLU . . . . . 0.62 ' HG3' ' O ' ' A' ' 28' ' ' LEU . 18.9 mt-10 -55.86 -31.97 63.24 Favored 'General case' 0 N--CA 1.47 0.536 0 CA-C-O 120.95 0.405 . . . . 0.0 110.737 171.971 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 33' ' ' GLN . . . . . . . . . . . . . 70.7 mt-30 -84.19 -33.2 24.22 Favored 'General case' 0 C--N 1.325 -0.478 0 CA-C-O 121.011 0.434 . . . . 0.0 110.671 -179.315 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -85.22 -26.12 26.91 Favored 'General case' 0 C--N 1.323 -0.557 0 CA-C-N 115.932 -0.577 . . . . 0.0 111.829 -175.046 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 100.1 33.3 5.25 Favored Glycine 0 N--CA 1.45 -0.418 0 C-N-CA 121.138 -0.553 . . . . 0.0 112.08 -179.299 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 36' ' ' MET . . . . . 0.405 ' HB2' ' HB1' ' A' ' 31' ' ' ALA . 1.1 mpp? -135.5 176.65 8.49 Favored 'General case' 0 C--N 1.323 -0.55 0 CA-C-O 120.896 0.379 . . . . 0.0 110.832 -175.573 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 37' ' ' GLN . . . . . . . . . . . . . 36.0 tt0 -150.41 159.98 44.08 Favored 'General case' 0 C--N 1.323 -0.56 0 N-CA-C 108.985 -0.746 . . . . 0.0 108.985 177.461 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 38' ' ' VAL . . . . . 0.585 ' CG2' ' HB2' ' A' ' 27' ' ' MET . 60.1 t -77.44 133.13 31.31 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-O 120.666 0.27 . . . . 0.0 110.504 -178.241 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 39' ' ' PHE . . . . . . . . . . . . . 85.0 t80 -119.59 125.49 48.91 Favored 'General case' 0 C--N 1.326 -0.428 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.861 -179.885 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 40' ' ' PHE . . . . . . . . . . . . . 8.0 m-85 -90.31 101.06 13.78 Favored 'General case' 0 C--N 1.321 -0.638 0 CA-C-N 115.782 -0.644 . . . . 0.0 110.511 177.712 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 26.7 t70 -82.94 -67.79 0.76 Allowed 'General case' 0 C--N 1.326 -0.415 0 N-CA-C 109.634 -0.506 . . . . 0.0 109.634 177.381 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 42.0 mt-10 -136.79 87.79 2.32 Favored 'General case' 0 C--N 1.321 -0.642 0 CA-C-N 115.944 -0.571 . . . . 0.0 109.762 172.594 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 43' ' ' VAL . . . . . . . . . . . . . 5.1 p -165.04 119.83 0.12 Allowed 'Isoleucine or valine' 0 C--N 1.319 -0.728 0 CA-C-O 121.351 0.596 . . . . 0.0 110.834 179.433 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 26.9 ttpp -126.52 90.67 3.21 Favored 'General case' 0 C--N 1.321 -0.652 0 CA-C-N 115.627 -0.715 . . . . 0.0 109.584 177.521 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 89.1 mt -129.52 99.14 5.07 Favored 'General case' 0 C--N 1.32 -0.701 0 CA-C-N 115.95 -0.568 . . . . 0.0 109.952 -179.718 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 6.9 p-10 -73.63 131.15 41.37 Favored 'General case' 0 C--N 1.322 -0.587 0 N-CA-C 109.638 -0.504 . . . . 0.0 109.638 177.355 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 87.37 21.96 46.26 Favored Glycine 0 N--CA 1.445 -0.727 0 C-N-CA 120.5 -0.857 . . . . 0.0 112.189 -178.498 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 48' ' ' MET . . . . . . . . . . . . . 13.3 ptp -70.08 133.85 47.6 Favored 'General case' 0 C--O 1.234 0.252 0 CA-C-O 120.921 0.391 . . . . 0.0 110.407 177.891 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 79.1 mt-30 -132.04 165.57 23.69 Favored 'General case' 0 C--N 1.322 -0.587 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.88 -176.249 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -107.46 167.36 9.99 Favored 'General case' 0 C--N 1.321 -0.631 0 CA-C-N 115.77 -0.65 . . . . 0.0 110.111 177.871 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -86.93 167.81 13.95 Favored 'General case' 0 C--N 1.323 -0.544 0 CA-C-N 116.318 -0.401 . . . . 0.0 110.721 179.578 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -74.66 89.24 2.23 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-O 121.274 0.559 . . . . 0.0 110.769 -179.571 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 53' ' ' LEU . . . . . 0.439 ' HG ' ' HG ' ' A' ' 66' ' ' LEU . 2.8 tm? -80.3 123.24 27.81 Favored 'General case' 0 C--N 1.32 -0.689 0 CA-C-N 115.423 -0.808 . . . . 0.0 110.177 -178.065 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 54' ' ' ASN . . . . . . . . . . . . . 44.7 t30 -154.32 99.47 2.21 Favored 'General case' 0 C--N 1.322 -0.587 0 N-CA-C 109.91 -0.404 . . . . 0.0 109.91 174.442 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . 177.45 162.32 27.45 Favored Glycine 0 N--CA 1.447 -0.63 0 C-N-CA 120.342 -0.932 . . . . 0.0 112.818 178.548 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 12.6 p -94.07 113.28 25.22 Favored 'General case' 0 C--N 1.321 -0.636 0 N-CA-C 109.344 -0.613 . . . . 0.0 109.344 173.373 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 57' ' ' MET . . . . . 0.603 ' SD ' ' HA2' ' A' ' 62' ' ' GLY . 19.3 ptp -157.85 -178.96 7.7 Favored 'General case' 0 C--N 1.324 -0.537 0 CA-C-N 116.498 -0.319 . . . . 0.0 110.79 -172.994 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 14.7 m -96.09 170.43 9.28 Favored 'General case' 0 C--N 1.325 -0.477 0 CA-C-N 116.368 -0.378 . . . . 0.0 110.067 179.322 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 59' ' ' VAL . . . . . . . . . . . . . 70.9 t -54.17 -49.6 61.2 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.295 0 CA-C-O 120.796 0.332 . . . . 0.0 110.971 -179.575 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 60' ' ' GLU . . . . . 0.48 ' O ' ' HG3' ' A' ' 64' ' ' ARG . 46.8 mt-10 -53.74 -56.86 13.65 Favored 'General case' 0 C--N 1.324 -0.536 0 CA-C-N 115.595 -0.729 . . . . 0.0 111.454 -179.515 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 61' ' ' GLN . . . . . . . . . . . . . 76.4 mt-30 -63.94 -37.1 86.18 Favored 'General case' 0 C--N 1.326 -0.428 0 CA-C-N 115.992 -0.549 . . . . 0.0 111.102 -179.1 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 62' ' ' GLY . . . . . 0.603 ' HA2' ' SD ' ' A' ' 57' ' ' MET . . . -62.47 -53.42 41.9 Favored Glycine 0 N--CA 1.447 -0.631 0 CA-C-N 115.792 -0.64 . . . . 0.0 112.454 -178.931 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 63' ' ' LEU . . . . . 0.442 HD21 ' CE2' ' A' ' 30' ' ' PHE . 4.1 mm? -59.33 -38.98 81.71 Favored 'General case' 0 C--N 1.325 -0.479 0 N-CA-C 111.809 0.3 . . . . 0.0 111.809 -177.967 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 64' ' ' ARG . . . . . 0.538 ' HA ' ' HA ' ' A' ' 111' ' ' ASN . 75.0 mtp180 -56.14 -44.98 79.73 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 116.006 -0.543 . . . . 0.0 111.511 178.785 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 65' ' ' ARG . . . . . . . . . . . . . 67.8 ttt180 -80.18 -29.62 38.7 Favored 'General case' 0 C--N 1.322 -0.613 0 CA-C-O 121.104 0.478 . . . . 0.0 110.614 177.841 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 66' ' ' LEU . . . . . 0.641 ' HB3' ' HE3' ' A' ' 27' ' ' MET . 3.5 mt -70.78 -48.85 52.12 Favored 'General case' 0 C--N 1.322 -0.596 0 CA-C-N 115.617 -0.72 . . . . 0.0 112.803 -174.871 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 67' ' ' ILE . . . . . . . . . . . . . 60.9 mt -88.54 -65.25 0.98 Allowed 'Isoleucine or valine' 0 C--N 1.331 -0.226 0 N-CA-C 113.359 0.874 . . . . 0.0 113.359 -170.255 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . -114.36 -62.17 0.4 Allowed Glycine 0 N--CA 1.448 -0.534 0 C-N-CA 119.046 -1.549 . . . . 0.0 115.475 -165.838 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . 85.63 -21.11 15.3 Favored Glycine 0 N--CA 1.449 -0.462 0 N-CA-C 109.846 -1.301 . . . . 0.0 109.846 -164.339 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 70' ' ' ASN . . . . . . . . . . . . . 9.0 p30 -101.71 154.13 37.49 Favored Pre-proline 0 C--N 1.329 -0.325 0 CA-C-N 114.748 -0.726 . . . . 0.0 109.299 174.542 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 71' ' ' PRO . . . . . . . . . . . . . 29.5 Cg_endo -63.73 98.59 0.24 Allowed 'Trans proline' 0 C--N 1.347 0.487 0 C-N-CA 122.461 2.107 . . . . 0.0 113.051 -177.232 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 72' ' ' VAL . . . . . . . . . . . . . 14.2 p -144.1 145.22 22.01 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.57 0 N-CA-C 107.779 -1.193 . . . . 0.0 107.779 173.606 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 73' ' ' ALA . . . . . 0.58 ' HA ' ' O ' ' A' ' 109' ' ' GLY . . . -97.45 139.69 33.01 Favored 'General case' 0 C--N 1.321 -0.672 0 CA-C-O 121.001 0.429 . . . . 0.0 112.107 -167.231 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 74' ' ' PHE . . . . . . . . . . . . . 5.5 p90 -123.4 131.42 53.64 Favored 'General case' 0 C--N 1.323 -0.568 0 CA-C-N 115.874 -0.603 . . . . 0.0 109.751 174.907 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 75' ' ' ARG . . . . . . . . . . . . . 76.7 mtp180 -110.48 114.91 28.7 Favored 'General case' 0 C--N 1.32 -0.676 0 CA-C-O 120.991 0.424 . . . . 0.0 110.63 -179.626 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 76' ' ' LEU . . . . . . . . . . . . . 46.3 mt -86.32 99.26 11.46 Favored 'General case' 0 C--N 1.322 -0.618 0 CA-C-N 115.588 -0.733 . . . . 0.0 109.685 179.388 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 77' ' ' GLN . . . . . . . . . . . . . 88.2 mt-30 -104.88 132.4 20.92 Favored Pre-proline 0 C--N 1.323 -0.586 0 CA-C-O 120.868 0.366 . . . . 0.0 111.21 -175.886 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 78' ' ' PRO . . . . . . . . . . . . . 37.7 Cg_endo -65.74 -5.23 11.36 Favored 'Trans proline' 0 C--N 1.347 0.487 0 C-N-CA 123.446 2.764 . . . . 0.0 112.394 -178.455 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 79' ' ' GLN . . . . . . . . . . . . . 78.8 mt-30 -67.05 -12.39 59.78 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 115.909 -0.587 . . . . 0.0 110.251 174.299 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . 99.13 34.52 5.09 Favored Glycine 0 N--CA 1.445 -0.726 0 CA-C-N 115.771 -0.65 . . . . 0.0 112.343 177.224 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 81' ' ' GLN . . . . . . . . . . . . . 30.0 pt20 -147.84 146.69 29.2 Favored 'General case' 0 C--N 1.325 -0.488 0 CA-C-O 121.126 0.489 . . . . 0.0 111.431 -177.338 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 82' ' ' ILE . . . . . . . . . . . . . 51.3 mt -105.56 99.8 9.24 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.594 0 N-CA-C 108.575 -0.898 . . . . 0.0 108.575 173.172 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 83' ' ' VAL . . . . . . . . . . . . . 57.2 t -88.46 118.6 34.28 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.646 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.595 -176.352 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 84' ' ' LEU . . . . . . . . . . . . . 19.3 tp -79.07 137.89 37.73 Favored 'General case' 0 C--N 1.323 -0.547 0 N-CA-C 109.111 -0.7 . . . . 0.0 109.111 175.547 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 85' ' ' SER . . . . . . . . . . . . . 50.0 m -142.47 167.23 22.58 Favored 'General case' 0 C--N 1.318 -0.797 0 CA-C-O 120.741 0.305 . . . . 0.0 110.253 -176.904 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 86' ' ' ARG . . . . . . . . . . . . . 38.1 ptt180 -106.49 164.67 11.86 Favored 'General case' 0 N--CA 1.445 -0.701 0 CA-C-N 116.429 -0.35 . . . . 0.0 110.357 179.643 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 87' ' ' LEU . . . . . 0.425 ' N ' HD23 ' A' ' 87' ' ' LEU . 1.5 pt? -136.63 146.29 54.87 Favored Pre-proline 0 C--N 1.319 -0.731 0 CA-C-N 115.945 -0.57 . . . . 0.0 109.894 -179.883 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 88' ' ' PRO . . . . . . . . . . . . . 58.9 Cg_endo -73.24 64.61 4.37 Favored 'Trans proline' 0 CA--C 1.531 0.368 0 C-N-CA 122.577 2.185 . . . . 0.0 112.089 178.441 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 89' ' ' THR . . . . . 0.406 ' OG1' ' HG ' ' A' ' 87' ' ' LEU . 4.1 m -64.99 107.01 1.37 Allowed 'General case' 0 C--N 1.326 -0.432 0 CA-C-N 115.777 -0.647 . . . . 0.0 111.388 -177.931 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 90' ' ' ALA . . . . . . . . . . . . . . . -87.24 168.64 13.02 Favored 'General case' 0 C--N 1.323 -0.574 0 CA-C-N 115.975 -0.557 . . . . 0.0 110.22 177.812 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 91' ' ' ASN . . . . . . . . . . . . . 21.2 t-20 -124.48 -23.06 4.51 Favored 'General case' 0 C--N 1.32 -0.674 0 CA-C-N 116.019 -0.537 . . . . 0.0 110.37 179.213 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 92' ' ' GLY . . . . . . . . . . . . . . . -100.75 7.24 57.49 Favored Glycine 0 N--CA 1.449 -0.448 0 C-N-CA 120.637 -0.792 . . . . 0.0 112.694 -178.715 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 7.1 p-10 -80.13 -23.6 41.06 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-O 121.049 0.452 . . . . 0.0 110.605 -178.994 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 94' ' ' GLY . . . . . . . . . . . . . . . 74.91 25.48 69.22 Favored Glycine 0 N--CA 1.449 -0.445 0 CA-C-N 115.656 -0.702 . . . . 0.0 112.708 176.403 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 95' ' ' GLY . . . . . . . . . . . . . . . 78.03 42.88 15.01 Favored Glycine 0 N--CA 1.446 -0.646 0 C-N-CA 120.842 -0.694 . . . . 0.0 111.91 179.835 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 96' ' ' ALA . . . . . . . . . . . . . . . -140.1 132.58 28.59 Favored 'General case' 0 C--N 1.323 -0.546 0 N-CA-C 110.389 -0.226 . . . . 0.0 110.389 -179.129 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 97' ' ' LEU . . . . . . . . . . . . . 96.7 mt 63.81 -168.75 0.2 Allowed 'General case' 0 C--O 1.235 0.304 0 O-C-N 123.683 0.614 . . . . 0.0 110.855 -178.918 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 98' ' ' ALA . . . . . . . . . . . . . . . 70.88 -57.89 0.58 Allowed 'General case' 0 N--CA 1.469 0.483 0 C-N-CA 123.566 0.747 . . . . 0.0 111.388 -177.747 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 99' ' ' LEU . . . . . . . . . . . . . 46.4 tp -65.03 -36.83 85.64 Favored 'General case' 0 C--N 1.325 -0.486 0 CA-C-O 121.21 0.529 . . . . 0.0 110.081 178.131 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 100' ' ' ASP . . . . . . . . . . . . . 21.5 t70 -59.05 -54.12 50.65 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 115.56 -0.746 . . . . 0.0 111.165 178.82 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 12.5 p -70.89 -14.39 62.37 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-O 121.051 0.453 . . . . 0.0 111.038 -179.277 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 102' ' ' LEU . . . . . . . . . . . . . 44.8 tp -83.59 -8.73 59.26 Favored 'General case' 0 C--N 1.325 -0.471 0 CA-C-O 121.252 0.549 . . . . 0.0 110.313 177.249 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 103' ' ' THR . . . . . . . . . . . . . 20.6 m -106.64 -22.26 12.8 Favored 'General case' 0 C--N 1.323 -0.558 0 CA-C-N 116.147 -0.479 . . . . 0.0 111.262 -177.752 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 104' ' ' VAL . . . . . . . . . . . . . 32.6 m -75.82 141.77 15.35 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-N 116.638 -0.255 . . . . 0.0 110.933 -178.589 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 105' ' ' LEU . . . . . . . . . . . . . 2.2 tm? 66.16 -72.97 0.07 Allowed 'General case' 0 N--CA 1.466 0.365 0 C-N-CA 123.549 0.74 . . . . 0.0 110.575 -176.933 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 106' ' ' GLY . . . . . . . . . . . . . . . -109.77 115.02 4.06 Favored Glycine 0 N--CA 1.446 -0.694 0 N-CA-C 111.188 -0.765 . . . . 0.0 111.188 178.148 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 107' ' ' ALA . . . . . . . . . . . . . . . -75.61 108.78 8.66 Favored 'General case' 0 C--N 1.323 -0.577 0 CA-C-O 121.154 0.502 . . . . 0.0 111.164 -177.805 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 108' ' ' GLY . . . . . . . . . . . . . . . -103.3 85.66 0.51 Allowed Glycine 0 N--CA 1.444 -0.792 0 C-N-CA 120.836 -0.697 . . . . 0.0 111.401 176.141 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 109' ' ' GLY . . . . . 0.58 ' O ' ' HA ' ' A' ' 73' ' ' ALA . . . -67.21 141.93 40.23 Favored Glycine 0 N--CA 1.449 -0.447 0 C-N-CA 120.694 -0.765 . . . . 0.0 111.769 179.998 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 110' ' ' ASN . . . . . . . . . . . . . 25.1 p-10 -90.13 124.62 34.97 Favored 'General case' 0 C--N 1.323 -0.551 0 CA-C-O 121.061 0.458 . . . . 0.0 110.809 -178.815 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 111' ' ' ASN . . . . . 0.538 ' HA ' ' HA ' ' A' ' 64' ' ' ARG . 7.9 m120 -76.16 50.51 0.62 Allowed 'General case' 0 C--N 1.326 -0.422 0 CA-C-N 115.812 -0.631 . . . . 0.0 111.466 179.367 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 112' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.248 0.985 0 CA-C-O 118.791 -0.623 . . . . 0.0 109.791 179.325 . . . . . . . . 0 0 . 1 . 015 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 50.3 m . . . . . 0 N--CA 1.478 0.971 0 CA-C-O 121.122 0.487 . . . . 0.0 110.768 . . . . . . . . . 0 0 . 1 . 015 nuclear build full ' A' A ' 7' ' ' MET . . . . . . . . . . . . . 26.9 ptm -83.59 -16.15 46.39 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.408 -176.903 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -74.4 -44.14 53.3 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 121.015 0.436 . . . . 0.0 110.302 178.431 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 9' ' ' GLN . . . . . . . . . . . . . 81.1 mm-40 -68.33 -19.72 64.68 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.04 -0.527 . . . . 0.0 110.48 175.756 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -92.14 7.08 44.13 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-N 115.829 -0.623 . . . . 0.0 110.962 178.929 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . 67.69 -77.2 0.05 OUTLIER 'General case' 0 N--CA 1.465 0.275 0 C-N-CA 123.543 0.737 . . . . 0.0 111.841 179.313 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 16.7 pt20 -141.33 169.51 17.48 Favored 'General case' 0 C--N 1.324 -0.521 0 CA-C-O 120.86 0.362 . . . . 0.0 111.004 -178.662 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 14.2 pt20 -147.66 124.35 11.15 Favored 'General case' 0 C--N 1.324 -0.514 0 CA-C-N 115.895 -0.593 . . . . 0.0 109.565 174.95 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 14' ' ' LYS . . . . . 0.541 ' HB2' ' CZ ' ' A' ' 16' ' ' PHE . 48.0 mmtm -132.42 163.29 29.08 Favored 'General case' 0 C--N 1.322 -0.604 0 CA-C-N 116.376 -0.375 . . . . 0.0 110.056 -177.387 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 15' ' ' ASN . . . . . . . . . . . . . 53.2 t30 -96.24 108.72 21.24 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-O 121.096 0.474 . . . . 0.0 110.052 178.276 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 16' ' ' PHE . . . . . 0.541 ' CZ ' ' HB2' ' A' ' 14' ' ' LYS . 82.4 m-85 -107.18 149.4 27.74 Favored 'General case' 0 C--N 1.32 -0.713 0 CA-C-N 116.061 -0.518 . . . . 0.0 110.898 -176.58 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 9.0 t30 -142.1 101.05 3.85 Favored 'General case' 0 C--N 1.324 -0.54 0 CA-C-N 115.908 -0.587 . . . . 0.0 109.439 175.774 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 18' ' ' ILE . . . . . 0.492 ' HB ' ' HB3' ' A' ' 53' ' ' LEU . 16.7 mm -120.31 113.81 41.68 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.54 0 CA-C-N 115.824 -0.626 . . . . 0.0 110.591 -174.689 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -72.46 161.48 30.76 Favored 'General case' 0 C--O 1.237 0.411 0 N-CA-C 109.351 -0.611 . . . . 0.0 109.351 172.336 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 20' ' ' ALA . . . . . 0.411 ' HA ' ' HB3' ' A' ' 50' ' ' ALA . . . -67.37 102.48 1.11 Allowed 'General case' 0 C--N 1.331 -0.217 0 CA-C-O 121.331 0.586 . . . . 0.0 110.962 -175.616 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 21' ' ' GLN . . . . . 0.448 ' HB3' ' HD2' ' A' ' 22' ' ' PRO . 40.1 mt-30 -108.85 178.23 1.09 Allowed Pre-proline 0 C--N 1.318 -0.764 0 CA-C-N 115.103 -0.953 . . . . 0.0 110.196 175.002 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 22' ' ' PRO . . . . . 0.448 ' HD2' ' HB3' ' A' ' 21' ' ' GLN . 32.2 Cg_exo -60.84 137.1 70.43 Favored 'Trans proline' 0 C--N 1.346 0.425 0 C-N-CA 121.504 1.469 . . . . 0.0 109.453 163.986 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 24.2 tp -51.7 -39.08 57.67 Favored 'General case' 0 C--N 1.328 -0.334 0 N-CA-C 112.331 0.493 . . . . 0.0 112.331 -166.427 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 91.6 mt-30 -64.22 -52.96 56.25 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.821 0.344 . . . . 0.0 110.85 179.013 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 16.1 m -64.47 -30.78 71.81 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-O 121.17 0.51 . . . . 0.0 110.418 179.316 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -58.22 -57.4 13.04 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 115.663 -0.699 . . . . 0.0 111.104 177.352 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 27' ' ' MET . . . . . 0.488 ' HA ' ' HB3' ' A' ' 30' ' ' PHE . 48.6 mtt -74.67 -18.99 60.44 Favored 'General case' 0 C--N 1.325 -0.457 0 CA-C-N 115.81 -0.632 . . . . 0.0 110.607 -177.681 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 28' ' ' LEU . . . . . 0.42 ' O ' ' HB3' ' A' ' 32' ' ' GLU . 8.3 tt -63.58 -38.85 92.68 Favored 'General case' 0 C--N 1.322 -0.626 0 N-CA-C 108.632 -0.877 . . . . 0.0 108.632 172.187 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 29' ' ' ARG . . . . . 0.588 ' O ' ' HG2' ' A' ' 32' ' ' GLU . 35.7 mmt180 -81.61 -40.71 22.58 Favored 'General case' 0 C--N 1.332 -0.193 0 CA-C-N 115.689 -0.687 . . . . 0.0 111.468 179.73 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 30' ' ' PHE . . . . . 0.488 ' HB3' ' HA ' ' A' ' 27' ' ' MET . 37.6 t80 -62.99 -54.14 42.93 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-O 121.262 0.553 . . . . 0.0 110.502 177.13 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 31' ' ' ALA . . . . . 0.406 ' HA ' ' HB3' ' A' ' 34' ' ' ALA . . . -70.97 -23.29 62.18 Favored 'General case' 0 N--CA 1.444 -0.769 0 CA-C-N 115.704 -0.68 . . . . 0.0 111.467 -173.865 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 32' ' ' GLU . . . . . 0.588 ' HG2' ' O ' ' A' ' 29' ' ' ARG . 8.6 pt-20 -67.53 -23.05 65.4 Favored 'General case' 0 N--CA 1.466 0.336 0 C-N-CA 119.792 -0.763 . . . . 0.0 110.437 179.422 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 33' ' ' GLN . . . . . . . . . . . . . 54.4 mt-30 -89.19 -30.18 18.74 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 121.144 0.497 . . . . 0.0 109.931 174.392 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 34' ' ' ALA . . . . . 0.406 ' HB3' ' HA ' ' A' ' 31' ' ' ALA . . . -79.77 -26.32 40.68 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 115.706 -0.679 . . . . 0.0 112.032 -177.134 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 105.86 37.82 2.48 Favored Glycine 0 N--CA 1.453 -0.222 0 C-N-CA 121.061 -0.59 . . . . 0.0 112.197 -179.448 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 36' ' ' MET . . . . . . . . . . . . . 56.9 mtm -154.24 176.18 12.59 Favored 'General case' 0 C--N 1.328 -0.352 0 C-N-CA 123.072 0.549 . . . . 0.0 110.234 -177.593 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 37' ' ' GLN . . . . . 0.406 ' O ' ' HA ' ' A' ' 81' ' ' GLN . 52.0 tt0 -141.35 143.33 33.95 Favored 'General case' 0 C--N 1.322 -0.605 0 N-CA-C 109.033 -0.729 . . . . 0.0 109.033 169.704 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 8.3 p -77.7 137.56 22.03 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 N-CA-C 110.049 -0.352 . . . . 0.0 110.049 -179.399 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 39' ' ' PHE . . . . . . . . . . . . . 90.6 t80 -131.64 137.17 48.24 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-O 121.175 0.512 . . . . 0.0 111.841 -171.797 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 40' ' ' PHE . . . . . . . . . . . . . 71.3 m-85 -134.74 162.14 33.19 Favored 'General case' 0 C--N 1.323 -0.57 0 N-CA-C 108.212 -1.033 . . . . 0.0 108.212 172.883 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 41' ' ' ASP . . . . . 0.448 ' CG ' ' H ' ' A' ' 42' ' ' GLU . 3.3 p-10 -81.81 -87.39 0.09 Allowed 'General case' 0 C--N 1.324 -0.511 0 C-N-CA 120.261 -0.576 . . . . 0.0 110.385 176.975 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 42' ' ' GLU . . . . . 0.448 ' H ' ' CG ' ' A' ' 41' ' ' ASP . 45.7 mt-10 -131.03 87.86 2.53 Favored 'General case' 0 C--N 1.317 -0.818 0 N-CA-C 108.627 -0.879 . . . . 0.0 108.627 172.688 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 43' ' ' VAL . . . . . . . . . . . . . 62.1 t -121.0 109.39 25.08 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.669 0 CA-C-N 115.79 -0.641 . . . . 0.0 111.046 -177.039 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 39.8 ttmt -102.93 89.68 3.53 Favored 'General case' 0 C--N 1.323 -0.553 0 CA-C-N 115.797 -0.638 . . . . 0.0 109.383 176.006 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 92.9 mt -142.92 137.01 29.15 Favored 'General case' 0 C--N 1.324 -0.54 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.46 -179.298 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 4.6 p-10 -130.78 155.73 46.18 Favored 'General case' 0 C--N 1.32 -0.676 0 CA-C-N 116.166 -0.47 . . . . 0.0 109.752 175.501 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 123.15 -14.1 8.37 Favored Glycine 0 N--CA 1.444 -0.802 0 C-N-CA 120.384 -0.913 . . . . 0.0 112.594 179.465 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 48' ' ' MET . . . . . . . . . . . . . 5.1 mpp? -63.77 139.92 58.82 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 120.988 0.423 . . . . 0.0 110.567 178.332 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 86.3 mt-30 -106.06 120.95 43.1 Favored 'General case' 0 C--N 1.32 -0.692 0 CA-C-N 116.079 -0.51 . . . . 0.0 110.476 -177.204 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 50' ' ' ALA . . . . . 0.411 ' HB3' ' HA ' ' A' ' 20' ' ' ALA . . . -83.54 101.13 11.23 Favored 'General case' 0 C--N 1.324 -0.52 0 N-CA-C 109.491 -0.559 . . . . 0.0 109.491 175.478 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -60.99 155.79 19.22 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 115.68 -0.691 . . . . 0.0 111.096 -177.744 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -55.49 109.34 0.54 Allowed 'General case' 0 C--N 1.331 -0.209 0 CA-C-N 115.75 -0.659 . . . . 0.0 110.914 -178.274 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 53' ' ' LEU . . . . . 0.492 ' HB3' ' HB ' ' A' ' 18' ' ' ILE . 1.1 tm? -108.74 102.0 11.08 Favored 'General case' 0 C--N 1.32 -0.676 0 CA-C-N 115.611 -0.722 . . . . 0.0 109.259 -177.967 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 54' ' ' ASN . . . . . 0.541 ' HA ' ' O ' ' A' ' 16' ' ' PHE . 50.3 t-20 -151.8 99.33 2.57 Favored 'General case' 0 C--N 1.324 -0.53 0 N-CA-C 109.831 -0.433 . . . . 0.0 109.831 178.314 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . 178.16 165.68 33.33 Favored Glycine 0 N--CA 1.448 -0.564 0 C-N-CA 120.547 -0.835 . . . . 0.0 112.56 -179.889 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 56' ' ' SER . . . . . 0.537 ' HA ' ' O ' ' A' ' 14' ' ' LYS . 51.0 m -99.26 105.11 17.1 Favored 'General case' 0 C--N 1.326 -0.44 0 N-CA-C 109.459 -0.571 . . . . 0.0 109.459 175.203 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 57' ' ' MET . . . . . . . . . . . . . 14.6 ptt? -157.24 -178.37 7.3 Favored 'General case' 0 C--N 1.324 -0.519 0 CA-C-N 116.053 -0.521 . . . . 0.0 111.188 -173.986 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 25.4 m -92.81 174.46 7.24 Favored 'General case' 0 C--N 1.325 -0.46 0 CA-C-N 116.031 -0.531 . . . . 0.0 111.447 -176.317 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 59' ' ' VAL . . . . . . . . . . . . . 31.0 t -58.86 -48.86 84.99 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.536 -0.302 . . . . 0.0 111.065 -178.73 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 25.6 mp0 -52.17 -51.85 55.54 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-N 116.066 -0.515 . . . . 0.0 110.528 179.132 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 61' ' ' GLN . . . . . . . . . . . . . 46.7 mt-30 -64.72 -46.65 81.4 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 115.742 -0.663 . . . . 0.0 111.13 -179.101 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . -58.86 -44.82 95.75 Favored Glycine 0 N--CA 1.449 -0.497 0 CA-C-N 115.87 -0.604 . . . . 0.0 112.459 -178.947 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 63' ' ' LEU . . . . . 0.527 ' O ' HG13 ' A' ' 67' ' ' ILE . 4.0 mm? -69.56 -41.95 75.19 Favored 'General case' 0 C--N 1.323 -0.548 0 C-N-CA 121.375 -0.13 . . . . 0.0 110.99 179.118 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 64' ' ' ARG . . . . . . . . . . . . . 72.3 mtp180 -53.79 -32.65 53.3 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-O 120.707 0.289 . . . . 0.0 111.108 176.605 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 65' ' ' ARG . . . . . . . . . . . . . 20.5 ttm180 -81.39 -46.07 15.18 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.484 -0.325 . . . . 0.0 110.9 176.511 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 7.3 mt -59.91 -41.28 91.33 Favored 'General case' 0 N--CA 1.472 0.64 0 CA-C-O 121.332 0.587 . . . . 0.0 111.908 -179.736 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 67' ' ' ILE . . . . . 0.527 HG13 ' O ' ' A' ' 63' ' ' LEU . 8.7 mt -90.25 18.46 0.75 Allowed 'Isoleucine or valine' 0 C--N 1.319 -0.735 0 CA-C-N 115.422 -0.808 . . . . 0.0 110.24 -179.467 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . -33.26 26.31 0.0 OUTLIER Glycine 0 N--CA 1.485 1.96 0 C-N-CA 128.236 2.827 . . . . 0.0 120.145 177.866 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 69' ' ' GLY . . . . . 0.419 ' N ' ' O ' ' A' ' 67' ' ' ILE . . . 116.04 30.03 2.22 Favored Glycine 0 C--N 1.314 -0.654 0 CA-C-N 119.188 1.494 . . . . 0.0 112.318 -173.313 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 70' ' ' ASN . . . . . . . . . . . . . 43.2 m-80 -102.16 118.23 59.55 Favored Pre-proline 0 C--N 1.322 -0.595 0 N-CA-C 107.014 -1.476 . . . . 0.0 107.014 159.328 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 71' ' ' PRO . . . . . . . . . . . . . 19.6 Cg_exo -67.12 94.18 0.35 Allowed 'Trans proline' 0 C--O 1.235 0.361 0 C-N-CA 121.358 1.372 . . . . 0.0 112.182 -175.741 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 72' ' ' VAL . . . . . . . . . . . . . 14.1 p -156.72 146.61 11.47 Favored 'Isoleucine or valine' 0 N--CA 1.449 -0.522 0 CA-C-N 115.709 -0.678 . . . . 0.0 110.145 176.501 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -100.63 132.85 45.81 Favored 'General case' 0 C--N 1.324 -0.541 0 N-CA-C 110.044 -0.354 . . . . 0.0 110.044 177.463 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 74' ' ' PHE . . . . . 0.4 ' CD2' ' HG ' ' A' ' 63' ' ' LEU . 3.3 p90 -115.18 128.62 56.3 Favored 'General case' 0 C--N 1.332 -0.165 0 CA-C-O 121.336 0.589 . . . . 0.0 111.164 -176.767 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 75' ' ' ARG . . . . . 0.527 ' HG2' ' O ' ' A' ' 83' ' ' VAL . 14.7 ptm180 -118.03 127.81 54.17 Favored 'General case' 0 C--N 1.318 -0.771 0 N-CA-C 109.525 -0.546 . . . . 0.0 109.525 177.59 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 76' ' ' LEU . . . . . 0.418 HD23 HG23 ' A' ' 82' ' ' ILE . 76.4 mt -91.33 99.59 12.54 Favored 'General case' 0 C--N 1.319 -0.739 0 CA-C-O 121.221 0.534 . . . . 0.0 110.056 -177.558 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 77' ' ' GLN . . . . . 0.507 ' HA ' ' HD3' ' A' ' 78' ' ' PRO . 0.0 OUTLIER -88.79 131.62 40.97 Favored Pre-proline 0 N--CA 1.441 -0.903 0 CA-C-N 115.536 -0.756 . . . . 0.0 110.012 -176.039 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 78' ' ' PRO . . . . . 0.507 ' HD3' ' HA ' ' A' ' 77' ' ' GLN . 29.9 Cg_exo -63.28 3.18 0.64 Allowed 'Trans proline' 0 N--CA 1.48 0.707 0 C-N-CA 123.681 2.921 . . . . 0.0 114.526 -173.988 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 79' ' ' GLN . . . . . . . . . . . . . 77.5 mt-30 -93.36 23.2 4.64 Favored 'General case' 0 C--N 1.324 -0.534 0 CA-C-O 121.089 0.471 . . . . 0.0 110.452 177.388 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . 71.07 28.99 69.43 Favored Glycine 0 N--CA 1.447 -0.577 0 CA-C-N 115.728 -0.669 . . . . 0.0 112.759 178.474 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 81' ' ' GLN . . . . . 0.406 ' HA ' ' O ' ' A' ' 37' ' ' GLN . 97.2 mt-30 -131.57 132.84 44.43 Favored 'General case' 0 C--N 1.324 -0.513 0 CA-C-O 120.947 0.403 . . . . 0.0 111.28 -177.675 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 82' ' ' ILE . . . . . 0.418 HG23 HD23 ' A' ' 76' ' ' LEU . 48.2 mt -98.95 100.8 11.16 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.55 0 N-CA-C 108.835 -0.802 . . . . 0.0 108.835 175.08 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 83' ' ' VAL . . . . . 0.527 ' O ' ' HG2' ' A' ' 75' ' ' ARG . 39.6 t -91.39 120.55 40.6 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.669 0 CA-C-N 116.438 -0.346 . . . . 0.0 110.256 -176.777 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 84' ' ' LEU . . . . . . . . . . . . . 6.3 mp -112.65 148.11 35.33 Favored 'General case' 0 C--N 1.322 -0.63 0 CA-C-O 120.857 0.361 . . . . 0.0 110.649 177.619 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 85' ' ' SER . . . . . . . . . . . . . 5.6 p -148.81 135.18 19.43 Favored 'General case' 0 C--N 1.32 -0.708 0 CA-C-N 115.76 -0.655 . . . . 0.0 110.325 179.921 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 86' ' ' ARG . . . . . . . . . . . . . 33.6 ttm180 -81.77 81.06 7.92 Favored 'General case' 0 C--N 1.324 -0.543 0 N-CA-C 108.885 -0.783 . . . . 0.0 108.885 176.239 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 87' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -59.23 133.55 87.92 Favored Pre-proline 0 C--N 1.322 -0.623 0 CA-C-N 114.352 -1.294 . . . . 0.0 110.653 -179.434 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 88' ' ' PRO . . . . . . . . . . . . . 19.5 Cg_endo -59.46 95.96 0.09 OUTLIER 'Trans proline' 0 C--N 1.346 0.416 0 C-N-CA 122.898 2.398 . . . . 0.0 111.985 179.897 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 89' ' ' THR . . . . . . . . . . . . . 24.4 m -85.46 93.84 8.85 Favored 'General case' 0 C--N 1.322 -0.62 0 CA-C-N 115.983 -0.553 . . . . 0.0 110.774 -177.74 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 90' ' ' ALA . . . . . . . . . . . . . . . -95.22 136.03 36.08 Favored 'General case' 0 C--N 1.32 -0.703 0 CA-C-N 115.981 -0.554 . . . . 0.0 110.464 178.497 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 91' ' ' ASN . . . . . . . . . . . . . 17.8 m120 -98.71 -10.84 22.61 Favored 'General case' 0 C--N 1.325 -0.496 0 CA-C-O 121.023 0.44 . . . . 0.0 110.809 179.307 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 92' ' ' GLY . . . . . . . . . . . . . . . -106.82 30.3 9.61 Favored Glycine 0 N--CA 1.449 -0.485 0 C-N-CA 120.767 -0.73 . . . . 0.0 111.92 179.323 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 17.4 t70 -108.39 -35.84 6.4 Favored 'General case' 0 C--N 1.323 -0.566 0 CA-C-O 121.132 0.491 . . . . 0.0 110.968 -178.201 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 94' ' ' GLY . . . . . . . . . . . . . . . 95.28 -21.09 46.18 Favored Glycine 0 N--CA 1.448 -0.551 0 C-N-CA 120.929 -0.653 . . . . 0.0 111.936 -178.221 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 95' ' ' GLY . . . . . . . . . . . . . . . 100.59 51.0 1.24 Allowed Glycine 0 N--CA 1.447 -0.619 0 C-N-CA 120.999 -0.619 . . . . 0.0 111.96 179.847 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 96' ' ' ALA . . . . . . . . . . . . . . . -74.12 179.02 4.65 Favored 'General case' 0 C--N 1.328 -0.34 0 C-N-CA 121.963 0.105 . . . . 0.0 110.731 -179.317 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 97' ' ' LEU . . . . . . . . . . . . . 46.5 tp -56.3 -39.19 72.32 Favored 'General case' 0 C--N 1.328 -0.349 0 N-CA-C 112.255 0.465 . . . . 0.0 112.255 -172.433 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 98' ' ' ALA . . . . . . . . . . . . . . . -58.59 -46.52 86.78 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-O 120.753 0.311 . . . . 0.0 111.308 -179.219 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 99' ' ' LEU . . . . . . . . . . . . . 45.2 tp -77.97 -29.68 49.91 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-O 120.943 0.401 . . . . 0.0 110.338 178.669 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 100' ' ' ASP . . . . . . . . . . . . . 13.5 t70 -56.88 -45.21 82.69 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 115.861 -0.609 . . . . 0.0 110.765 178.282 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 17.8 m -70.59 -6.82 39.46 Favored 'General case' 0 C--N 1.325 -0.463 0 CA-C-N 115.93 -0.577 . . . . 0.0 111.475 -179.969 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 102' ' ' LEU . . . . . . . . . . . . . 94.1 mt -102.44 -26.12 13.38 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-O 121.017 0.437 . . . . 0.0 110.487 178.172 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 103' ' ' THR . . . . . . . . . . . . . 9.8 p -83.41 5.81 22.3 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 121.122 0.487 . . . . 0.0 111.073 178.218 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 104' ' ' VAL . . . . . . . . . . . . . 27.7 m -125.03 164.25 24.21 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.567 0 N-CA-C 109.33 -0.619 . . . . 0.0 109.33 175.292 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 105' ' ' LEU . . . . . . . . . . . . . 97.7 mt 69.83 -64.24 0.36 Allowed 'General case' 0 N--CA 1.468 0.429 0 C-N-CA 123.097 0.559 . . . . 0.0 111.548 -179.878 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 106' ' ' GLY . . . . . . . . . . . . . . . -90.02 -20.25 43.58 Favored Glycine 0 N--CA 1.449 -0.461 0 C-N-CA 121.06 -0.591 . . . . 0.0 112.469 -178.604 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 107' ' ' ALA . . . . . . . . . . . . . . . -100.81 162.63 12.78 Favored 'General case' 0 C--N 1.323 -0.56 0 CA-C-O 120.844 0.354 . . . . 0.0 110.94 178.821 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 108' ' ' GLY . . . . . . . . . . . . . . . 130.69 24.41 0.91 Allowed Glycine 0 N--CA 1.449 -0.439 0 C-N-CA 120.881 -0.676 . . . . 0.0 112.232 -178.911 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 109' ' ' GLY . . . . . . . . . . . . . . . -146.39 177.32 24.8 Favored Glycine 0 N--CA 1.448 -0.517 0 C-N-CA 120.635 -0.793 . . . . 0.0 112.131 -178.558 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 110' ' ' ASN . . . . . . . . . . . . . 15.8 m120 -76.38 57.83 1.23 Allowed 'General case' 0 C--N 1.33 -0.274 0 CA-C-O 121.093 0.473 . . . . 0.0 110.077 178.892 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 111' ' ' ASN . . . . . 0.466 ' HB2' HG22 ' A' ' 67' ' ' ILE . 4.9 p-10 -173.78 -32.98 0.01 OUTLIER 'General case' 0 C--N 1.322 -0.607 0 CA-C-N 115.407 -0.815 . . . . 0.0 109.604 -173.889 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 112' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.247 0.927 0 CA-C-N 115.169 -0.923 . . . . 0.0 109.482 180.0 . . . . . . . . 0 0 . 1 . 016 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 25.6 m . . . . . 0 N--CA 1.474 0.774 0 N-CA-C 110.169 -0.308 . . . . 0.0 110.169 . . . . . . . . . 0 0 . 1 . 016 nuclear build full ' A' A ' 7' ' ' MET . . . . . . . . . . . . . 14.5 tpt 55.98 65.44 1.45 Allowed 'General case' 0 C--O 1.234 0.243 0 CA-C-O 121.273 0.559 . . . . 0.0 110.295 -179.126 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -68.51 -11.27 59.63 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 115.783 -0.644 . . . . 0.0 111.757 -175.027 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 9' ' ' GLN . . . . . . . . . . . . . 14.1 mm100 -80.1 -12.69 59.65 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.53 -0.304 . . . . 0.0 110.945 176.84 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -116.83 -44.06 2.85 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-N 116.274 -0.421 . . . . 0.0 110.718 179.046 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -73.71 136.4 43.73 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 116.032 -0.531 . . . . 0.0 110.789 -179.923 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 11.1 pt20 -80.57 151.56 29.05 Favored 'General case' 0 C--N 1.325 -0.463 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.257 -179.241 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 11.2 pt20 -109.85 135.42 50.76 Favored 'General case' 0 C--N 1.321 -0.651 0 CA-C-N 116.437 -0.347 . . . . 0.0 110.211 177.638 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 14' ' ' LYS . . . . . 0.416 ' HB2' ' CE2' ' A' ' 16' ' ' PHE . 40.7 mmtm -135.29 144.47 46.79 Favored 'General case' 0 C--N 1.323 -0.581 0 CA-C-N 116.113 -0.494 . . . . 0.0 109.737 176.601 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 15' ' ' ASN . . . . . 0.524 ' HA ' ' HA ' ' A' ' 56' ' ' SER . 6.6 t30 -84.17 99.49 10.55 Favored 'General case' 0 C--N 1.323 -0.557 0 N-CA-C 109.665 -0.495 . . . . 0.0 109.665 178.766 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 16' ' ' PHE . . . . . 0.416 ' CE2' ' HB2' ' A' ' 14' ' ' LYS . 59.5 m-85 -99.3 143.49 29.5 Favored 'General case' 0 C--N 1.319 -0.718 0 CA-C-N 115.916 -0.583 . . . . 0.0 110.525 -177.44 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 5.1 p-10 -144.17 95.46 2.72 Favored 'General case' 0 C--N 1.318 -0.793 0 CA-C-O 121.684 0.754 . . . . 0.0 109.647 179.527 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 18' ' ' ILE . . . . . 0.456 HG12 HD12 ' A' ' 53' ' ' LEU . 21.0 mm -116.07 119.92 63.31 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.657 0 CA-C-N 115.576 -0.738 . . . . 0.0 109.953 -175.654 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -74.18 154.67 38.97 Favored 'General case' 0 C--N 1.323 -0.551 0 N-CA-C 109.292 -0.632 . . . . 0.0 109.292 173.65 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -66.88 103.15 1.07 Allowed 'General case' 0 C--N 1.328 -0.356 0 CA-C-O 121.33 0.586 . . . . 0.0 110.815 -176.278 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 21' ' ' GLN . . . . . 0.507 HE22 ' HG3' ' A' ' 29' ' ' ARG . 74.6 mt-30 -106.12 172.38 3.99 Favored Pre-proline 0 C--N 1.324 -0.538 0 CA-C-N 114.99 -1.004 . . . . 0.0 110.242 173.714 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 22' ' ' PRO . . . . . 0.402 ' HA ' ' O ' ' A' ' 48' ' ' MET . 52.5 Cg_exo -57.24 140.98 94.45 Favored 'Trans proline' 0 N--CA 1.462 -0.334 0 C-N-CA 121.788 1.659 . . . . 0.0 109.816 163.083 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 23' ' ' LEU . . . . . 0.422 ' CB ' ' HB3' ' A' ' 48' ' ' MET . 32.3 tp -51.71 -45.5 63.59 Favored 'General case' 0 N--CA 1.468 0.473 0 N-CA-C 113.459 0.911 . . . . 0.0 113.459 -167.138 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 78.5 mt-30 -68.82 -44.46 73.46 Favored 'General case' 0 C--N 1.326 -0.419 0 C-N-CA 120.867 -0.333 . . . . 0.0 111.044 -177.274 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 31.8 t -65.48 -35.77 81.89 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-O 121.132 0.491 . . . . 0.0 109.951 177.594 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -55.3 -57.6 11.17 Favored 'General case' 0 CA--C 1.516 -0.331 0 CA-C-N 115.356 -0.838 . . . . 0.0 111.345 178.829 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 27' ' ' MET . . . . . 0.474 ' HE3' ' HB3' ' A' ' 66' ' ' LEU . 16.7 mmt -76.94 -14.33 59.87 Favored 'General case' 0 C--N 1.321 -0.656 0 CA-C-N 115.469 -0.787 . . . . 0.0 111.014 -174.349 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 59.7 tp -65.69 -32.69 74.38 Favored 'General case' 0 C--N 1.322 -0.626 0 N-CA-C 109.106 -0.702 . . . . 0.0 109.106 170.889 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 29' ' ' ARG . . . . . 0.507 ' HG3' HE22 ' A' ' 21' ' ' GLN . 31.1 mmt180 -86.52 -41.83 14.03 Favored 'General case' 0 C--N 1.323 -0.571 0 CA-C-N 116.262 -0.427 . . . . 0.0 110.718 179.883 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 36.3 t80 -71.46 -56.46 5.9 Favored 'General case' 0 C--N 1.325 -0.479 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.576 179.735 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -71.36 -30.73 66.5 Favored 'General case' 0 C--N 1.323 -0.555 0 CA-C-N 116.13 -0.486 . . . . 0.0 112.281 -169.679 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 40.9 mm-40 -62.72 -26.92 68.92 Favored 'General case' 0 N--CA 1.464 0.261 0 C-N-CA 120.393 -0.523 . . . . 0.0 110.897 177.609 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 33' ' ' GLN . . . . . 0.418 ' HA ' ' OE1' ' A' ' 33' ' ' GLN . 16.3 mm-40 -85.59 -16.44 39.32 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-O 120.997 0.427 . . . . 0.0 110.497 177.369 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -95.71 -16.87 21.69 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-N 116.079 -0.51 . . . . 0.0 111.198 178.944 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 99.03 20.7 17.61 Favored Glycine 0 CA--C 1.52 0.384 0 C-N-CA 121.081 -0.58 . . . . 0.0 112.867 178.996 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 36' ' ' MET . . . . . 0.458 ' HG2' ' HA2' ' A' ' 80' ' ' GLY . 68.0 mtm -138.97 176.57 8.58 Favored 'General case' 0 C--N 1.325 -0.465 0 N-CA-C 110.308 -0.256 . . . . 0.0 110.308 -177.276 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 37' ' ' GLN . . . . . . . . . . . . . 32.7 tt0 -154.68 145.75 22.72 Favored 'General case' 0 C--N 1.328 -0.353 0 N-CA-C 109.976 -0.379 . . . . 0.0 109.976 173.594 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 38' ' ' VAL . . . . . 0.405 ' CG2' ' HB2' ' A' ' 27' ' ' MET . 5.9 m -79.75 138.93 19.05 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-O 121.006 0.432 . . . . 0.0 111.592 -179.231 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 39' ' ' PHE . . . . . . . . . . . . . 91.5 t80 -121.37 136.19 54.99 Favored 'General case' 0 C--N 1.324 -0.521 0 CA-C-N 115.814 -0.63 . . . . 0.0 110.787 -179.72 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 40' ' ' PHE . . . . . . . . . . . . . 70.3 m-85 -131.08 154.55 48.15 Favored 'General case' 0 C--N 1.321 -0.635 0 CA-C-N 115.57 -0.741 . . . . 0.0 109.07 176.347 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 17.1 m-20 -78.92 -174.37 3.98 Favored 'General case' 0 C--N 1.325 -0.464 0 CA-C-N 116.659 -0.246 . . . . 0.0 110.542 177.807 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 39.5 mt-10 -76.3 89.42 3.15 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-O 121.05 0.452 . . . . 0.0 110.216 179.184 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 43' ' ' VAL . . . . . . . . . . . . . 7.2 p -159.14 134.84 1.75 Allowed 'Isoleucine or valine' 0 C--N 1.32 -0.701 0 CA-C-N 115.712 -0.676 . . . . 0.0 109.898 178.72 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 40.7 ttmt -98.84 123.17 42.92 Favored 'General case' 0 C--N 1.319 -0.752 0 CA-C-N 116.286 -0.416 . . . . 0.0 110.082 178.079 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 1.3 pt? -133.81 112.92 11.73 Favored 'General case' 0 C--N 1.32 -0.694 0 CA-C-N 116.024 -0.535 . . . . 0.0 110.106 178.609 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 6.2 p-10 -83.55 151.31 25.44 Favored 'General case' 0 C--N 1.323 -0.552 0 CA-C-N 115.942 -0.572 . . . . 0.0 110.228 178.853 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 102.75 6.64 46.21 Favored Glycine 0 N--CA 1.448 -0.529 0 C-N-CA 120.674 -0.774 . . . . 0.0 112.266 -179.588 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 48' ' ' MET . . . . . 0.422 ' HB3' ' CB ' ' A' ' 23' ' ' LEU . 71.1 mtm -67.3 119.44 12.17 Favored 'General case' 0 C--N 1.329 -0.319 0 N-CA-C 109.91 -0.404 . . . . 0.0 109.91 178.029 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 7.5 pt20 -146.63 136.11 22.93 Favored 'General case' 0 C--N 1.323 -0.554 0 CA-C-O 121.109 0.481 . . . . 0.0 111.227 -175.381 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -91.18 145.49 24.63 Favored 'General case' 0 C--N 1.321 -0.636 0 CA-C-N 115.756 -0.657 . . . . 0.0 109.895 176.555 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -84.3 162.78 19.97 Favored 'General case' 0 C--N 1.321 -0.672 0 CA-C-N 116.449 -0.342 . . . . 0.0 110.908 179.908 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -64.8 97.1 0.2 Allowed 'General case' 0 C--O 1.235 0.307 0 CA-C-N 115.785 -0.643 . . . . 0.0 111.339 -179.179 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 53' ' ' LEU . . . . . 0.456 HD12 HG12 ' A' ' 18' ' ' ILE . 3.4 tm? -103.77 120.18 40.44 Favored 'General case' 0 C--N 1.322 -0.614 0 CA-C-N 115.709 -0.678 . . . . 0.0 109.657 -179.414 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 54' ' ' ASN . . . . . . . . . . . . . 7.3 t30 -159.51 98.85 1.42 Allowed 'General case' 0 C--N 1.326 -0.446 0 CA-C-N 116.357 -0.383 . . . . 0.0 110.136 177.821 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . 178.46 166.66 35.05 Favored Glycine 0 N--CA 1.448 -0.561 0 C-N-CA 120.703 -0.761 . . . . 0.0 112.155 -179.964 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 56' ' ' SER . . . . . 0.524 ' HA ' ' HA ' ' A' ' 15' ' ' ASN . 22.8 t -94.81 107.04 19.05 Favored 'General case' 0 C--N 1.324 -0.513 0 N-CA-C 109.713 -0.477 . . . . 0.0 109.713 176.957 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 57' ' ' MET . . . . . . . . . . . . . 21.3 ptp -157.63 176.75 12.22 Favored 'General case' 0 C--N 1.326 -0.452 0 CA-C-N 115.919 -0.582 . . . . 0.0 110.637 -175.676 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 9.5 m -84.55 176.24 8.75 Favored 'General case' 0 C--N 1.324 -0.523 0 CA-C-N 116.411 -0.359 . . . . 0.0 110.907 -179.792 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 59' ' ' VAL . . . . . . . . . . . . . 47.7 t -58.72 -38.67 73.29 Favored 'Isoleucine or valine' 0 CA--C 1.516 -0.357 0 N-CA-C 110.156 -0.312 . . . . 0.0 110.156 178.607 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 60' ' ' GLU . . . . . 0.61 ' O ' ' HG3' ' A' ' 64' ' ' ARG . 43.2 mt-10 -52.35 -70.64 0.08 Allowed 'General case' 0 C--O 1.223 -0.3 0 O-C-N 123.489 0.493 . . . . 0.0 111.069 -179.959 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 61' ' ' GLN . . . . . . . . . . . . . 84.4 mm-40 -59.66 -40.88 89.2 Favored 'General case' 0 C--N 1.327 -0.398 0 N-CA-C 111.84 0.311 . . . . 0.0 111.84 -175.325 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . -60.86 -50.57 66.11 Favored Glycine 0 N--CA 1.45 -0.4 0 C-N-CA 120.652 -0.785 . . . . 0.0 112.183 -179.847 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 63' ' ' LEU . . . . . 0.576 HD11 HD12 ' A' ' 67' ' ' ILE . 1.8 tm? -67.35 -39.37 85.73 Favored 'General case' 0 C--N 1.324 -0.524 0 CA-C-O 120.931 0.396 . . . . 0.0 110.172 -178.349 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 64' ' ' ARG . . . . . 0.656 ' HD3' ' OXT' ' A' ' 112' ' ' ALA . 67.7 mtt180 -60.05 -43.7 95.21 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.004 -0.544 . . . . 0.0 111.194 -178.667 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 65' ' ' ARG . . . . . . . . . . . . . 22.5 mtp180 -75.32 -28.26 59.58 Favored 'General case' 0 C--N 1.324 -0.536 0 CA-C-O 121.185 0.517 . . . . 0.0 110.616 178.076 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 66' ' ' LEU . . . . . 0.474 ' HB3' ' HE3' ' A' ' 27' ' ' MET . 3.5 mt -70.84 -50.86 30.81 Favored 'General case' 0 C--N 1.321 -0.659 0 CA-C-N 115.373 -0.831 . . . . 0.0 112.917 -175.066 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 67' ' ' ILE . . . . . 0.576 HD12 HD11 ' A' ' 63' ' ' LEU . 13.8 mt -83.2 -61.53 1.73 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 N-CA-C 113.523 0.934 . . . . 0.0 113.523 -169.5 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 68' ' ' GLY . . . . . 0.473 ' C ' ' H ' ' A' ' 70' ' ' ASN . . . -111.65 -61.53 0.47 Allowed Glycine 0 N--CA 1.447 -0.574 0 C-N-CA 119.067 -1.54 . . . . 0.0 114.904 -166.752 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 69' ' ' GLY . . . . . 0.533 ' HA2' ' H ' ' A' ' 110' ' ' ASN . . . 79.66 -22.36 4.08 Favored Glycine 0 CA--C 1.52 0.385 0 N-CA-C 110.572 -1.011 . . . . 0.0 110.572 -167.182 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 70' ' ' ASN . . . . . 0.473 ' H ' ' C ' ' A' ' 68' ' ' GLY . 17.3 m120 -103.63 151.23 38.71 Favored Pre-proline 0 C--N 1.325 -0.489 0 N-CA-C 108.712 -0.847 . . . . 0.0 108.712 168.736 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 71' ' ' PRO . . . . . 0.405 ' HB2' ' HA ' ' A' ' 88' ' ' PRO . 18.0 Cg_endo -59.08 103.24 0.17 Allowed 'Trans proline' 0 CA--C 1.535 0.539 0 C-N-CA 123.178 2.586 . . . . 0.0 113.813 -176.211 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 72' ' ' VAL . . . . . . . . . . . . . 12.6 p -150.26 138.88 14.87 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.399 0 CA-C-N 115.211 -0.904 . . . . 0.0 108.936 175.557 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -90.68 143.12 27.06 Favored 'General case' 0 C--N 1.32 -0.693 0 CA-C-O 121.017 0.436 . . . . 0.0 111.874 -167.524 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 74' ' ' PHE . . . . . 0.404 ' CG ' HD12 ' A' ' 63' ' ' LEU . 4.9 p90 -123.85 125.61 44.97 Favored 'General case' 0 C--N 1.322 -0.62 0 CA-C-N 116.103 -0.499 . . . . 0.0 110.173 176.497 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 75' ' ' ARG . . . . . . . . . . . . . 17.2 tpp180 -99.12 113.89 26.34 Favored 'General case' 0 C--N 1.321 -0.647 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.584 -177.868 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 76' ' ' LEU . . . . . . . . . . . . . 72.2 mt -90.79 99.36 12.41 Favored 'General case' 0 C--N 1.325 -0.495 0 CA-C-N 115.966 -0.561 . . . . 0.0 109.5 177.704 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 77' ' ' GLN . . . . . 0.425 ' HA ' ' HD3' ' A' ' 78' ' ' PRO . 43.7 mt-30 -86.36 130.73 48.46 Favored Pre-proline 0 C--N 1.321 -0.641 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.877 -176.668 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 78' ' ' PRO . . . . . 0.425 ' HD3' ' HA ' ' A' ' 77' ' ' GLN . 51.5 Cg_exo -56.25 -15.58 15.02 Favored 'Trans proline' 0 N--CA 1.477 0.525 0 C-N-CA 123.792 2.995 . . . . 0.0 113.969 -178.892 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 79' ' ' GLN . . . . . . . . . . . . . 77.0 mt-30 -81.01 -0.98 42.03 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 120.802 0.334 . . . . 0.0 111.021 176.853 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 80' ' ' GLY . . . . . 0.458 ' HA2' ' HG2' ' A' ' 36' ' ' MET . . . 95.46 36.12 5.48 Favored Glycine 0 N--CA 1.447 -0.628 0 C-N-CA 120.739 -0.743 . . . . 0.0 112.765 176.964 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 81' ' ' GLN . . . . . . . . . . . . . 84.8 mm-40 -127.38 137.29 52.73 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-N 116.9 0.35 . . . . 0.0 111.203 -177.598 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 82' ' ' ILE . . . . . 0.424 HG13 ' HB3' ' A' ' 36' ' ' MET . 56.9 mt -114.39 102.84 14.43 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 N-CA-C 109.282 -0.636 . . . . 0.0 109.282 174.852 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 83' ' ' VAL . . . . . . . . . . . . . 57.4 t -106.72 128.19 61.62 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.685 0 CA-C-N 116.294 -0.412 . . . . 0.0 110.265 -179.138 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 84' ' ' LEU . . . . . . . . . . . . . 17.2 tp -83.99 141.2 31.38 Favored 'General case' 0 C--N 1.325 -0.492 0 N-CA-C 109.734 -0.469 . . . . 0.0 109.734 179.645 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 85' ' ' SER . . . . . . . . . . . . . 24.0 m -136.12 143.3 44.47 Favored 'General case' 0 C--N 1.321 -0.672 0 N-CA-C 109.812 -0.44 . . . . 0.0 109.812 179.955 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 86' ' ' ARG . . . . . . . . . . . . . 33.7 mmt180 -85.4 64.65 8.77 Favored 'General case' 0 C--N 1.322 -0.629 0 CA-C-O 121.029 0.443 . . . . 0.0 111.782 -172.649 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 87' ' ' LEU . . . . . . . . . . . . . 2.8 mm? -118.09 121.08 31.77 Favored Pre-proline 0 C--N 1.327 -0.408 0 CA-C-N 115.863 -0.608 . . . . 0.0 109.639 174.659 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 88' ' ' PRO . . . . . 0.405 ' HA ' ' HB2' ' A' ' 71' ' ' PRO . 9.5 Cg_exo -71.24 106.45 1.92 Allowed 'Trans proline' 0 N--CA 1.462 -0.374 0 C-N-CA 122.523 2.149 . . . . 0.0 111.847 177.847 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 89' ' ' THR . . . . . . . . . . . . . 22.3 m -107.35 122.48 46.66 Favored 'General case' 0 C--N 1.324 -0.5 0 CA-C-N 116.579 -0.282 . . . . 0.0 110.853 -179.571 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 90' ' ' ALA . . . . . . . . . . . . . . . -102.67 108.93 20.37 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.277 -0.42 . . . . 0.0 110.907 173.74 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 91' ' ' ASN . . . . . . . . . . . . . 6.8 p30 -83.17 -13.92 54.51 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.865 0.364 . . . . 0.0 110.967 178.441 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 92' ' ' GLY . . . . . . . . . . . . . . . -68.64 -7.68 54.72 Favored Glycine 0 C--N 1.328 0.12 0 CA-C-N 116.196 -0.456 . . . . 0.0 113.321 -174.958 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 2.5 m-20 -89.38 -1.89 58.22 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-O 120.856 0.36 . . . . 0.0 110.994 177.933 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 94' ' ' GLY . . . . . . . . . . . . . . . 67.91 26.26 73.99 Favored Glycine 0 N--CA 1.452 -0.255 0 CA-C-N 115.827 -0.624 . . . . 0.0 113.132 175.122 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 95' ' ' GLY . . . . . . . . . . . . . . . 104.94 65.55 0.67 Allowed Glycine 0 N--CA 1.444 -0.79 0 C-N-CA 120.696 -0.764 . . . . 0.0 111.847 -178.652 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 96' ' ' ALA . . . . . 0.441 ' HB1' ' HB3' ' A' ' 100' ' ' ASP . . . -82.29 105.99 13.82 Favored 'General case' 0 C--N 1.323 -0.569 0 CA-C-O 120.929 0.395 . . . . 0.0 110.434 178.918 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 97' ' ' LEU . . . . . . . . . . . . . 1.3 pp -83.81 -173.42 4.71 Favored 'General case' 0 C--N 1.322 -0.595 0 CA-C-N 116.025 -0.534 . . . . 0.0 111.484 -176.625 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 98' ' ' ALA . . . . . . . . . . . . . . . 64.41 33.23 11.39 Favored 'General case' 0 C--O 1.233 0.225 0 O-C-N 123.657 0.598 . . . . 0.0 110.234 -175.458 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 99' ' ' LEU . . . . . 0.415 ' HG ' ' O ' ' A' ' 99' ' ' LEU . 25.3 tp 64.59 21.31 12.4 Favored 'General case' 0 CA--C 1.533 0.304 0 CA-C-N 115.157 -0.929 . . . . 0.0 110.791 178.868 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 100' ' ' ASP . . . . . 0.451 ' O ' HG23 ' A' ' 104' ' ' VAL . 24.6 t70 -77.57 -47.47 19.36 Favored 'General case' 0 C--N 1.327 -0.409 0 C-N-CA 120.942 -0.303 . . . . 0.0 111.221 -173.168 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 101' ' ' SER . . . . . 0.404 ' HB3' ' HB3' ' A' ' 96' ' ' ALA . 6.6 p -62.17 -26.44 68.33 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.436 -0.347 . . . . 0.0 111.717 -177.568 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 102' ' ' LEU . . . . . . . . . . . . . 15.1 tp -89.1 7.2 36.28 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 121.244 0.545 . . . . 0.0 110.767 -178.988 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 103' ' ' THR . . . . . . . . . . . . . 22.2 m -119.29 -9.18 9.97 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-O 121.257 0.551 . . . . 0.0 110.715 178.93 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 104' ' ' VAL . . . . . 0.451 HG23 ' O ' ' A' ' 100' ' ' ASP . 51.9 t -102.47 135.14 41.02 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 CA-C-N 116.359 -0.382 . . . . 0.0 110.697 -177.206 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 105' ' ' LEU . . . . . . . . . . . . . 7.1 mp -87.52 82.71 7.4 Favored 'General case' 0 C--N 1.325 -0.459 0 CA-C-N 116.266 -0.424 . . . . 0.0 110.489 -179.08 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 106' ' ' GLY . . . . . . . . . . . . . . . -80.89 97.55 1.76 Allowed Glycine 0 N--CA 1.45 -0.407 0 C-N-CA 120.843 -0.694 . . . . 0.0 111.918 178.852 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 107' ' ' ALA . . . . . . . . . . . . . . . -100.29 166.32 11.03 Favored 'General case' 0 C--N 1.325 -0.486 0 CA-C-O 121.121 0.486 . . . . 0.0 111.431 -177.074 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 108' ' ' GLY . . . . . . . . . . . . . . . 139.69 -124.87 2.83 Favored Glycine 0 N--CA 1.446 -0.633 0 N-CA-C 110.149 -1.18 . . . . 0.0 110.149 -178.07 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 109' ' ' GLY . . . . . 0.431 ' O ' ' HB3' ' A' ' 110' ' ' ASN . . . -108.49 93.08 0.77 Allowed Glycine 0 N--CA 1.443 -0.866 0 C-N-CA 119.441 -1.361 . . . . 0.0 110.219 168.976 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 110' ' ' ASN . . . . . 0.533 ' H ' ' HA2' ' A' ' 69' ' ' GLY . 4.8 p-10 161.23 137.44 0.01 OUTLIER 'General case' 0 N--CA 1.466 0.371 0 C-N-CA 123.758 0.823 . . . . 0.0 109.056 -173.656 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 111' ' ' ASN . . . . . 0.585 ' OD1' ' HA ' ' A' ' 64' ' ' ARG . 25.7 p-10 -88.96 -13.47 38.88 Favored 'General case' 0 C--N 1.321 -0.67 0 N-CA-C 108.242 -1.022 . . . . 0.0 108.242 171.653 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 112' ' ' ALA . . . . . 0.656 ' OXT' ' HD3' ' A' ' 64' ' ' ARG . . . . . . . . 0 C--O 1.245 0.823 0 CA-C-N 115.128 -0.942 . . . . 0.0 109.055 177.833 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 37.1 m . . . . . 0 N--CA 1.481 1.087 0 CA-C-O 120.915 0.388 . . . . 0.0 111.345 . . . . . . . . . 0 0 . 1 . 017 nuclear build full ' A' A ' 7' ' ' MET . . . . . . . . . . . . . 50.8 mtt -134.47 119.92 19.11 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-O 120.741 0.305 . . . . 0.0 111.058 178.831 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -79.22 -8.71 59.23 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-O 121.209 0.528 . . . . 0.0 110.702 178.81 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 9' ' ' GLN . . . . . . . . . . . . . 91.0 mt-30 -82.13 -33.86 29.45 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-N 115.839 -0.619 . . . . 0.0 110.01 174.256 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -87.39 -50.15 6.75 Favored 'General case' 0 C--N 1.325 -0.49 0 CA-C-N 115.662 -0.699 . . . . 0.0 110.673 -179.631 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -80.4 150.57 29.76 Favored 'General case' 0 C--N 1.324 -0.531 0 CA-C-N 116.177 -0.465 . . . . 0.0 109.987 178.612 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 35.0 tt0 -75.09 109.49 8.61 Favored 'General case' 0 C--N 1.322 -0.605 0 N-CA-C 109.747 -0.464 . . . . 0.0 109.747 179.852 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 5.1 pm0 -64.76 135.77 56.19 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-O 121.106 0.479 . . . . 0.0 110.24 -179.312 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 14' ' ' LYS . . . . . 0.554 ' O ' ' HA ' ' A' ' 56' ' ' SER . 73.9 mmtt -108.36 142.81 38.13 Favored 'General case' 0 C--N 1.319 -0.725 0 CA-C-N 115.769 -0.65 . . . . 0.0 109.884 -175.008 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 15' ' ' ASN . . . . . . . . . . . . . 18.4 m120 -80.65 104.13 10.97 Favored 'General case' 0 C--N 1.322 -0.618 0 CA-C-O 120.963 0.411 . . . . 0.0 110.41 178.975 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 16' ' ' PHE . . . . . 0.415 ' O ' ' HA ' ' A' ' 54' ' ' ASN . 86.1 m-85 -99.3 109.83 22.42 Favored 'General case' 0 C--N 1.319 -0.745 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.38 -179.389 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 82.4 m-20 -118.32 88.62 2.96 Favored 'General case' 0 C--N 1.322 -0.608 0 N-CA-C 109.217 -0.66 . . . . 0.0 109.217 176.006 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 18' ' ' ILE . . . . . . . . . . . . . 14.4 mt -127.0 119.26 52.58 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.578 0 CA-C-O 120.747 0.308 . . . . 0.0 110.782 -175.471 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -77.91 160.28 28.34 Favored 'General case' 0 C--N 1.325 -0.499 0 N-CA-C 109.109 -0.7 . . . . 0.0 109.109 173.799 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -70.21 102.74 2.17 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 121.39 0.614 . . . . 0.0 111.34 -174.186 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 21' ' ' GLN . . . . . . . . . . . . . 78.7 mt-30 -106.09 169.81 6.52 Favored Pre-proline 0 C--N 1.322 -0.619 0 CA-C-N 115.145 -0.934 . . . . 0.0 110.211 175.198 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 22' ' ' PRO . . . . . 0.443 ' HA ' ' O ' ' A' ' 48' ' ' MET . 52.8 Cg_exo -53.47 133.31 52.81 Favored 'Trans proline' 0 C--N 1.348 0.503 0 C-N-CA 121.952 1.768 . . . . 0.0 109.991 166.738 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 56.5 tp -51.3 -45.94 62.35 Favored 'General case' 0 N--CA 1.467 0.413 0 N-CA-C 112.981 0.734 . . . . 0.0 112.981 -167.238 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 11.1 mm100 -64.86 -32.9 74.82 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-O 120.856 0.36 . . . . 0.0 110.995 -176.709 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 18.7 m -86.9 -25.77 24.27 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.712 179.817 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -62.38 -45.72 91.9 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-O 121.405 0.621 . . . . 0.0 110.173 175.762 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 27' ' ' MET . . . . . 0.535 ' HG3' ' CG1' ' A' ' 38' ' ' VAL . 25.6 mmt -74.14 -19.12 60.67 Favored 'General case' 0 C--N 1.322 -0.594 0 CA-C-N 115.458 -0.792 . . . . 0.0 110.464 178.102 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 28' ' ' LEU . . . . . 0.578 ' O ' ' HB3' ' A' ' 32' ' ' GLU . 5.7 tt -65.63 -26.34 67.78 Favored 'General case' 0 C--N 1.321 -0.672 0 N-CA-C 108.718 -0.845 . . . . 0.0 108.718 174.1 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 29' ' ' ARG . . . . . 0.6 ' HA ' ' NH1' ' A' ' 29' ' ' ARG . 9.6 mmm180 -73.53 -55.37 6.41 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.36 -0.382 . . . . 0.0 111.09 179.722 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 7.9 t80 -79.94 -55.86 4.67 Favored 'General case' 0 C--N 1.325 -0.485 0 CA-C-O 121.243 0.544 . . . . 0.0 111.558 -178.231 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -69.21 -16.98 63.73 Favored 'General case' 0 C--N 1.319 -0.739 0 CA-C-N 116.007 -0.542 . . . . 0.0 112.334 -169.963 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 32' ' ' GLU . . . . . 0.578 ' HB3' ' O ' ' A' ' 28' ' ' LEU . 8.5 pt-20 -60.75 -33.13 72.47 Favored 'General case' 0 N--CA 1.471 0.588 0 C-N-CA 120.016 -0.673 . . . . 0.0 110.302 175.842 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 33' ' ' GLN . . . . . . . . . . . . . 85.7 mm-40 -77.84 -27.64 49.95 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-O 121.233 0.539 . . . . 0.0 109.929 -179.778 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -88.72 -7.19 56.74 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-N 115.612 -0.722 . . . . 0.0 111.337 179.346 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 77.39 29.77 55.31 Favored Glycine 0 C--N 1.33 0.23 0 C-N-CA 121.135 -0.555 . . . . 0.0 112.207 -179.663 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 36' ' ' MET . . . . . 0.414 ' HG2' ' HA2' ' A' ' 80' ' ' GLY . 64.8 mtp -134.61 173.31 11.81 Favored 'General case' 0 C--N 1.323 -0.577 0 CA-C-O 120.649 0.262 . . . . 0.0 110.903 -174.361 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 37' ' ' GLN . . . . . 0.475 ' O ' ' HA ' ' A' ' 81' ' ' GLN . 55.6 tt0 -161.8 160.27 28.05 Favored 'General case' 0 C--N 1.327 -0.401 0 N-CA-C 108.635 -0.876 . . . . 0.0 108.635 171.165 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 38' ' ' VAL . . . . . 0.535 ' CG1' ' HG3' ' A' ' 27' ' ' MET . 0.7 OUTLIER -76.63 134.64 28.42 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.398 0 CA-C-O 121.031 0.443 . . . . 0.0 110.532 -179.851 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 39' ' ' PHE . . . . . . . . . . . . . 77.7 t80 -115.74 119.54 36.39 Favored 'General case' 0 C--N 1.321 -0.65 0 CA-C-N 115.739 -0.664 . . . . 0.0 110.939 -175.88 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 40' ' ' PHE . . . . . . . . . . . . . 80.4 m-85 -129.13 170.37 13.61 Favored 'General case' 0 C--N 1.316 -0.853 0 N-CA-C 108.543 -0.91 . . . . 0.0 108.543 174.508 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 26.3 t70 -76.18 143.66 40.99 Favored 'General case' 0 C--N 1.321 -0.645 0 N-CA-C 109.341 -0.614 . . . . 0.0 109.341 177.923 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 46.5 mt-10 -62.53 95.79 0.07 Allowed 'General case' 0 C--N 1.328 -0.341 0 CA-C-O 121.295 0.569 . . . . 0.0 111.375 -177.201 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 43' ' ' VAL . . . . . . . . . . . . . 9.1 p -130.01 140.76 48.14 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.742 0 CA-C-N 115.194 -0.912 . . . . 0.0 109.589 177.633 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 24.0 ttmm -87.39 88.15 7.6 Favored 'General case' 0 C--N 1.322 -0.623 0 N-CA-C 109.213 -0.662 . . . . 0.0 109.213 177.243 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 69.1 tp -123.41 116.07 22.66 Favored 'General case' 0 C--N 1.319 -0.757 0 CA-C-N 115.384 -0.825 . . . . 0.0 110.033 -177.984 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 16.0 t70 -85.12 144.26 28.32 Favored 'General case' 0 C--N 1.319 -0.748 0 N-CA-C 109.331 -0.618 . . . . 0.0 109.331 177.264 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 114.19 8.1 17.82 Favored Glycine 0 N--CA 1.444 -0.769 0 C-N-CA 120.462 -0.875 . . . . 0.0 112.03 -179.25 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 48' ' ' MET . . . . . 0.443 ' O ' ' HA ' ' A' ' 22' ' ' PRO . 66.7 mtt -70.64 117.74 12.55 Favored 'General case' 0 N--CA 1.451 -0.384 0 N-CA-C 108.804 -0.813 . . . . 0.0 108.804 175.559 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 27.0 pt20 -153.19 140.01 19.06 Favored 'General case' 0 C--N 1.318 -0.774 0 CA-C-O 121.037 0.446 . . . . 0.0 110.993 -174.625 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -91.72 165.22 13.41 Favored 'General case' 0 C--N 1.317 -0.83 0 CA-C-N 115.385 -0.825 . . . . 0.0 109.451 174.77 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -93.49 154.42 17.91 Favored 'General case' 0 C--N 1.318 -0.778 0 CA-C-N 116.383 -0.372 . . . . 0.0 110.072 179.272 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -64.67 97.13 0.2 Allowed 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.55 179.097 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 57.4 tp -97.41 119.02 35.19 Favored 'General case' 0 C--N 1.322 -0.629 0 CA-C-N 115.6 -0.727 . . . . 0.0 110.701 -176.562 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 54' ' ' ASN . . . . . 0.415 ' HA ' ' O ' ' A' ' 16' ' ' PHE . 25.3 t-20 -146.89 98.25 3.02 Favored 'General case' 0 C--N 1.322 -0.621 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.106 177.564 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . 178.18 160.13 24.01 Favored Glycine 0 N--CA 1.448 -0.53 0 C-N-CA 120.714 -0.755 . . . . 0.0 112.255 179.416 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 56' ' ' SER . . . . . 0.554 ' HA ' ' O ' ' A' ' 14' ' ' LYS . 22.6 p -98.47 108.24 20.89 Favored 'General case' 0 C--N 1.323 -0.549 0 N-CA-C 109.934 -0.395 . . . . 0.0 109.934 174.946 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 57' ' ' MET . . . . . . . . . . . . . 20.9 ptp -148.55 -175.71 5.03 Favored 'General case' 0 C--N 1.323 -0.549 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.218 -175.405 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 12.9 m -88.67 177.35 6.78 Favored 'General case' 0 C--N 1.324 -0.538 0 N-CA-C 110.429 -0.212 . . . . 0.0 110.429 179.744 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 59' ' ' VAL . . . . . . . . . . . . . 40.6 t -62.16 -43.26 97.62 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 CA-C-O 120.711 0.291 . . . . 0.0 111.126 -176.755 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 60' ' ' GLU . . . . . 0.587 ' HA ' ' CZ ' ' A' ' 74' ' ' PHE . 26.2 mt-10 -56.88 -60.52 3.45 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 116.074 -0.512 . . . . 0.0 112.008 -179.049 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 61' ' ' GLN . . . . . 0.435 ' HA ' ' OE1' ' A' ' 61' ' ' GLN . 16.6 mm-40 -63.66 -32.52 74.02 Favored 'General case' 0 C--N 1.324 -0.523 0 CA-C-N 116.364 -0.38 . . . . 0.0 110.353 179.222 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 62' ' ' GLY . . . . . 0.557 ' O ' ' HB2' ' A' ' 66' ' ' LEU . . . -59.77 -58.41 14.36 Favored Glycine 0 N--CA 1.445 -0.704 0 CA-C-N 115.83 -0.623 . . . . 0.0 111.882 177.058 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 63' ' ' LEU . . . . . 0.491 ' O ' HG13 ' A' ' 67' ' ' ILE . 4.2 mm? -58.21 -43.96 87.9 Favored 'General case' 0 C--N 1.331 -0.204 0 CA-C-N 116.681 0.24 . . . . 0.0 111.049 179.659 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 64' ' ' ARG . . . . . . . . . . . . . 51.3 mtp180 -52.29 -54.42 31.72 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.354 -0.384 . . . . 0.0 110.968 178.048 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 65' ' ' ARG . . . . . 0.535 ' HA ' ' HA2' ' A' ' 69' ' ' GLY . 97.0 mtt180 -80.03 -17.81 51.8 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.403 -0.362 . . . . 0.0 111.724 -175.966 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 66' ' ' LEU . . . . . 0.557 ' HB2' ' O ' ' A' ' 62' ' ' GLY . 3.1 tt -73.99 -47.43 37.32 Favored 'General case' 0 C--N 1.323 -0.575 0 CA-C-O 121.124 0.488 . . . . 0.0 109.817 178.903 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 67' ' ' ILE . . . . . 0.491 HG13 ' O ' ' A' ' 63' ' ' LEU . 11.1 mt -83.81 -62.36 1.49 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 CA-C-N 116.08 -0.509 . . . . 0.0 111.317 -174.528 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . -113.8 -44.21 0.77 Allowed Glycine 0 CA--C 1.519 0.341 0 C-N-CA 120.621 -0.799 . . . . 0.0 114.13 -174.28 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 69' ' ' GLY . . . . . 0.535 ' HA2' ' HA ' ' A' ' 65' ' ' ARG . . . 103.79 -12.75 53.42 Favored Glycine 0 CA--C 1.513 -0.082 0 N-CA-C 110.452 -1.059 . . . . 0.0 110.452 -168.642 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 70' ' ' ASN . . . . . . . . . . . . . 21.0 p-10 -100.34 167.08 11.49 Favored Pre-proline 0 C--N 1.32 -0.708 0 CA-C-N 114.386 -0.907 . . . . 0.0 110.614 -177.404 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 71' ' ' PRO . . . . . . . . . . . . . 16.3 Cg_exo -69.01 124.89 11.86 Favored 'Trans proline' 0 C--N 1.346 0.408 0 C-N-CA 122.589 2.192 . . . . 0.0 110.802 170.814 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 72' ' ' VAL . . . . . 0.426 HG11 ' ND2' ' A' ' 111' ' ' ASN . 8.8 p -148.3 158.8 7.47 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.602 0 N-CA-C 109.623 -0.51 . . . . 0.0 109.623 -174.816 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 73' ' ' ALA . . . . . 0.526 ' HB3' ' O ' ' A' ' 85' ' ' SER . . . -104.99 119.0 37.94 Favored 'General case' 0 N--CA 1.442 -0.839 0 CA-C-N 116.405 -0.361 . . . . 0.0 110.957 -178.671 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 74' ' ' PHE . . . . . 0.587 ' CZ ' ' HA ' ' A' ' 60' ' ' GLU . 6.1 p90 -125.48 133.69 52.32 Favored 'General case' 0 C--N 1.32 -0.691 0 CA-C-O 120.966 0.412 . . . . 0.0 110.017 -179.343 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 75' ' ' ARG . . . . . . . . . . . . . 24.2 mmt180 -103.24 119.67 39.3 Favored 'General case' 0 C--N 1.317 -0.811 0 CA-C-N 116.075 -0.511 . . . . 0.0 110.434 177.005 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 76' ' ' LEU . . . . . . . . . . . . . 71.5 mt -86.77 98.5 11.2 Favored 'General case' 0 C--N 1.321 -0.657 0 N-CA-C 108.911 -0.774 . . . . 0.0 108.911 176.337 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 77' ' ' GLN . . . . . . . . . . . . . 68.1 mt-30 -87.65 130.16 48.13 Favored Pre-proline 0 C--N 1.32 -0.704 0 CA-C-N 115.948 -0.569 . . . . 0.0 110.903 -175.359 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 78' ' ' PRO . . . . . . . . . . . . . 50.5 Cg_exo -57.31 -17.21 25.46 Favored 'Trans proline' 0 C--N 1.347 0.494 0 C-N-CA 123.365 2.71 . . . . 0.0 112.523 176.161 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 79' ' ' GLN . . . . . . . . . . . . . 43.7 mt-30 -73.17 -3.32 25.85 Favored 'General case' 0 C--O 1.233 0.188 0 CA-C-N 116.097 -0.502 . . . . 0.0 111.178 175.404 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 80' ' ' GLY . . . . . 0.414 ' HA2' ' HG2' ' A' ' 36' ' ' MET . . . 90.02 34.89 7.94 Favored Glycine 0 N--CA 1.445 -0.732 0 C-N-CA 120.968 -0.634 . . . . 0.0 112.376 179.224 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 81' ' ' GLN . . . . . 0.475 ' HA ' ' O ' ' A' ' 37' ' ' GLN . 66.4 mt-30 -129.16 133.5 47.63 Favored 'General case' 0 C--N 1.325 -0.463 0 CA-C-O 120.859 0.361 . . . . 0.0 111.529 -177.316 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 82' ' ' ILE . . . . . 0.432 ' HB ' HG12 ' A' ' 38' ' ' VAL . 56.0 mt -107.31 104.25 16.77 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.587 0 N-CA-C 108.563 -0.903 . . . . 0.0 108.563 170.621 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 83' ' ' VAL . . . . . . . . . . . . . 59.7 t -118.61 130.69 73.1 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.556 0 CA-C-O 120.752 0.311 . . . . 0.0 110.825 -176.671 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 84' ' ' LEU . . . . . 0.423 ' CD1' ' HB3' ' A' ' 74' ' ' PHE . 2.6 mm? -85.52 166.71 16.06 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-O 121.646 0.736 . . . . 0.0 111.575 179.716 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 85' ' ' SER . . . . . 0.526 ' O ' ' HB3' ' A' ' 73' ' ' ALA . 20.2 t -161.2 167.78 25.42 Favored 'General case' 0 N--CA 1.445 -0.716 0 CA-C-N 114.521 -1.218 . . . . 0.0 108.447 171.516 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 86' ' ' ARG . . . . . . . . . . . . . 8.0 ptp180 -102.78 78.02 1.64 Allowed 'General case' 0 C--N 1.319 -0.739 0 CA-C-O 121.748 0.785 . . . . 0.0 110.76 -178.927 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 87' ' ' LEU . . . . . 0.458 HD23 HD12 ' A' ' 102' ' ' LEU . 10.7 mp -83.4 153.17 65.33 Favored Pre-proline 0 C--N 1.325 -0.472 0 CA-C-N 115.176 -0.92 . . . . 0.0 110.155 178.504 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 88' ' ' PRO . . . . . 0.433 ' HG2' ' HB2' ' A' ' 101' ' ' SER . 6.3 Cg_endo -86.78 63.8 4.55 Favored 'Trans proline' 0 N--CA 1.452 -0.926 0 C-N-CA 122.994 2.463 . . . . 0.0 111.399 -179.959 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 89' ' ' THR . . . . . . . . . . . . . 15.2 m -72.52 95.08 1.76 Allowed 'General case' 0 C--N 1.321 -0.665 0 CA-C-N 115.576 -0.738 . . . . 0.0 110.765 -179.552 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 90' ' ' ALA . . . . . . . . . . . . . . . -101.51 110.53 22.55 Favored 'General case' 0 C--N 1.32 -0.709 0 CA-C-N 115.873 -0.603 . . . . 0.0 110.402 175.833 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 91' ' ' ASN . . . . . . . . . . . . . 9.4 p30 -85.06 -16.87 39.21 Favored 'General case' 0 C--N 1.326 -0.451 0 CA-C-O 120.933 0.397 . . . . 0.0 110.428 179.941 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 92' ' ' GLY . . . . . . . . . . . . . . . -110.23 24.08 19.22 Favored Glycine 0 N--CA 1.448 -0.523 0 C-N-CA 120.71 -0.757 . . . . 0.0 112.414 -179.507 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 17.4 t70 -78.09 -40.26 38.95 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-O 120.805 0.336 . . . . 0.0 110.812 -178.859 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 94' ' ' GLY . . . . . . . . . . . . . . . 95.58 -30.29 8.54 Favored Glycine 0 N--CA 1.45 -0.417 0 C-N-CA 120.967 -0.635 . . . . 0.0 112.563 179.936 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 95' ' ' GLY . . . . . . . . . . . . . . . 119.57 61.48 0.26 Allowed Glycine 0 N--CA 1.446 -0.652 0 C-N-CA 120.681 -0.771 . . . . 0.0 112.509 178.895 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 96' ' ' ALA . . . . . . . . . . . . . . . -141.11 79.69 1.7 Allowed 'General case' 0 C--N 1.323 -0.546 0 N-CA-C 109.918 -0.401 . . . . 0.0 109.918 175.831 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 97' ' ' LEU . . . . . . . . . . . . . 87.7 mt 66.92 -161.07 0.24 Allowed 'General case' 0 N--CA 1.464 0.263 0 CA-C-N 115.769 -0.65 . . . . 0.0 110.069 -173.866 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 98' ' ' ALA . . . . . . . . . . . . . . . 71.96 -52.24 0.7 Allowed 'General case' 0 N--CA 1.471 0.612 0 C-N-CA 123.521 0.728 . . . . 0.0 111.254 -178.189 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 99' ' ' LEU . . . . . . . . . . . . . 4.5 pp -66.16 -13.34 60.03 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.933 177.76 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 100' ' ' ASP . . . . . . . . . . . . . 12.0 t70 -64.99 -49.31 70.77 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 115.958 -0.564 . . . . 0.0 109.892 174.899 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 101' ' ' SER . . . . . 0.433 ' HB2' ' HG2' ' A' ' 88' ' ' PRO . 19.4 m -74.13 -13.09 60.77 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 115.955 -0.566 . . . . 0.0 110.453 178.616 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 102' ' ' LEU . . . . . 0.458 HD12 HD23 ' A' ' 87' ' ' LEU . 49.6 tp -73.59 -18.74 61.03 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 115.733 -0.667 . . . . 0.0 110.054 176.477 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 103' ' ' THR . . . . . . . . . . . . . 22.0 m -73.59 -52.81 12.18 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-O 121.373 0.606 . . . . 0.0 110.537 177.313 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 104' ' ' VAL . . . . . . . . . . . . . 8.4 p -161.41 143.86 3.93 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 CA-C-N 115.513 -0.767 . . . . 0.0 110.064 -177.34 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 105' ' ' LEU . . . . . 0.406 ' N ' HD23 ' A' ' 105' ' ' LEU . 2.4 pt? -163.38 -29.25 0.04 OUTLIER 'General case' 0 C--N 1.326 -0.441 0 CA-C-N 116.452 -0.34 . . . . 0.0 110.532 -179.175 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 106' ' ' GLY . . . . . . . . . . . . . . . 151.32 148.53 4.83 Favored Glycine 0 N--CA 1.444 -0.77 0 C-N-CA 120.846 -0.692 . . . . 0.0 112.379 178.747 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 107' ' ' ALA . . . . . . . . . . . . . . . -100.48 149.85 23.26 Favored 'General case' 0 C--N 1.322 -0.587 0 N-CA-C 110.199 -0.297 . . . . 0.0 110.199 177.444 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 108' ' ' GLY . . . . . . . . . . . . . . . 120.05 98.99 1.74 Allowed Glycine 0 N--CA 1.447 -0.583 0 C-N-CA 120.515 -0.85 . . . . 0.0 112.402 179.504 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 109' ' ' GLY . . . . . . . . . . . . . . . -162.64 156.28 27.9 Favored Glycine 0 N--CA 1.445 -0.706 0 N-CA-C 111.449 -0.66 . . . . 0.0 111.449 178.415 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 110' ' ' ASN . . . . . . . . . . . . . 64.8 t30 -113.64 143.24 44.91 Favored 'General case' 0 C--N 1.323 -0.563 0 N-CA-C 109.696 -0.483 . . . . 0.0 109.696 179.767 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 111' ' ' ASN . . . . . 0.439 ' ND2' ' HB ' ' A' ' 67' ' ' ILE . 58.6 t30 -123.63 68.36 1.02 Allowed 'General case' 0 C--N 1.324 -0.501 0 CA-C-O 121.413 0.625 . . . . 0.0 110.284 -177.625 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 112' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.251 1.152 0 CA-C-O 118.19 -0.909 . . . . 0.0 109.976 179.837 . . . . . . . . 0 0 . 1 . 018 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 32.9 t . . . . . 0 N--CA 1.477 0.879 0 N-CA-C 110.196 -0.298 . . . . 0.0 110.196 . . . . . . . . . 0 0 . 1 . 018 nuclear build full ' A' A ' 7' ' ' MET . . . . . . . . . . . . . 75.0 mtm 62.32 76.0 0.38 Allowed 'General case' 0 C--O 1.232 0.177 0 O-C-N 123.702 0.626 . . . . 0.0 111.426 -179.26 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -88.13 -48.0 8.05 Favored 'General case' 0 C--N 1.326 -0.451 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.188 176.957 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 9' ' ' GLN . . . . . . . . . . . . . 52.8 tt0 -76.28 -28.91 57.22 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.092 -0.504 . . . . 0.0 109.948 179.341 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -89.14 9.2 26.42 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 115.726 -0.67 . . . . 0.0 111.011 179.081 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -79.53 47.66 0.85 Allowed 'General case' 0 C--N 1.33 -0.266 0 CA-C-O 121.273 0.558 . . . . 0.0 110.363 177.79 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 11.7 pt20 -140.55 165.73 26.65 Favored 'General case' 0 C--N 1.321 -0.671 0 CA-C-N 115.521 -0.763 . . . . 0.0 110.114 -176.028 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 10.7 pt20 -135.0 157.29 47.32 Favored 'General case' 0 C--N 1.319 -0.726 0 CA-C-N 116.126 -0.488 . . . . 0.0 109.856 175.903 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 14' ' ' LYS . . . . . 0.519 ' HB2' ' CE2' ' A' ' 16' ' ' PHE . 28.3 mmmt -122.84 146.07 47.88 Favored 'General case' 0 C--N 1.321 -0.659 0 N-CA-C 109.849 -0.426 . . . . 0.0 109.849 -178.929 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 15' ' ' ASN . . . . . . . . . . . . . 10.3 t30 -93.0 101.92 14.26 Favored 'General case' 0 C--N 1.322 -0.62 0 CA-C-O 120.954 0.407 . . . . 0.0 110.095 179.04 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 16' ' ' PHE . . . . . 0.519 ' CE2' ' HB2' ' A' ' 14' ' ' LYS . 91.4 m-85 -100.49 134.92 42.73 Favored 'General case' 0 C--N 1.322 -0.623 0 CA-C-N 115.838 -0.619 . . . . 0.0 110.556 -178.604 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 3.4 p30 -132.62 89.35 2.63 Favored 'General case' 0 C--N 1.32 -0.714 0 CA-C-O 121.599 0.714 . . . . 0.0 109.19 173.127 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 18' ' ' ILE . . . . . 0.436 ' HB ' ' HB3' ' A' ' 53' ' ' LEU . 21.4 mm -115.21 115.75 50.39 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.522 0 CA-C-N 115.551 -0.749 . . . . 0.0 110.705 -173.181 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -72.68 153.98 40.94 Favored 'General case' 0 C--N 1.324 -0.513 0 N-CA-C 108.789 -0.819 . . . . 0.0 108.789 171.577 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -68.7 101.63 1.35 Allowed 'General case' 0 N--CA 1.454 -0.274 0 CA-C-O 121.637 0.732 . . . . 0.0 110.679 -175.341 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 21' ' ' GLN . . . . . . . . . . . . . 35.9 mt-30 -107.14 170.72 5.34 Favored Pre-proline 0 C--N 1.319 -0.73 0 CA-C-N 114.647 -1.16 . . . . 0.0 109.599 174.996 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 22' ' ' PRO . . . . . . . . . . . . . 54.5 Cg_exo -54.04 130.35 39.0 Favored 'Trans proline' 0 N--CA 1.461 -0.432 0 C-N-CA 121.657 1.571 . . . . 0.0 109.861 165.012 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -51.26 -44.57 61.81 Favored 'General case' 0 C--N 1.327 -0.375 0 N-CA-C 112.541 0.571 . . . . 0.0 112.541 -166.561 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 24' ' ' GLN . . . . . 0.503 ' HG3' ' C ' ' A' ' 112' ' ' ALA . 67.7 mt-30 -52.38 -55.73 19.7 Favored 'General case' 0 N--CA 1.465 0.321 0 O-C-N 123.235 0.334 . . . . 0.0 111.9 176.895 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 25' ' ' SER . . . . . 0.671 ' O ' ' HG2' ' A' ' 29' ' ' ARG . 19.1 p -69.74 -25.3 63.77 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.717 -0.22 . . . . 0.0 111.525 -178.616 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -56.73 -56.48 20.96 Favored 'General case' 0 C--O 1.234 0.243 0 CA-C-O 121.296 0.569 . . . . 0.0 111.173 -178.688 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 27' ' ' MET . . . . . 0.423 ' HA ' ' CE2' ' A' ' 30' ' ' PHE . 43.6 mtt -74.39 -29.17 61.42 Favored 'General case' 0 C--N 1.321 -0.648 0 CA-C-N 115.868 -0.606 . . . . 0.0 109.947 179.982 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 50.9 tp -58.31 -25.45 61.9 Favored 'General case' 0 C--O 1.213 -0.843 0 CA-C-N 116.387 -0.37 . . . . 0.0 110.277 176.843 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 29' ' ' ARG . . . . . 0.671 ' HG2' ' O ' ' A' ' 25' ' ' SER . 1.5 mmp_? -74.21 -60.76 2.12 Favored 'General case' 0 C--N 1.327 -0.394 0 O-C-N 122.259 -0.276 . . . . 0.0 111.575 178.667 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 30' ' ' PHE . . . . . 0.423 ' CE2' ' HA ' ' A' ' 27' ' ' MET . 5.2 p90 -80.85 -40.11 25.37 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-O 121.168 0.509 . . . . 0.0 111.469 -173.453 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 31' ' ' ALA . . . . . 0.436 ' HB1' ' HB2' ' A' ' 36' ' ' MET . . . -74.53 -33.5 62.77 Favored 'General case' 0 C--N 1.323 -0.561 0 CA-C-N 115.852 -0.613 . . . . 0.0 111.761 -172.636 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 8.0 pt-20 -61.79 -33.05 73.42 Favored 'General case' 0 N--CA 1.466 0.373 0 C-N-CA 120.085 -0.646 . . . . 0.0 110.351 -178.948 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 33' ' ' GLN . . . . . . . . . . . . . 76.7 mt-30 -76.67 -19.66 57.51 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 115.867 -0.606 . . . . 0.0 110.579 -179.47 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -95.14 -8.02 37.59 Favored 'General case' 0 C--N 1.326 -0.449 0 CA-C-N 116.053 -0.521 . . . . 0.0 111.15 177.574 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 88.96 34.95 8.5 Favored Glycine 0 N--CA 1.451 -0.302 0 C-N-CA 120.959 -0.639 . . . . 0.0 112.294 -179.642 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 36' ' ' MET . . . . . 0.436 ' HB2' ' HB1' ' A' ' 31' ' ' ALA . 89.6 mtp -135.27 157.39 47.04 Favored 'General case' 0 C--N 1.327 -0.37 0 N-CA-C 110.173 -0.306 . . . . 0.0 110.173 -179.246 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 37' ' ' GLN . . . . . 0.432 ' O ' ' HA ' ' A' ' 81' ' ' GLN . 60.7 tt0 -151.66 159.05 44.17 Favored 'General case' 0 C--N 1.325 -0.47 0 N-CA-C 109.994 -0.373 . . . . 0.0 109.994 -179.637 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 21.4 t -77.67 133.27 30.92 Favored 'Isoleucine or valine' 0 C--O 1.235 0.307 0 CA-C-N 116.577 -0.283 . . . . 0.0 110.412 -177.773 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 39' ' ' PHE . . . . . 0.49 ' HB2' ' HB2' ' A' ' 81' ' ' GLN . 86.4 t80 -101.49 123.19 45.13 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.293 -0.412 . . . . 0.0 110.78 -178.154 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 40' ' ' PHE . . . . . . . . . . . . . 20.6 p90 -167.69 140.92 3.35 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-N 115.929 -0.578 . . . . 0.0 110.098 178.86 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 9.1 p-10 -79.45 -177.68 5.9 Favored 'General case' 0 C--N 1.326 -0.456 0 N-CA-C 109.542 -0.54 . . . . 0.0 109.542 176.274 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 42.2 mt-10 -67.35 89.48 0.21 Allowed 'General case' 0 C--O 1.235 0.34 0 CA-C-O 121.406 0.622 . . . . 0.0 111.395 -176.005 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 43' ' ' VAL . . . . . . . . . . . . . 28.0 m -131.73 -177.99 2.41 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.586 0 CA-C-N 115.478 -0.783 . . . . 0.0 110.421 -179.275 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 38.6 ttpt -139.0 121.06 15.67 Favored 'General case' 0 C--N 1.32 -0.688 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.032 177.041 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 59.3 tp -106.6 98.98 8.58 Favored 'General case' 0 C--N 1.32 -0.704 0 N-CA-C 109.519 -0.549 . . . . 0.0 109.519 175.587 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 28.5 t70 -68.23 127.07 31.6 Favored 'General case' 0 C--N 1.324 -0.528 0 CA-C-N 116.319 -0.4 . . . . 0.0 110.174 179.669 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 89.36 17.23 55.82 Favored Glycine 0 N--CA 1.444 -0.811 0 C-N-CA 120.718 -0.753 . . . . 0.0 111.797 -177.745 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 48' ' ' MET . . . . . . . . . . . . . 23.1 ptt? -57.66 118.37 5.19 Favored 'General case' 0 C--O 1.234 0.243 0 CA-C-O 121.169 0.509 . . . . 0.0 110.475 178.613 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 63.5 tt0 -164.38 143.45 7.35 Favored 'General case' 0 C--N 1.322 -0.59 0 CA-C-N 116.048 -0.524 . . . . 0.0 110.174 -177.596 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -83.41 148.0 27.54 Favored 'General case' 0 C--N 1.32 -0.712 0 CA-C-N 115.929 -0.578 . . . . 0.0 110.154 178.034 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -76.34 170.93 15.42 Favored 'General case' 0 C--N 1.322 -0.593 0 CA-C-N 116.1 -0.5 . . . . 0.0 109.916 176.967 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -69.27 89.33 0.47 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 121.174 0.511 . . . . 0.0 110.227 179.546 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 53' ' ' LEU . . . . . 0.436 ' HB3' ' HB ' ' A' ' 18' ' ' ILE . 0.8 OUTLIER -99.31 99.48 10.43 Favored 'General case' 0 N--CA 1.446 -0.668 0 CA-C-N 115.759 -0.655 . . . . 0.0 109.86 -174.718 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 54' ' ' ASN . . . . . . . . . . . . . 4.2 p30 -144.58 99.76 3.41 Favored 'General case' 0 C--N 1.321 -0.65 0 CA-C-N 116.024 -0.535 . . . . 0.0 110.337 179.107 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . 177.92 169.63 39.11 Favored Glycine 0 N--CA 1.449 -0.482 0 C-N-CA 120.553 -0.832 . . . . 0.0 112.548 179.604 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 23.1 t -105.38 106.28 16.7 Favored 'General case' 0 C--N 1.322 -0.591 0 N-CA-C 109.142 -0.688 . . . . 0.0 109.142 175.381 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 57' ' ' MET . . . . . . . . . . . . . 10.5 ptt? -156.24 168.5 27.12 Favored 'General case' 0 C--N 1.324 -0.537 0 CA-C-N 116.085 -0.507 . . . . 0.0 110.516 -173.44 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 32.2 m -75.63 163.73 27.03 Favored 'General case' 0 C--N 1.324 -0.533 0 CA-C-N 116.467 -0.333 . . . . 0.0 111.109 -176.577 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 59' ' ' VAL . . . . . . . . . . . . . 29.4 t -53.5 -42.19 48.45 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.396 0 CA-C-O 120.553 0.216 . . . . 0.0 111.394 -176.615 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 60' ' ' GLU . . . . . 0.541 ' HA ' ' CZ ' ' A' ' 74' ' ' PHE . 44.1 mt-10 -55.07 -51.25 66.95 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-N 116.277 -0.42 . . . . 0.0 111.563 178.026 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 61' ' ' GLN . . . . . . . . . . . . . 30.4 mm-40 -68.97 -38.85 79.61 Favored 'General case' 0 C--N 1.325 -0.487 0 CA-C-O 120.788 0.328 . . . . 0.0 110.797 -179.852 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 62' ' ' GLY . . . . . 0.469 ' O ' ' HB2' ' A' ' 66' ' ' LEU . . . -62.74 -56.8 19.11 Favored Glycine 0 N--CA 1.446 -0.687 0 C-N-CA 121.045 -0.598 . . . . 0.0 112.509 -178.957 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 63' ' ' LEU . . . . . 0.437 ' O ' HG13 ' A' ' 67' ' ' ILE . 3.8 mm? -64.97 -46.25 82.28 Favored 'General case' 0 C--N 1.327 -0.401 0 N-CA-C 112.022 0.378 . . . . 0.0 112.022 -175.456 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 64' ' ' ARG . . . . . . . . . . . . . 74.3 mtt180 -59.3 -37.76 78.51 Favored 'General case' 0 N--CA 1.466 0.33 0 CA-C-O 120.755 0.312 . . . . 0.0 111.365 -177.705 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 65' ' ' ARG . . . . . . . . . . . . . 67.8 ttt180 -78.53 -39.4 38.01 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-O 120.79 0.328 . . . . 0.0 110.57 177.742 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 66' ' ' LEU . . . . . 0.469 ' HB2' ' O ' ' A' ' 62' ' ' GLY . 4.5 tt -59.85 -42.54 93.85 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 115.818 -0.628 . . . . 0.0 110.365 -179.95 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 67' ' ' ILE . . . . . 0.53 HG21 HD13 ' A' ' 84' ' ' LEU . 71.8 mt -73.81 -62.11 1.44 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.417 0 CA-C-N 115.573 -0.74 . . . . 0.0 111.059 -179.131 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . -113.43 -59.64 0.41 Allowed Glycine 0 N--CA 1.446 -0.686 0 C-N-CA 120.605 -0.807 . . . . 0.0 113.653 -175.556 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . 101.89 -19.86 47.99 Favored Glycine 0 N--CA 1.451 -0.343 0 N-CA-C 110.076 -1.21 . . . . 0.0 110.076 -168.833 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 70' ' ' ASN . . . . . . . . . . . . . 16.0 m120 -98.62 161.98 23.28 Favored Pre-proline 0 C--N 1.323 -0.559 0 CA-C-N 114.525 -0.838 . . . . 0.0 108.814 175.689 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 71' ' ' PRO . . . . . . . . . . . . . 18.7 Cg_endo -60.18 98.81 0.13 Allowed 'Trans proline' 0 C--N 1.347 0.456 0 C-N-CA 122.125 1.883 . . . . 0.0 112.124 177.144 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 72' ' ' VAL . . . . . . . . . . . . . 9.6 p -143.01 159.57 17.93 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.683 0 N-CA-C 108.55 -0.907 . . . . 0.0 108.55 -179.706 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 73' ' ' ALA . . . . . 0.453 ' HB3' ' HB2' ' A' ' 87' ' ' LEU . . . -115.64 133.6 55.87 Favored 'General case' 0 N--CA 1.445 -0.713 0 C-N-CA 120.567 -0.453 . . . . 0.0 111.56 -170.841 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 74' ' ' PHE . . . . . 0.644 ' CE1' ' HG ' ' A' ' 76' ' ' LEU . 3.2 p90 -105.99 159.61 15.92 Favored 'General case' 0 C--N 1.315 -0.895 0 N-CA-C 108.65 -0.87 . . . . 0.0 108.65 171.895 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 75' ' ' ARG . . . . . . . . . . . . . 58.7 mtm180 -123.56 104.61 9.15 Favored 'General case' 0 C--N 1.317 -0.827 0 CA-C-O 121.131 0.491 . . . . 0.0 110.366 175.131 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 76' ' ' LEU . . . . . 0.644 ' HG ' ' CE1' ' A' ' 74' ' ' PHE . 50.0 mt -92.27 122.8 35.09 Favored 'General case' 0 C--N 1.324 -0.514 0 CA-C-N 115.661 -0.7 . . . . 0.0 110.015 177.639 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 77' ' ' GLN . . . . . . . . . . . . . 82.0 mt-30 -114.12 142.6 28.22 Favored Pre-proline 0 C--N 1.316 -0.868 0 CA-C-N 116.039 -0.528 . . . . 0.0 109.8 179.715 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 78' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_exo -54.59 -10.42 2.38 Favored 'Trans proline' 0 C--N 1.352 0.712 0 C-N-CA 123.958 3.106 . . . . 0.0 114.107 -176.571 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 79' ' ' GLN . . . . . . . . . . . . . 76.3 mt-30 -67.11 -19.83 65.69 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 121.038 0.447 . . . . 0.0 110.36 174.981 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . 95.75 42.0 3.71 Favored Glycine 0 N--CA 1.449 -0.441 0 C-N-CA 120.931 -0.652 . . . . 0.0 112.301 178.375 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 81' ' ' GLN . . . . . 0.49 ' HB2' ' HB2' ' A' ' 39' ' ' PHE . 13.3 pt20 -131.43 150.79 52.01 Favored 'General case' 0 C--N 1.326 -0.454 0 CA-C-O 120.894 0.378 . . . . 0.0 110.995 -177.97 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 82' ' ' ILE . . . . . 0.549 HG22 HD21 ' A' ' 111' ' ' ASN . 25.6 mt -119.21 123.54 71.52 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.42 0 CA-C-N 115.643 -0.708 . . . . 0.0 110.145 -179.537 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 83' ' ' VAL . . . . . . . . . . . . . 7.1 p -139.08 139.03 40.85 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.537 0 CA-C-O 120.801 0.334 . . . . 0.0 110.714 178.129 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 84' ' ' LEU . . . . . 0.53 HD13 HG21 ' A' ' 67' ' ' ILE . 50.3 tp -88.62 151.39 22.5 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-N 116.176 -0.466 . . . . 0.0 111.108 -178.923 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 85' ' ' SER . . . . . . . . . . . . . 40.2 m -137.49 137.62 38.87 Favored 'General case' 0 N--CA 1.445 -0.707 0 N-CA-C 109.699 -0.482 . . . . 0.0 109.699 177.283 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 86' ' ' ARG . . . . . . . . . . . . . 23.5 tpp180 -76.61 81.0 3.27 Favored 'General case' 0 C--N 1.326 -0.45 0 CA-C-O 121.457 0.646 . . . . 0.0 110.091 -179.718 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 87' ' ' LEU . . . . . 0.491 HD13 ' O ' ' A' ' 102' ' ' LEU . 15.9 mt -136.44 118.79 11.79 Favored Pre-proline 0 C--N 1.322 -0.611 0 CA-C-N 115.243 -0.89 . . . . 0.0 109.425 -178.937 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 88' ' ' PRO . . . . . . . . . . . . . 16.3 Cg_exo -68.48 108.73 1.88 Allowed 'Trans proline' 0 C--O 1.233 0.242 0 C-N-CA 122.684 2.256 . . . . 0.0 112.02 -179.952 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 89' ' ' THR . . . . . . . . . . . . . 6.0 m -52.99 120.89 6.38 Favored 'General case' 0 C--O 1.234 0.248 0 CA-C-N 116.258 -0.428 . . . . 0.0 111.257 -179.707 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 90' ' ' ALA . . . . . . . . . . . . . . . -67.8 107.71 2.71 Favored 'General case' 0 N--CA 1.454 -0.235 0 CA-C-O 120.942 0.401 . . . . 0.0 111.211 -176.559 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 91' ' ' ASN . . . . . . . . . . . . . 8.4 p30 -131.16 -37.69 1.25 Allowed 'General case' 0 C--N 1.324 -0.538 0 CA-C-N 115.974 -0.557 . . . . 0.0 110.456 178.161 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 92' ' ' GLY . . . . . . . . . . . . . . . -87.91 -38.29 7.49 Favored Glycine 0 N--CA 1.45 -0.395 0 C-N-CA 120.742 -0.742 . . . . 0.0 111.966 178.213 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 9.8 t70 -68.78 -30.56 69.16 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-O 121.056 0.455 . . . . 0.0 110.869 178.824 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 94' ' ' GLY . . . . . . . . . . . . . . . 96.89 -30.35 9.11 Favored Glycine 0 N--CA 1.449 -0.475 0 C-N-CA 120.927 -0.654 . . . . 0.0 112.597 -177.765 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 95' ' ' GLY . . . . . . . . . . . . . . . 124.55 -20.87 6.84 Favored Glycine 0 N--CA 1.448 -0.551 0 C-N-CA 119.942 -1.123 . . . . 0.0 113.307 174.243 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 96' ' ' ALA . . . . . 0.456 ' O ' ' HB2' ' A' ' 97' ' ' LEU . . . -57.69 108.08 0.53 Allowed 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 116.814 0.307 . . . . 0.0 111.027 -178.041 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 97' ' ' LEU . . . . . 0.456 ' HB2' ' O ' ' A' ' 96' ' ' ALA . 8.7 mp 74.89 -22.71 0.25 Allowed 'General case' 0 N--CA 1.472 0.645 0 C-N-CA 123.67 0.788 . . . . 0.0 111.621 -178.421 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 98' ' ' ALA . . . . . 0.496 ' O ' ' HG ' ' A' ' 102' ' ' LEU . . . -66.12 -28.62 68.94 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.945 0.402 . . . . 0.0 110.706 -179.968 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 99' ' ' LEU . . . . . . . . . . . . . 84.0 mt -61.37 -31.75 71.64 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 115.882 -0.599 . . . . 0.0 110.664 177.65 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 100' ' ' ASP . . . . . . . . . . . . . 20.3 t70 -72.01 -37.19 69.83 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 121.078 0.466 . . . . 0.0 109.809 176.914 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 18.8 m -65.0 -21.23 66.82 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-N 116.067 -0.515 . . . . 0.0 110.132 176.991 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 102' ' ' LEU . . . . . 0.496 ' HG ' ' O ' ' A' ' 98' ' ' ALA . 83.5 mt -82.14 8.51 10.72 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-N 115.81 -0.632 . . . . 0.0 111.278 178.499 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 103' ' ' THR . . . . . . . . . . . . . 74.1 p -121.41 -3.27 9.41 Favored 'General case' 0 C--N 1.326 -0.44 0 CA-C-O 121.182 0.515 . . . . 0.0 110.547 174.068 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 104' ' ' VAL . . . . . . . . . . . . . 58.8 t -91.13 104.11 15.13 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.51 0 CA-C-N 115.752 -0.658 . . . . 0.0 111.162 -175.934 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 105' ' ' LEU . . . . . . . . . . . . . 55.8 tp 60.44 88.98 0.07 Allowed 'General case' 0 N--CA 1.463 0.212 0 CA-C-N 115.401 -0.818 . . . . 0.0 111.716 176.222 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 106' ' ' GLY . . . . . . . . . . . . . . . -79.22 -31.54 42.0 Favored Glycine 0 N--CA 1.447 -0.576 0 C-N-CA 120.62 -0.8 . . . . 0.0 111.94 178.174 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 107' ' ' ALA . . . . . . . . . . . . . . . -60.86 133.91 56.56 Favored 'General case' 0 C--N 1.325 -0.472 0 CA-C-O 120.859 0.361 . . . . 0.0 111.329 -179.344 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 108' ' ' GLY . . . . . . . . . . . . . . . 164.27 -26.68 0.2 Allowed Glycine 0 N--CA 1.448 -0.566 0 C-N-CA 121.014 -0.612 . . . . 0.0 112.21 -179.601 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 109' ' ' GLY . . . . . . . . . . . . . . . -158.09 137.95 5.54 Favored Glycine 0 N--CA 1.449 -0.495 0 C-N-CA 120.932 -0.651 . . . . 0.0 111.688 179.753 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 110' ' ' ASN . . . . . . . . . . . . . 4.5 p30 -108.12 152.99 23.79 Favored 'General case' 0 C--N 1.325 -0.499 0 CA-C-O 120.896 0.379 . . . . 0.0 110.245 -179.102 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 111' ' ' ASN . . . . . 0.549 HD21 HG22 ' A' ' 82' ' ' ILE . 15.3 p-10 -112.12 58.06 0.64 Allowed 'General case' 0 C--N 1.32 -0.69 0 CA-C-O 121.368 0.604 . . . . 0.0 110.245 179.162 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 112' ' ' ALA . . . . . 0.503 ' C ' ' HG3' ' A' ' 24' ' ' GLN . . . . . . . . 0 C--O 1.246 0.881 0 CA-C-N 115.334 -0.848 . . . . 0.0 110.609 -175.885 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 26.8 m . . . . . 0 N--CA 1.474 0.739 0 CA-C-O 120.692 0.282 . . . . 0.0 110.481 . . . . . . . . . 0 0 . 1 . 019 nuclear build full ' A' A ' 7' ' ' MET . . . . . . . . . . . . . 49.5 ttm -117.09 -59.61 1.93 Allowed 'General case' 0 C--N 1.327 -0.404 0 CA-C-O 120.69 0.281 . . . . 0.0 110.342 178.206 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -73.94 -37.31 64.61 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.248 -0.433 . . . . 0.0 111.358 -177.151 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 9' ' ' GLN . . . . . . . . . . . . . 86.5 mm-40 -86.18 -1.79 57.76 Favored 'General case' 0 C--N 1.326 -0.438 0 CA-C-O 121.088 0.47 . . . . 0.0 110.953 -179.734 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -102.71 19.95 18.19 Favored 'General case' 0 C--N 1.323 -0.575 0 CA-C-N 115.907 -0.588 . . . . 0.0 110.232 179.508 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 11' ' ' ALA . . . . . 0.448 ' HB1' ' CB ' ' A' ' 58' ' ' SER . . . 67.85 101.97 0.05 Allowed 'General case' 0 C--O 1.232 0.173 0 O-C-N 124.069 0.856 . . . . 0.0 110.376 -177.041 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 12' ' ' GLN . . . . . 0.574 ' O ' ' HA ' ' A' ' 58' ' ' SER . 11.4 pt20 -64.01 122.68 17.11 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-N 115.613 -0.722 . . . . 0.0 111.627 -174.043 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 63.7 tt0 -84.8 114.18 21.89 Favored 'General case' 0 C--N 1.324 -0.509 0 CA-C-N 115.976 -0.557 . . . . 0.0 110.592 -179.777 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 14' ' ' LYS . . . . . 0.523 ' HB2' ' CE2' ' A' ' 16' ' ' PHE . 14.7 mmmm -123.28 161.43 24.62 Favored 'General case' 0 C--N 1.324 -0.521 0 N-CA-C 109.778 -0.452 . . . . 0.0 109.778 179.285 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 15' ' ' ASN . . . . . . . . . . . . . 3.9 t-20 -96.25 123.94 40.07 Favored 'General case' 0 C--N 1.321 -0.648 0 N-CA-C 109.897 -0.408 . . . . 0.0 109.897 178.343 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 16' ' ' PHE . . . . . 0.523 ' CE2' ' HB2' ' A' ' 14' ' ' LYS . 85.4 m-85 -128.45 143.81 51.04 Favored 'General case' 0 C--N 1.324 -0.501 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.638 -179.309 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 17' ' ' ASN . . . . . 0.46 ' HA ' ' O ' ' A' ' 53' ' ' LEU . 49.4 t30 -144.12 92.18 2.29 Favored 'General case' 0 C--N 1.323 -0.546 0 CA-C-O 121.329 0.585 . . . . 0.0 109.804 176.034 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 18' ' ' ILE . . . . . . . . . . . . . 12.3 mm -112.04 129.68 67.08 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.713 0 CA-C-N 115.517 -0.765 . . . . 0.0 109.717 -176.843 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -76.11 159.9 30.28 Favored 'General case' 0 C--N 1.324 -0.528 0 N-CA-C 109.221 -0.659 . . . . 0.0 109.221 174.686 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -69.76 101.95 1.81 Allowed 'General case' 0 N--CA 1.453 -0.304 0 CA-C-O 121.483 0.659 . . . . 0.0 110.258 -178.092 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 21' ' ' GLN . . . . . . . . . . . . . 65.8 mt-30 -106.92 172.18 4.07 Favored Pre-proline 0 C--N 1.32 -0.683 0 CA-C-N 114.903 -1.044 . . . . 0.0 110.048 178.05 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 22' ' ' PRO . . . . . . . . . . . . . 50.5 Cg_exo -56.28 128.78 31.55 Favored 'Trans proline' 0 C--N 1.345 0.382 0 C-N-CA 121.599 1.532 . . . . 0.0 109.385 163.572 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 42.2 tp -49.82 -44.27 49.24 Favored 'General case' 0 N--CA 1.468 0.435 0 N-CA-C 113.251 0.834 . . . . 0.0 113.251 -166.911 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 78.6 mt-30 -65.55 -33.77 76.68 Favored 'General case' 0 C--N 1.325 -0.462 0 C-N-CA 121.076 -0.25 . . . . 0.0 111.669 -177.242 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 48.8 m -85.88 -25.68 26.05 Favored 'General case' 0 C--N 1.324 -0.539 0 CA-C-O 120.99 0.424 . . . . 0.0 110.338 177.776 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -59.12 -54.9 41.74 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 115.698 -0.683 . . . . 0.0 110.788 177.946 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 27' ' ' MET . . . . . 0.681 ' HB2' ' CG1' ' A' ' 38' ' ' VAL . 52.0 mtt -69.68 -24.74 63.64 Favored 'General case' 0 C--O 1.213 -0.861 0 CA-C-N 116.017 -0.538 . . . . 0.0 110.292 178.937 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 28' ' ' LEU . . . . . 0.673 ' O ' ' HG3' ' A' ' 32' ' ' GLU . 8.9 tt -60.96 -47.67 85.39 Favored 'General case' 0 C--N 1.321 -0.633 0 N-CA-C 108.656 -0.868 . . . . 0.0 108.656 175.803 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 29' ' ' ARG . . . . . 0.536 ' HD3' ' OE1' ' A' ' 32' ' ' GLU . 28.2 mmt180 -71.25 -43.6 66.94 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.213 -0.448 . . . . 0.0 111.395 179.792 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 6.0 t80 -63.28 -53.68 49.04 Favored 'General case' 0 C--N 1.325 -0.489 0 CA-C-O 121.276 0.56 . . . . 0.0 111.038 178.161 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 31' ' ' ALA . . . . . 0.485 ' HA ' ' HB3' ' A' ' 34' ' ' ALA . . . -72.41 -15.6 61.84 Favored 'General case' 0 C--N 1.321 -0.637 0 CA-C-N 115.712 -0.676 . . . . 0.0 111.057 -175.358 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 32' ' ' GLU . . . . . 0.673 ' HG3' ' O ' ' A' ' 28' ' ' LEU . 18.3 mt-10 -52.04 -37.45 53.61 Favored 'General case' 0 N--CA 1.468 0.452 0 C-N-CA 120.502 -0.479 . . . . 0.0 109.869 168.944 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 33' ' ' GLN . . . . . . . . . . . . . 85.9 mm-40 -90.81 -13.48 33.76 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 115.876 -0.602 . . . . 0.0 111.432 -179.345 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 34' ' ' ALA . . . . . 0.485 ' HB3' ' HA ' ' A' ' 31' ' ' ALA . . . -100.46 -13.78 18.55 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-O 120.884 0.373 . . . . 0.0 111.768 -178.843 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 89.06 35.07 8.35 Favored Glycine 0 CA--C 1.519 0.316 0 C-N-CA 121.314 -0.47 . . . . 0.0 112.849 178.213 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 36' ' ' MET . . . . . . . . . . . . . 65.0 mtm -145.93 175.91 10.09 Favored 'General case' 0 N--CA 1.465 0.286 0 CA-C-N 116.805 0.303 . . . . 0.0 111.242 -176.841 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 37' ' ' GLN . . . . . . . . . . . . . 25.1 mt-30 -149.71 162.77 39.58 Favored 'General case' 0 C--N 1.332 -0.193 0 C-N-CA 123.517 0.727 . . . . 0.0 109.592 175.822 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 38' ' ' VAL . . . . . 0.681 ' CG1' ' HB2' ' A' ' 27' ' ' MET . 33.7 m -76.38 143.61 12.84 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-O 121.06 0.457 . . . . 0.0 111.354 -175.747 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 39' ' ' PHE . . . . . . . . . . . . . 45.9 t80 -144.97 119.74 9.87 Favored 'General case' 0 C--N 1.322 -0.602 0 CA-C-N 115.828 -0.623 . . . . 0.0 109.94 176.889 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 40' ' ' PHE . . . . . . . . . . . . . 92.4 m-85 -134.79 170.02 16.48 Favored 'General case' 0 C--N 1.317 -0.84 0 N-CA-C 109.07 -0.715 . . . . 0.0 109.07 176.234 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 7.7 p-10 -65.99 151.42 46.83 Favored 'General case' 0 C--N 1.322 -0.619 0 N-CA-C 109.482 -0.562 . . . . 0.0 109.482 177.296 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 53.5 mt-10 -69.99 92.15 0.71 Allowed 'General case' 0 C--N 1.324 -0.501 0 CA-C-O 121.125 0.488 . . . . 0.0 111.228 -174.922 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 43' ' ' VAL . . . . . . . . . . . . . 11.7 p -149.52 136.42 13.0 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.61 0 CA-C-N 115.588 -0.733 . . . . 0.0 109.41 176.026 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 37.0 ttpt -83.96 90.84 7.48 Favored 'General case' 0 C--N 1.323 -0.586 0 CA-C-O 120.795 0.331 . . . . 0.0 110.35 -179.465 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 45.7 tp -123.17 111.36 16.41 Favored 'General case' 0 C--N 1.321 -0.658 0 CA-C-O 120.913 0.387 . . . . 0.0 110.076 177.612 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 25.6 t70 -106.74 161.56 14.56 Favored 'General case' 0 C--N 1.322 -0.627 0 CA-C-N 116.017 -0.538 . . . . 0.0 110.151 -178.655 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 111.41 21.6 6.47 Favored Glycine 0 N--CA 1.449 -0.433 0 C-N-CA 120.732 -0.746 . . . . 0.0 111.819 -178.575 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 48' ' ' MET . . . . . . . . . . . . . 64.3 mtt -99.44 119.29 37.76 Favored 'General case' 0 C--N 1.322 -0.591 0 CA-C-O 120.844 0.354 . . . . 0.0 110.218 -179.304 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 7.4 tp60 -124.35 136.77 54.34 Favored 'General case' 0 C--N 1.32 -0.678 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.384 -178.871 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -83.55 163.26 20.53 Favored 'General case' 0 C--N 1.324 -0.532 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.212 177.604 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -97.98 167.95 10.59 Favored 'General case' 0 C--N 1.322 -0.622 0 CA-C-N 116.425 -0.352 . . . . 0.0 110.587 178.808 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -61.16 108.81 0.96 Allowed 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.051 -0.522 . . . . 0.0 110.753 178.429 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 53' ' ' LEU . . . . . 0.46 ' O ' ' HA ' ' A' ' 17' ' ' ASN . 1.4 tm? -104.61 110.8 23.25 Favored 'General case' 0 C--N 1.321 -0.643 0 CA-C-N 115.606 -0.725 . . . . 0.0 110.061 -175.368 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 54' ' ' ASN . . . . . . . . . . . . . 10.8 p30 -155.83 106.9 2.5 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-O 121.258 0.551 . . . . 0.0 111.126 174.888 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . 177.82 174.21 43.95 Favored Glycine 0 N--CA 1.449 -0.467 0 C-N-CA 120.161 -1.019 . . . . 0.0 112.936 177.504 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 38.2 p -105.36 109.37 21.32 Favored 'General case' 0 C--N 1.323 -0.563 0 N-CA-C 109.16 -0.682 . . . . 0.0 109.16 172.453 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 57' ' ' MET . . . . . . . . . . . . . 14.8 ptt? -159.52 174.13 15.11 Favored 'General case' 0 C--N 1.32 -0.693 0 CA-C-N 116.445 -0.343 . . . . 0.0 110.732 -173.139 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 58' ' ' SER . . . . . 0.574 ' HA ' ' O ' ' A' ' 12' ' ' GLN . 5.1 m -86.07 169.48 13.11 Favored 'General case' 0 C--N 1.318 -0.769 0 CA-C-N 116.082 -0.508 . . . . 0.0 110.566 -178.189 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 59' ' ' VAL . . . . . 0.467 ' O ' HD23 ' A' ' 63' ' ' LEU . 38.5 t -58.64 -44.01 88.7 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.346 0 CA-C-O 120.948 0.404 . . . . 0.0 110.356 -179.288 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 60' ' ' GLU . . . . . 0.527 ' O ' ' HG3' ' A' ' 64' ' ' ARG . 42.6 mp0 -55.79 -53.83 51.89 Favored 'General case' 0 C--N 1.325 -0.487 0 CA-C-N 115.664 -0.698 . . . . 0.0 110.521 178.997 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 61' ' ' GLN . . . . . . . . . . . . . 95.4 mt-30 -66.17 -36.9 84.3 Favored 'General case' 0 C--N 1.323 -0.57 0 CA-C-N 115.588 -0.733 . . . . 0.0 110.843 -178.365 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . -62.21 -52.35 50.26 Favored Glycine 0 N--CA 1.445 -0.765 0 CA-C-N 115.693 -0.685 . . . . 0.0 112.342 179.962 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 63' ' ' LEU . . . . . 0.467 HD23 ' O ' ' A' ' 59' ' ' VAL . 4.3 mm? -58.09 -45.26 87.5 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-O 120.52 0.2 . . . . 0.0 111.501 -178.537 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 64' ' ' ARG . . . . . 0.527 ' HG3' ' O ' ' A' ' 60' ' ' GLU . 92.4 mtt180 -53.03 -53.77 45.24 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.408 -0.36 . . . . 0.0 110.688 -179.743 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 65' ' ' ARG . . . . . . . . . . . . . 63.2 ttt180 -71.33 -36.13 71.44 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 115.886 -0.597 . . . . 0.0 111.361 -178.571 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 6.9 tt -62.96 -46.27 88.5 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 115.952 -0.567 . . . . 0.0 111.169 -175.737 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 67' ' ' ILE . . . . . 0.528 ' HB ' ' ND2' ' A' ' 111' ' ' ASN . 19.8 mt -82.62 -65.96 0.79 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 C-N-CA 120.559 -0.456 . . . . 0.0 111.67 -173.37 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . -117.0 -49.44 0.42 Allowed Glycine 0 N--CA 1.45 -0.382 0 C-N-CA 120.768 -0.729 . . . . 0.0 113.474 -176.93 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . 104.79 -8.61 46.76 Favored Glycine 0 N--CA 1.449 -0.453 0 N-CA-C 110.368 -1.093 . . . . 0.0 110.368 -166.096 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 70' ' ' ASN . . . . . 0.483 ' OD1' ' HD2' ' A' ' 71' ' ' PRO . 55.9 t30 -100.5 136.36 19.97 Favored Pre-proline 0 C--N 1.328 -0.356 0 CA-C-N 114.866 -0.667 . . . . 0.0 109.764 -179.653 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 71' ' ' PRO . . . . . 0.483 ' HD2' ' OD1' ' A' ' 70' ' ' ASN . 52.1 Cg_exo -54.72 117.46 4.01 Favored 'Trans proline' 0 C--N 1.346 0.407 0 C-N-CA 122.514 2.143 . . . . 0.0 112.27 174.912 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 72' ' ' VAL . . . . . . . . . . . . . 2.9 p -150.17 162.16 3.98 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 N-CA-C 108.418 -0.956 . . . . 0.0 108.418 -176.061 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -103.27 123.3 46.5 Favored 'General case' 0 C--N 1.321 -0.632 0 CA-C-O 121.187 0.517 . . . . 0.0 111.072 -169.463 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 74' ' ' PHE . . . . . . . . . . . . . 23.8 p90 -133.69 119.34 19.22 Favored 'General case' 0 C--N 1.312 -1.028 0 CA-C-N 115.512 -0.767 . . . . 0.0 109.134 -179.49 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 75' ' ' ARG . . . . . . . . . . . . . 12.7 ptt180 -90.36 108.79 19.99 Favored 'General case' 0 C--N 1.322 -0.605 0 CA-C-O 121.365 0.602 . . . . 0.0 110.781 -177.074 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 76' ' ' LEU . . . . . . . . . . . . . 25.7 mt -80.27 98.42 7.39 Favored 'General case' 0 C--N 1.322 -0.588 0 CA-C-N 115.099 -0.955 . . . . 0.0 109.012 177.002 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 77' ' ' GLN . . . . . 0.448 ' HA ' ' HD3' ' A' ' 78' ' ' PRO . 46.3 mt-30 -84.69 129.45 56.98 Favored Pre-proline 0 C--N 1.318 -0.789 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.497 -175.992 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 78' ' ' PRO . . . . . 0.448 ' HD3' ' HA ' ' A' ' 77' ' ' GLN . 31.9 Cg_exo -59.58 -9.86 10.08 Favored 'Trans proline' 0 C--N 1.347 0.453 0 C-N-CA 123.235 2.623 . . . . 0.0 112.62 179.662 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 79' ' ' GLN . . . . . . . . . . . . . 76.9 mm-40 -80.01 -7.28 58.74 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.47 177.459 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . 97.42 25.71 10.72 Favored Glycine 0 N--CA 1.447 -0.568 0 C-N-CA 120.828 -0.701 . . . . 0.0 112.95 176.715 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 81' ' ' GLN . . . . . . . . . . . . . 1.1 mp0 -125.55 130.93 52.69 Favored 'General case' 0 C--N 1.325 -0.468 0 CA-C-N 117.162 0.481 . . . . 0.0 111.118 -179.826 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 82' ' ' ILE . . . . . . . . . . . . . 62.5 mt -106.65 118.44 54.37 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.39 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.169 176.931 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 83' ' ' VAL . . . . . . . . . . . . . 25.2 t -120.4 133.89 65.65 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.417 -0.356 . . . . 0.0 110.352 179.347 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 84' ' ' LEU . . . . . 0.578 HD23 ' N ' ' A' ' 85' ' ' SER . 2.3 tt -107.92 139.11 43.02 Favored 'General case' 0 C--N 1.327 -0.405 0 N-CA-C 109.621 -0.511 . . . . 0.0 109.621 -177.439 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 85' ' ' SER . . . . . 0.578 ' N ' HD23 ' A' ' 84' ' ' LEU . 39.7 m -142.47 155.06 45.03 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.881 0.372 . . . . 0.0 110.007 176.913 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 86' ' ' ARG . . . . . . . . . . . . . 30.6 ttt180 -87.22 96.38 10.31 Favored 'General case' 0 C--N 1.323 -0.562 0 CA-C-O 120.972 0.415 . . . . 0.0 110.867 -177.234 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 87' ' ' LEU . . . . . . . . . . . . . 3.8 mm? -117.99 142.76 31.47 Favored Pre-proline 0 C--N 1.324 -0.516 0 CA-C-N 115.865 -0.607 . . . . 0.0 109.939 176.311 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 88' ' ' PRO . . . . . . . . . . . . . 98.0 Cg_endo -84.41 -161.12 0.13 Allowed 'Trans proline' 0 N--CA 1.461 -0.42 0 C-N-CA 123.136 2.558 . . . . 0.0 112.792 -179.458 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 89' ' ' THR . . . . . . . . . . . . . 26.3 m -56.03 128.13 33.85 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-O 120.988 0.423 . . . . 0.0 111.322 178.94 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 90' ' ' ALA . . . . . . . . . . . . . . . -83.99 159.63 21.19 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-N 116.078 -0.51 . . . . 0.0 110.816 178.756 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 91' ' ' ASN . . . . . . . . . . . . . 55.6 t30 -62.96 -32.11 73.37 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-O 120.925 0.393 . . . . 0.0 110.928 -177.475 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 92' ' ' GLY . . . . . . . . . . . . . . . -60.98 -23.32 61.4 Favored Glycine 0 CA--C 1.52 0.351 0 CA-C-N 115.902 -0.59 . . . . 0.0 113.106 -179.617 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 33.6 t70 -82.45 -10.38 59.05 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 121.236 0.541 . . . . 0.0 110.594 -179.621 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 94' ' ' GLY . . . . . . . . . . . . . . . 95.31 21.18 25.48 Favored Glycine 0 N--CA 1.45 -0.428 0 C-N-CA 120.791 -0.719 . . . . 0.0 112.412 -179.276 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 95' ' ' GLY . . . . . . . . . . . . . . . -79.66 135.97 16.24 Favored Glycine 0 N--CA 1.448 -0.567 0 C-N-CA 120.875 -0.679 . . . . 0.0 112.131 178.274 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 96' ' ' ALA . . . . . . . . . . . . . . . -85.95 138.23 32.16 Favored 'General case' 0 C--N 1.325 -0.483 0 N-CA-C 110.057 -0.349 . . . . 0.0 110.057 179.489 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 97' ' ' LEU . . . . . . . . . . . . . 88.7 mt 61.25 22.31 12.68 Favored 'General case' 0 N--CA 1.466 0.334 0 O-C-N 123.559 0.537 . . . . 0.0 110.591 -176.219 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 98' ' ' ALA . . . . . . . . . . . . . . . -73.0 -30.16 63.57 Favored 'General case' 0 N--CA 1.45 -0.453 0 CA-C-N 115.541 -0.754 . . . . 0.0 110.672 -177.581 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 99' ' ' LEU . . . . . . . . . . . . . 96.0 mt -62.41 -41.61 98.81 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 116.387 -0.369 . . . . 0.0 110.451 178.76 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 100' ' ' ASP . . . . . . . . . . . . . 6.5 m-20 -65.84 -44.61 84.98 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.421 -0.354 . . . . 0.0 111.31 -179.774 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 10.7 p -74.45 -35.26 63.34 Favored 'General case' 0 C--N 1.326 -0.454 0 CA-C-O 120.729 0.299 . . . . 0.0 111.278 -177.373 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 102' ' ' LEU . . . . . . . . . . . . . 24.7 tp -69.08 -17.71 63.9 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.968 0.414 . . . . 0.0 110.739 179.826 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 103' ' ' THR . . . . . . . . . . . . . 94.6 m -75.69 -16.51 60.16 Favored 'General case' 0 CA--C 1.534 0.359 0 CA-C-O 121.435 0.636 . . . . 0.0 110.636 178.421 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 104' ' ' VAL . . . . . . . . . . . . . 43.0 t -89.2 95.19 5.24 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 CA-C-N 116.248 -0.433 . . . . 0.0 109.95 178.136 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 105' ' ' LEU . . . . . . . . . . . . . 3.9 mm? -69.22 97.86 0.97 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.171 179.386 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 106' ' ' GLY . . . . . . . . . . . . . . . -65.68 109.92 3.18 Favored Glycine 0 N--CA 1.446 -0.689 0 CA-C-N 115.925 -0.58 . . . . 0.0 112.3 -179.857 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 107' ' ' ALA . . . . . . . . . . . . . . . -71.56 145.74 48.88 Favored 'General case' 0 C--N 1.325 -0.488 0 CA-C-O 120.739 0.304 . . . . 0.0 110.305 179.842 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 108' ' ' GLY . . . . . . . . . . . . . . . 92.11 111.75 1.87 Allowed Glycine 0 N--CA 1.445 -0.715 0 C-N-CA 120.821 -0.705 . . . . 0.0 111.704 -177.51 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 109' ' ' GLY . . . . . . . . . . . . . . . -73.8 97.55 0.91 Allowed Glycine 0 N--CA 1.445 -0.719 0 C-N-CA 120.281 -0.962 . . . . 0.0 111.555 179.349 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 110' ' ' ASN . . . . . . . . . . . . . 91.6 m-20 -122.9 79.73 1.68 Allowed 'General case' 0 C--N 1.323 -0.558 0 N-CA-C 110.142 -0.318 . . . . 0.0 110.142 -178.993 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 111' ' ' ASN . . . . . 0.528 ' ND2' ' HB ' ' A' ' 67' ' ' ILE . 40.3 t-20 -63.81 -58.1 7.86 Favored 'General case' 0 C--N 1.324 -0.519 0 CA-C-N 116.058 -0.519 . . . . 0.0 109.722 179.07 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 112' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.251 1.18 0 CA-C-O 118.391 -0.814 . . . . 0.0 110.073 177.831 . . . . . . . . 0 0 . 1 . 020 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 22.1 p . . . . . 0 N--CA 1.479 1.015 0 CA-C-O 120.48 0.181 . . . . 0.0 111.379 . . . . . . . . . 0 0 . 1 . 020 nuclear build full ' A' A ' 7' ' ' MET . . . . . . . . . . . . . 65.7 mtt 57.3 48.07 15.62 Favored 'General case' 0 N--CA 1.465 0.313 0 CA-C-O 120.849 0.357 . . . . 0.0 110.986 178.46 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -74.8 -53.92 8.26 Favored 'General case' 0 C--N 1.325 -0.484 0 CA-C-N 116.4 -0.364 . . . . 0.0 110.92 -177.313 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 9' ' ' GLN . . . . . . . . . . . . . 50.5 tt0 -73.24 -32.13 64.53 Favored 'General case' 0 C--N 1.326 -0.44 0 CA-C-O 121.332 0.587 . . . . 0.0 109.862 -179.235 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -68.91 -41.16 78.57 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-N 115.505 -0.771 . . . . 0.0 110.729 177.597 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . 54.19 75.42 0.28 Allowed 'General case' 0 C--O 1.234 0.285 0 O-C-N 123.548 0.53 . . . . 0.0 111.172 179.605 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 22.8 tp60 -83.07 110.51 18.07 Favored 'General case' 0 C--N 1.324 -0.524 0 CA-C-N 115.607 -0.724 . . . . 0.0 109.742 -178.751 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 8.2 pt20 -139.4 152.26 46.94 Favored 'General case' 0 C--N 1.322 -0.61 0 CA-C-N 115.871 -0.604 . . . . 0.0 110.362 -178.438 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 31.7 mmmt -109.49 146.39 34.66 Favored 'General case' 0 C--N 1.322 -0.593 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.039 178.404 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 15' ' ' ASN . . . . . . . . . . . . . 58.0 t30 -89.44 105.07 17.55 Favored 'General case' 0 C--N 1.322 -0.609 0 CA-C-N 116.031 -0.531 . . . . 0.0 110.082 -179.655 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 16' ' ' PHE . . . . . . . . . . . . . 87.0 m-85 -99.47 109.5 22.05 Favored 'General case' 0 C--N 1.321 -0.663 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.829 -179.235 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 17' ' ' ASN . . . . . 0.534 ' HA ' ' O ' ' A' ' 53' ' ' LEU . 56.2 t30 -139.34 91.04 2.46 Favored 'General case' 0 C--N 1.319 -0.753 0 N-CA-C 108.962 -0.755 . . . . 0.0 108.962 172.796 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 18' ' ' ILE . . . . . . . . . . . . . 12.5 mt -124.98 114.19 39.26 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.744 0 CA-C-N 115.535 -0.757 . . . . 0.0 110.375 -173.027 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -61.9 148.53 43.21 Favored 'General case' 0 C--N 1.328 -0.354 0 N-CA-C 109.004 -0.739 . . . . 0.0 109.004 172.696 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -63.17 102.67 0.4 Allowed 'General case' 0 C--N 1.33 -0.255 0 CA-C-O 121.306 0.574 . . . . 0.0 111.411 -172.531 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 21' ' ' GLN . . . . . . . . . . . . . 76.0 mt-30 -107.37 167.93 8.71 Favored Pre-proline 0 C--N 1.32 -0.69 0 CA-C-N 115.218 -0.901 . . . . 0.0 109.942 173.663 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 22' ' ' PRO . . . . . . . . . . . . . 52.1 Cg_exo -57.15 141.6 94.37 Favored 'Trans proline' 0 N--CA 1.461 -0.395 0 C-N-CA 121.92 1.746 . . . . 0.0 109.978 166.373 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 23' ' ' LEU . . . . . 0.455 HD21 ' HA ' ' A' ' 67' ' ' ILE . 8.6 mt -58.33 -26.18 62.79 Favored 'General case' 0 C--N 1.326 -0.439 0 N-CA-C 113.605 0.965 . . . . 0.0 113.605 -168.923 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 22.2 mp0 -65.66 -54.33 29.05 Favored 'General case' 0 C--N 1.326 -0.452 0 CA-C-O 120.923 0.392 . . . . 0.0 110.017 175.462 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 25' ' ' SER . . . . . 0.669 ' O ' ' HG2' ' A' ' 29' ' ' ARG . 43.6 t -65.77 -35.8 81.74 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 115.946 -0.57 . . . . 0.0 110.62 179.117 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -53.57 -52.38 59.92 Favored 'General case' 0 C--O 1.232 0.179 0 CA-C-O 120.978 0.418 . . . . 0.0 111.642 -178.235 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 27' ' ' MET . . . . . 0.583 ' SD ' HG12 ' A' ' 38' ' ' VAL . 40.7 mtt -76.86 -31.66 56.97 Favored 'General case' 0 C--O 1.215 -0.734 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.241 -179.48 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 28' ' ' LEU . . . . . 0.415 ' C ' HD23 ' A' ' 28' ' ' LEU . 8.3 tt -56.71 -32.29 65.35 Favored 'General case' 0 C--N 1.322 -0.622 0 N-CA-C 109.667 -0.494 . . . . 0.0 109.667 175.455 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 29' ' ' ARG . . . . . 0.669 ' HG2' ' O ' ' A' ' 25' ' ' SER . 20.9 mmt180 -67.91 -60.24 2.66 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 116.432 -0.349 . . . . 0.0 110.886 176.405 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 20.6 t80 -74.27 -56.01 5.37 Favored 'General case' 0 C--N 1.325 -0.476 0 N-CA-C 112.115 0.413 . . . . 0.0 112.115 -176.674 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 31' ' ' ALA . . . . . 0.406 ' HB1' ' HB2' ' A' ' 36' ' ' MET . . . -59.24 -37.29 77.18 Favored 'General case' 0 C--N 1.322 -0.611 0 CA-C-N 115.815 -0.629 . . . . 0.0 112.458 -169.546 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 21.1 mt-10 -60.47 -33.81 73.12 Favored 'General case' 0 N--CA 1.466 0.355 0 C-N-CA 120.037 -0.665 . . . . 0.0 111.707 -178.528 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 33' ' ' GLN . . . . . . . . . . . . . 1.3 mp0 -81.49 -8.94 59.79 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 120.938 0.399 . . . . 0.0 110.918 177.666 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -108.15 8.0 27.83 Favored 'General case' 0 C--N 1.324 -0.528 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.878 179.052 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 76.47 30.15 57.02 Favored Glycine 0 N--CA 1.452 -0.237 0 C-N-CA 121.103 -0.57 . . . . 0.0 112.751 178.573 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 36' ' ' MET . . . . . 0.532 ' HA ' ' O ' ' A' ' 80' ' ' GLY . 74.4 mtm -134.26 174.16 10.82 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-O 120.799 0.333 . . . . 0.0 110.91 -179.162 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 37' ' ' GLN . . . . . . . . . . . . . 55.3 tt0 -160.26 163.07 33.74 Favored 'General case' 0 C--N 1.325 -0.49 0 N-CA-C 108.773 -0.825 . . . . 0.0 108.773 -179.572 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 38' ' ' VAL . . . . . 0.583 HG12 ' SD ' ' A' ' 27' ' ' MET . 34.4 m -75.14 147.54 8.28 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.436 0 CA-C-O 120.836 0.351 . . . . 0.0 111.091 -175.516 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 39' ' ' PHE . . . . . . . . . . . . . 65.1 t80 -142.24 121.54 13.1 Favored 'General case' 0 C--N 1.324 -0.52 0 CA-C-O 121.223 0.535 . . . . 0.0 110.929 175.336 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 40' ' ' PHE . . . . . . . . . . . . . 44.0 p90 -161.63 143.87 11.75 Favored 'General case' 0 C--N 1.321 -0.632 0 CA-C-N 115.307 -0.86 . . . . 0.0 109.165 175.212 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 26.0 t70 -123.36 -56.28 1.72 Allowed 'General case' 0 C--N 1.321 -0.66 0 CA-C-O 120.986 0.422 . . . . 0.0 109.985 179.563 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 43.9 mt-10 -128.38 89.15 2.86 Favored 'General case' 0 C--N 1.322 -0.603 0 CA-C-N 115.88 -0.6 . . . . 0.0 110.239 176.035 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 43' ' ' VAL . . . . . . . . . . . . . 27.0 m -130.7 -162.12 0.32 Allowed 'Isoleucine or valine' 0 C--N 1.321 -0.637 0 CA-C-N 115.598 -0.728 . . . . 0.0 109.67 -179.54 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 37.9 ttpt -50.56 142.2 11.19 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-O 120.868 0.366 . . . . 0.0 110.812 176.254 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 53.1 tp -48.29 131.83 16.46 Favored 'General case' 0 C--O 1.234 0.28 0 CA-C-N 115.403 -0.817 . . . . 0.0 111.369 179.907 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 17.0 t70 -56.29 149.63 16.06 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 115.647 -0.706 . . . . 0.0 110.809 179.058 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 120.24 13.64 5.78 Favored Glycine 0 N--CA 1.444 -0.811 0 N-CA-C 110.274 -1.13 . . . . 0.0 110.274 -169.162 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 48' ' ' MET . . . . . 0.454 ' HG3' ' HB2' ' A' ' 23' ' ' LEU . 16.9 ptt? -86.85 137.07 32.71 Favored 'General case' 0 N--CA 1.449 -0.496 0 CA-C-N 115.026 -0.587 . . . . 0.0 110.287 -177.902 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 26.7 pt20 -138.05 151.31 47.74 Favored 'General case' 0 C--N 1.32 -0.683 0 CA-C-N 116.112 -0.495 . . . . 0.0 110.507 -174.582 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -87.49 -176.5 5.62 Favored 'General case' 0 C--N 1.321 -0.649 0 CA-C-N 115.578 -0.737 . . . . 0.0 110.442 -178.757 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -111.44 168.36 9.6 Favored 'General case' 0 C--N 1.322 -0.616 0 N-CA-C 109.777 -0.453 . . . . 0.0 109.777 176.786 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -65.05 95.74 0.18 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 121.104 0.478 . . . . 0.0 110.099 176.954 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 53' ' ' LEU . . . . . 0.534 ' O ' ' HA ' ' A' ' 17' ' ' ASN . 57.2 tp -88.24 126.56 35.22 Favored 'General case' 0 C--N 1.32 -0.675 0 CA-C-N 115.573 -0.739 . . . . 0.0 111.194 -174.113 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 54' ' ' ASN . . . . . . . . . . . . . 22.5 t-20 -145.76 101.21 3.52 Favored 'General case' 0 C--N 1.323 -0.565 0 CA-C-N 116.217 -0.447 . . . . 0.0 109.825 176.44 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . -172.03 152.3 16.88 Favored Glycine 0 N--CA 1.447 -0.591 0 C-N-CA 120.405 -0.902 . . . . 0.0 112.757 -179.039 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 15.4 m -106.49 109.8 21.83 Favored 'General case' 0 C--N 1.322 -0.619 0 N-CA-C 109.369 -0.604 . . . . 0.0 109.369 177.362 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 57' ' ' MET . . . . . . . . . . . . . 11.1 ptt? -163.13 -178.58 6.1 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-N 116.63 -0.259 . . . . 0.0 111.271 -170.358 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 42.7 m -86.27 172.31 10.57 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-N 116.368 -0.378 . . . . 0.0 111.125 -179.452 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 59' ' ' VAL . . . . . . . . . . . . . 23.9 t -58.0 -47.17 87.36 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.282 0 CA-C-O 120.543 0.211 . . . . 0.0 110.908 -179.446 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 60' ' ' GLU . . . . . 0.565 ' O ' ' HG3' ' A' ' 64' ' ' ARG . 24.8 mt-10 -51.83 -55.74 18.16 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 115.966 -0.561 . . . . 0.0 111.179 178.843 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 61' ' ' GLN . . . . . . . . . . . . . 39.9 mt-30 -64.59 -43.2 94.58 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-N 115.879 -0.6 . . . . 0.0 110.923 -179.104 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 62' ' ' GLY . . . . . 0.435 ' O ' ' HB2' ' A' ' 66' ' ' LEU . . . -57.33 -53.57 43.79 Favored Glycine 0 N--CA 1.446 -0.646 0 CA-C-N 115.649 -0.705 . . . . 0.0 113.119 -176.408 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 63' ' ' LEU . . . . . 0.604 HD12 HD11 ' A' ' 67' ' ' ILE . 4.6 mm? -62.25 -27.26 68.88 Favored 'General case' 0 C--N 1.325 -0.467 0 N-CA-C 111.879 0.325 . . . . 0.0 111.879 -176.627 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 64' ' ' ARG . . . . . 0.565 ' HG3' ' O ' ' A' ' 60' ' ' GLU . 20.7 mtp180 -61.15 -60.03 4.4 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-O 120.686 0.279 . . . . 0.0 110.979 -178.942 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 65' ' ' ARG . . . . . . . . . . . . . 11.4 ttp180 -74.6 -23.51 58.74 Favored 'General case' 0 C--N 1.324 -0.524 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.777 -179.485 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 66' ' ' LEU . . . . . 0.435 ' HB2' ' O ' ' A' ' 62' ' ' GLY . 6.2 tt -66.76 -54.67 20.38 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 115.978 -0.555 . . . . 0.0 110.725 179.526 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 67' ' ' ILE . . . . . 0.604 HD11 HD12 ' A' ' 63' ' ' LEU . 67.2 mt -81.36 -65.28 0.84 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 N-CA-C 112.845 0.683 . . . . 0.0 112.845 -168.981 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . -114.98 -62.01 0.38 Allowed Glycine 0 N--CA 1.443 -0.856 0 C-N-CA 119.408 -1.377 . . . . 0.0 114.411 -171.131 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . 86.94 -22.3 15.16 Favored Glycine 0 N--CA 1.447 -0.574 0 N-CA-C 110.038 -1.225 . . . . 0.0 110.038 -165.286 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 70' ' ' ASN . . . . . . . . . . . . . 8.9 p30 -102.63 164.35 15.81 Favored Pre-proline 0 C--N 1.328 -0.351 0 N-CA-C 109.082 -0.711 . . . . 0.0 109.082 173.1 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 71' ' ' PRO . . . . . . . . . . . . . 50.4 Cg_exo -55.92 99.6 0.07 OUTLIER 'Trans proline' 0 C--N 1.348 0.53 0 C-N-CA 122.723 2.282 . . . . 0.0 113.487 -179.65 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 72' ' ' VAL . . . . . . . . . . . . . 21.4 t -135.91 159.59 39.28 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 N-CA-C 107.343 -1.355 . . . . 0.0 107.343 174.214 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -115.56 121.13 41.69 Favored 'General case' 0 C--N 1.319 -0.741 0 CA-C-N 118.221 0.464 . . . . 0.0 111.576 -179.479 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 74' ' ' PHE . . . . . . . . . . . . . 10.7 p90 -109.45 126.88 53.95 Favored 'General case' 0 C--N 1.328 -0.359 0 N-CA-C 109.422 -0.585 . . . . 0.0 109.422 172.984 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 75' ' ' ARG . . . . . . . . . . . . . 14.5 mmm180 -117.52 116.83 27.89 Favored 'General case' 0 C--N 1.318 -0.786 0 CA-C-N 116.068 -0.515 . . . . 0.0 110.14 -179.418 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 76' ' ' LEU . . . . . . . . . . . . . 35.1 mt -88.86 98.42 11.72 Favored 'General case' 0 C--N 1.319 -0.759 0 CA-C-N 115.613 -0.721 . . . . 0.0 109.235 -179.708 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 77' ' ' GLN . . . . . 0.461 ' HG2' ' H ' ' A' ' 81' ' ' GLN . 2.3 pt20 -80.61 139.54 51.07 Favored Pre-proline 0 C--N 1.32 -0.691 0 C-N-CA 120.88 -0.328 . . . . 0.0 110.195 -175.422 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 78' ' ' PRO . . . . . . . . . . . . . 52.4 Cg_exo -54.58 -20.6 21.69 Favored 'Trans proline' 0 C--N 1.348 0.522 0 C-N-CA 123.501 2.801 . . . . 0.0 113.547 -179.097 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 79' ' ' GLN . . . . . . . . . . . . . 27.6 mm-40 -80.23 0.92 30.5 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 120.881 0.372 . . . . 0.0 111.332 177.935 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 80' ' ' GLY . . . . . 0.532 ' O ' ' HA ' ' A' ' 36' ' ' MET . . . 87.95 44.2 5.47 Favored Glycine 0 N--CA 1.446 -0.677 0 C-N-CA 121.015 -0.612 . . . . 0.0 113.726 172.407 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 81' ' ' GLN . . . . . 0.461 ' H ' ' HG2' ' A' ' 77' ' ' GLN . 79.9 mt-30 -138.08 145.31 41.56 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-N 117.47 0.635 . . . . 0.0 110.573 176.215 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 82' ' ' ILE . . . . . . . . . . . . . 48.0 mt -99.15 104.89 16.6 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.568 0 CA-C-N 115.916 -0.584 . . . . 0.0 109.443 177.453 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 83' ' ' VAL . . . . . . . . . . . . . 21.6 t -93.35 131.42 40.39 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.513 0 CA-C-N 115.978 -0.556 . . . . 0.0 110.213 -177.891 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 84' ' ' LEU . . . . . . . . . . . . . 8.8 mp -111.91 146.44 37.77 Favored 'General case' 0 C--N 1.325 -0.493 0 CA-C-O 121.178 0.513 . . . . 0.0 111.573 -179.153 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 85' ' ' SER . . . . . . . . . . . . . 23.1 m -149.53 146.91 27.62 Favored 'General case' 0 C--N 1.323 -0.566 0 CA-C-N 115.372 -0.831 . . . . 0.0 109.439 175.813 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 86' ' ' ARG . . . . . . . . . . . . . 4.0 tmt_? -85.78 93.16 8.81 Favored 'General case' 0 C--N 1.324 -0.518 0 N-CA-C 109.222 -0.659 . . . . 0.0 109.222 -179.486 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 87' ' ' LEU . . . . . . . . . . . . . 62.4 mt -130.78 138.51 33.18 Favored Pre-proline 0 C--N 1.321 -0.638 0 CA-C-N 115.76 -0.655 . . . . 0.0 109.665 -177.304 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 88' ' ' PRO . . . . . . . . . . . . . 37.4 Cg_endo -67.75 166.67 23.51 Favored 'Trans proline' 0 CA--C 1.531 0.354 0 C-N-CA 122.729 2.286 . . . . 0.0 112.734 -179.217 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 89' ' ' THR . . . . . . . . . . . . . 21.1 m -62.9 123.29 18.11 Favored 'General case' 0 C--O 1.236 0.363 0 CA-C-N 115.789 -0.641 . . . . 0.0 111.297 -178.603 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 90' ' ' ALA . . . . . . . . . . . . . . . -79.63 173.24 12.79 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.063 -0.517 . . . . 0.0 111.201 -179.519 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 91' ' ' ASN . . . . . . . . . . . . . 8.4 t30 -58.21 -30.09 66.2 Favored 'General case' 0 C--N 1.326 -0.418 0 N-CA-C 112.39 0.515 . . . . 0.0 112.39 -174.154 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 92' ' ' GLY . . . . . 0.401 ' HA3' ' N ' ' A' ' 107' ' ' ALA . . . -53.28 -37.33 54.86 Favored Glycine 0 CA--C 1.521 0.459 0 N-CA-C 114.049 0.38 . . . . 0.0 114.049 -177.272 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 93' ' ' ASP . . . . . 0.418 ' CG ' HH22 ' A' ' 64' ' ' ARG . 9.3 m-20 -102.01 18.8 19.79 Favored 'General case' 0 C--N 1.326 -0.413 0 CA-C-N 116.901 0.351 . . . . 0.0 111.154 179.595 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 94' ' ' GLY . . . . . . . . . . . . . . . 89.28 25.76 27.68 Favored Glycine 0 N--CA 1.446 -0.678 0 C-N-CA 120.508 -0.853 . . . . 0.0 112.122 -179.133 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 95' ' ' GLY . . . . . . . . . . . . . . . -96.78 -150.48 26.89 Favored Glycine 0 N--CA 1.448 -0.555 0 C-N-CA 120.786 -0.721 . . . . 0.0 111.948 177.57 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 96' ' ' ALA . . . . . . . . . . . . . . . -91.24 129.32 37.25 Favored 'General case' 0 C--N 1.322 -0.607 0 CA-C-O 120.907 0.384 . . . . 0.0 111.608 -175.834 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 97' ' ' LEU . . . . . . . . . . . . . 4.3 pp -87.35 -18.17 30.7 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 116.083 -0.508 . . . . 0.0 109.891 175.459 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 98' ' ' ALA . . . . . 0.401 ' C ' HD12 ' A' ' 99' ' ' LEU . . . -75.18 0.87 14.89 Favored 'General case' 0 C--N 1.326 -0.455 0 CA-C-O 121.393 0.616 . . . . 0.0 110.257 176.662 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 99' ' ' LEU . . . . . 0.705 ' O ' ' HG ' ' A' ' 102' ' ' LEU . 7.2 mp -129.35 29.95 5.04 Favored 'General case' 0 N--CA 1.45 -0.431 0 CA-C-N 115.345 -0.843 . . . . 0.0 110.096 175.313 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 100' ' ' ASP . . . . . . . . . . . . . 3.1 p-10 -61.91 -11.07 11.24 Favored 'General case' 0 N--CA 1.471 0.594 0 CA-C-O 120.796 0.331 . . . . 0.0 111.575 179.447 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 10.4 m -68.49 -9.32 48.16 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.661 179.961 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 102' ' ' LEU . . . . . 0.705 ' HG ' ' O ' ' A' ' 99' ' ' LEU . 64.9 mt -60.32 -62.51 1.81 Allowed 'General case' 0 C--N 1.333 -0.111 0 CA-C-O 121.158 0.504 . . . . 0.0 110.26 178.158 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 103' ' ' THR . . . . . . . . . . . . . 27.6 m -131.44 -62.24 0.88 Allowed 'General case' 0 C--N 1.321 -0.665 0 CA-C-N 115.929 -0.578 . . . . 0.0 109.763 174.335 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 104' ' ' VAL . . . . . . . . . . . . . 2.5 m -155.41 179.63 0.27 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 CA-C-N 115.024 -0.989 . . . . 0.0 109.501 -179.736 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 105' ' ' LEU . . . . . . . . . . . . . 55.9 tp -65.78 -47.46 75.08 Favored 'General case' 0 C--N 1.324 -0.522 0 CA-C-O 121.203 0.525 . . . . 0.0 109.997 176.571 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 106' ' ' GLY . . . . . . . . . . . . . . . -80.72 -160.75 24.16 Favored Glycine 0 N--CA 1.447 -0.616 0 CA-C-N 115.546 -0.752 . . . . 0.0 112.189 178.557 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 107' ' ' ALA . . . . . 0.401 ' N ' ' HA3' ' A' ' 92' ' ' GLY . . . -86.63 108.47 18.63 Favored 'General case' 0 C--N 1.32 -0.709 0 CA-C-O 120.967 0.413 . . . . 0.0 110.652 -179.624 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 108' ' ' GLY . . . . . . . . . . . . . . . -111.08 -65.08 0.52 Allowed Glycine 0 N--CA 1.448 -0.556 0 N-CA-C 111.267 -0.733 . . . . 0.0 111.267 177.691 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 109' ' ' GLY . . . . . . . . . . . . . . . -117.93 98.94 0.78 Allowed Glycine 0 N--CA 1.442 -0.918 0 N-CA-C 111.134 -0.786 . . . . 0.0 111.134 174.248 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 110' ' ' ASN . . . . . 0.441 ' O ' ' HG2' ' A' ' 64' ' ' ARG . 44.5 t30 -151.75 109.38 3.63 Favored 'General case' 0 C--N 1.324 -0.527 0 N-CA-C 110.053 -0.351 . . . . 0.0 110.053 179.931 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 111' ' ' ASN . . . . . 0.566 HD21 HD12 ' A' ' 67' ' ' ILE . 18.6 m120 -91.38 45.51 1.24 Allowed 'General case' 0 C--N 1.321 -0.661 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.392 -178.462 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 112' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.248 1.023 0 CA-C-O 119.108 -0.472 . . . . 0.0 109.989 177.821 . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 8.8 tt0 . . . . . 0 C--O 1.233 0.208 0 CA-C-O 120.639 0.257 . . . . 0.0 110.548 . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 77.2 mt-30 -81.43 118.0 22.33 Favored 'General case' 0 C--N 1.324 -0.527 0 CA-C-N 116.395 -0.366 . . . . 0.0 110.077 178.016 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 14' ' ' LYS . . . . . 0.457 ' O ' ' HA ' ' A' ' 56' ' ' SER . 14.1 mmmm -109.63 132.73 53.87 Favored 'General case' 0 C--N 1.321 -0.632 0 N-CA-C 109.498 -0.556 . . . . 0.0 109.498 177.166 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 15' ' ' ASN . . . . . 0.426 ' HA ' ' HA ' ' A' ' 56' ' ' SER . 26.4 t-20 -80.35 108.51 14.03 Favored 'General case' 0 C--N 1.319 -0.731 0 CA-C-O 121.061 0.458 . . . . 0.0 110.111 -179.615 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 16' ' ' PHE . . . . . . . . . . . . . 76.9 m-85 -99.7 146.5 26.45 Favored 'General case' 0 C--N 1.322 -0.591 0 CA-C-N 115.785 -0.643 . . . . 0.0 111.064 -177.939 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 8.1 t30 -135.28 89.07 2.47 Favored 'General case' 0 C--N 1.32 -0.716 0 N-CA-C 108.511 -0.922 . . . . 0.0 108.511 178.137 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 18' ' ' ILE . . . . . 0.56 ' HB ' ' HB3' ' A' ' 53' ' ' LEU . 31.2 mm -112.06 106.44 20.77 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.753 0 CA-C-N 115.938 -0.574 . . . . 0.0 109.96 -176.147 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -63.07 143.63 57.61 Favored 'General case' 0 C--N 1.325 -0.481 0 N-CA-C 108.791 -0.818 . . . . 0.0 108.791 173.12 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -66.38 100.08 0.61 Allowed 'General case' 0 N--CA 1.455 -0.22 0 CA-C-O 121.696 0.76 . . . . 0.0 110.443 -174.624 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 21' ' ' GLN . . . . . . . . . . . . . 44.2 mt-30 -107.7 170.11 5.94 Favored Pre-proline 0 C--N 1.318 -0.771 0 CA-C-N 114.579 -1.191 . . . . 0.0 109.981 176.349 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 22' ' ' PRO . . . . . . . . . . . . . 52.7 Cg_exo -56.98 135.71 72.42 Favored 'Trans proline' 0 N--CA 1.461 -0.388 0 C-N-CA 121.839 1.693 . . . . 0.0 109.44 166.006 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -55.59 -25.71 39.91 Favored 'General case' 0 N--CA 1.466 0.329 0 O-C-N 123.429 0.456 . . . . 0.0 112.039 -170.108 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 66.7 mt-30 -66.12 -52.54 47.6 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-O 121.02 0.438 . . . . 0.0 110.269 177.052 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 15.1 m -76.43 -27.29 56.17 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 115.989 -0.55 . . . . 0.0 110.742 -179.004 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -56.54 -55.06 38.58 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.01 -0.541 . . . . 0.0 110.941 178.461 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 27' ' ' MET . . . . . 0.45 ' CB ' ' HB ' ' A' ' 38' ' ' VAL . 23.5 mmt -75.6 -18.94 59.56 Favored 'General case' 0 C--N 1.325 -0.499 0 CA-C-N 115.986 -0.552 . . . . 0.0 110.796 -178.719 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 9.4 tt -65.16 -36.77 85.28 Favored 'General case' 0 C--N 1.318 -0.787 0 N-CA-C 109.276 -0.639 . . . . 0.0 109.276 173.674 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 12.4 mmm180 -85.42 -31.23 22.99 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.566 -179.569 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 12.2 t80 -80.64 -56.83 3.89 Favored 'General case' 0 C--N 1.322 -0.589 0 CA-C-O 121.378 0.608 . . . . 0.0 111.365 178.079 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -72.09 -17.22 62.01 Favored 'General case' 0 C--N 1.321 -0.639 0 CA-C-N 115.902 -0.59 . . . . 0.0 111.872 -170.158 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 10.0 pt-20 -59.95 -28.32 67.54 Favored 'General case' 0 N--CA 1.464 0.256 0 CA-C-O 121.052 0.453 . . . . 0.0 110.499 174.163 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 33' ' ' GLN . . . . . . . . . . . . . 94.9 mt-30 -90.19 -17.94 26.65 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 121.084 0.468 . . . . 0.0 110.514 178.288 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -97.93 -6.81 31.43 Favored 'General case' 0 C--N 1.326 -0.45 0 CA-C-N 115.797 -0.638 . . . . 0.0 111.775 -178.528 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 79.61 31.59 40.28 Favored Glycine 0 C--N 1.329 0.155 0 C-N-CA 121.07 -0.586 . . . . 0.0 112.674 178.215 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 36' ' ' MET . . . . . . . . . . . . . 70.9 mtm -141.82 175.68 9.52 Favored 'General case' 0 C--N 1.324 -0.508 0 CA-C-O 120.738 0.304 . . . . 0.0 110.332 -177.266 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 37' ' ' GLN . . . . . . . . . . . . . 26.2 tt0 -141.73 154.76 45.5 Favored 'General case' 0 C--N 1.323 -0.567 0 N-CA-C 108.893 -0.78 . . . . 0.0 108.893 171.305 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 38' ' ' VAL . . . . . 0.45 ' HB ' ' CB ' ' A' ' 27' ' ' MET . 7.7 p -78.46 132.18 32.9 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.434 0 CA-C-O 120.978 0.418 . . . . 0.0 110.777 179.973 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 39' ' ' PHE . . . . . 0.412 ' HB3' ' HA ' ' A' ' 83' ' ' VAL . 59.2 t80 -110.16 120.24 41.81 Favored 'General case' 0 C--N 1.325 -0.487 0 CA-C-N 115.934 -0.575 . . . . 0.0 109.74 179.264 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 40' ' ' PHE . . . . . . . . . . . . . 19.1 p90 -134.27 117.81 16.86 Favored 'General case' 0 C--N 1.32 -0.681 0 CA-C-N 115.81 -0.632 . . . . 0.0 110.202 -178.551 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 32.9 t70 -121.42 -61.23 1.55 Allowed 'General case' 0 C--N 1.323 -0.57 0 C-N-CA 120.839 -0.345 . . . . 0.0 110.666 179.767 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 50.9 mt-10 -116.22 86.78 2.55 Favored 'General case' 0 C--N 1.322 -0.609 0 CA-C-O 121.212 0.53 . . . . 0.0 110.127 177.421 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 43' ' ' VAL . . . . . . . . . . . . . 15.5 m -147.33 -166.8 0.16 Allowed 'Isoleucine or valine' 0 C--N 1.322 -0.63 0 CA-C-N 115.053 -0.976 . . . . 0.0 108.722 179.235 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 37.7 ttpt -67.24 133.33 49.52 Favored 'General case' 0 C--N 1.322 -0.616 0 CA-C-O 121.501 0.667 . . . . 0.0 110.097 174.705 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 3.3 mm? -71.37 167.47 19.47 Favored 'General case' 0 N--CA 1.442 -0.854 0 CA-C-N 114.796 -1.093 . . . . 0.0 111.065 -175.495 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 26.6 t70 -36.16 136.63 0.29 Allowed 'General case' 0 C--N 1.32 -0.709 0 CA-C-N 114.214 -1.357 . . . . 0.0 112.425 -177.663 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 123.33 -4.51 9.51 Favored Glycine 0 N--CA 1.444 -0.818 0 N-CA-C 110.753 -0.939 . . . . 0.0 110.753 -173.281 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 48' ' ' MET . . . . . . . . . . . . . 14.2 tpt -87.63 121.33 29.93 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-O 120.861 0.362 . . . . 0.0 110.366 178.395 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 76.9 mt-30 -112.58 155.36 24.5 Favored 'General case' 0 C--N 1.321 -0.664 0 CA-C-N 116.077 -0.51 . . . . 0.0 110.275 179.257 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -88.11 168.73 12.54 Favored 'General case' 0 C--N 1.321 -0.641 0 CA-C-N 116.034 -0.53 . . . . 0.0 109.975 178.438 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -79.49 156.83 27.64 Favored 'General case' 0 C--N 1.323 -0.568 0 CA-C-N 116.457 -0.338 . . . . 0.0 110.705 -179.854 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -69.52 89.42 0.52 Allowed 'General case' 0 C--N 1.328 -0.334 0 CA-C-O 121.282 0.563 . . . . 0.0 109.7 175.814 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 53' ' ' LEU . . . . . 0.56 ' HB3' ' HB ' ' A' ' 18' ' ' ILE . 1.0 OUTLIER -76.42 123.69 26.38 Favored 'General case' 0 C--N 1.32 -0.707 0 CA-C-N 115.181 -0.918 . . . . 0.0 110.993 -172.075 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 54' ' ' ASN . . . . . 0.407 HD22 ' HA ' ' A' ' 54' ' ' ASN . 0.9 OUTLIER -150.71 98.42 2.62 Favored 'General case' 0 C--N 1.324 -0.527 0 CA-C-N 115.858 -0.61 . . . . 0.0 109.881 172.668 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . 178.56 161.21 26.02 Favored Glycine 0 N--CA 1.448 -0.534 0 C-N-CA 120.434 -0.889 . . . . 0.0 112.618 -179.069 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 56' ' ' SER . . . . . 0.457 ' HA ' ' O ' ' A' ' 14' ' ' LYS . 38.8 m -94.07 100.81 12.86 Favored 'General case' 0 C--N 1.325 -0.489 0 CA-C-O 121.103 0.478 . . . . 0.0 110.194 176.762 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 57' ' ' MET . . . . . . . . . . . . . 54.6 mtm -134.07 170.9 14.96 Favored 'General case' 0 C--N 1.325 -0.476 0 CA-C-N 115.691 -0.686 . . . . 0.0 111.247 -177.042 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 15.0 m -102.0 -179.55 4.03 Favored 'General case' 0 C--N 1.322 -0.617 0 CA-C-N 115.644 -0.707 . . . . 0.0 109.127 173.291 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 59' ' ' VAL . . . . . 0.597 ' O ' HD23 ' A' ' 63' ' ' LEU . 12.1 p -54.99 -48.16 75.97 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.258 0 CA-C-O 120.777 0.322 . . . . 0.0 111.554 -177.043 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 60' ' ' GLU . . . . . 0.45 ' O ' ' HG3' ' A' ' 64' ' ' ARG . 44.5 mt-10 -62.97 -53.47 53.51 Favored 'General case' 0 C--N 1.316 -0.857 0 CA-C-O 120.835 0.35 . . . . 0.0 111.342 -179.551 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 61' ' ' GLN . . . . . . . . . . . . . 58.8 mt-30 -63.56 -50.2 70.42 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-N 116.051 -0.522 . . . . 0.0 111.576 -176.877 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . -57.23 -51.25 58.65 Favored Glycine 0 N--CA 1.449 -0.446 0 CA-C-N 115.975 -0.557 . . . . 0.0 112.856 -178.365 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 63' ' ' LEU . . . . . 0.597 HD23 ' O ' ' A' ' 59' ' ' VAL . 4.0 mm? -54.67 -43.55 72.53 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-O 120.564 0.221 . . . . 0.0 111.475 -178.725 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 64' ' ' ARG . . . . . 0.45 ' HG3' ' O ' ' A' ' 60' ' ' GLU . 19.9 mtp180 -55.77 -46.85 77.82 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 115.979 -0.555 . . . . 0.0 111.731 -176.971 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 65' ' ' ARG . . . . . . . . . . . . . 76.5 ttt180 -80.8 -28.38 36.29 Favored 'General case' 0 C--N 1.324 -0.525 0 CA-C-O 121.129 0.49 . . . . 0.0 110.596 179.878 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 66' ' ' LEU . . . . . 0.469 HD13 ' HB2' ' A' ' 53' ' ' LEU . 18.1 tp -74.68 -45.64 43.17 Favored 'General case' 0 C--N 1.325 -0.457 0 CA-C-N 115.817 -0.628 . . . . 0.0 111.789 -174.434 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 67' ' ' ILE . . . . . 0.472 HD11 HD12 ' A' ' 63' ' ' LEU . 40.1 mt -78.83 -64.94 0.82 Allowed 'Isoleucine or valine' 0 C--N 1.333 -0.152 0 N-CA-C 112.313 0.486 . . . . 0.0 112.313 -175.128 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 68' ' ' GLY . . . . . 0.448 ' C ' ' H ' ' A' ' 70' ' ' ASN . . . -115.4 -62.29 0.37 Allowed Glycine 0 N--CA 1.444 -0.795 0 C-N-CA 119.421 -1.371 . . . . 0.0 114.548 -171.638 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . 82.91 -23.02 6.15 Favored Glycine 0 N--CA 1.45 -0.37 0 N-CA-C 109.836 -1.305 . . . . 0.0 109.836 -163.226 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 70' ' ' ASN . . . . . 0.448 ' H ' ' C ' ' A' ' 68' ' ' GLY . 2.6 p-10 -102.43 157.73 33.15 Favored Pre-proline 0 C--N 1.328 -0.369 0 C-N-CA 123.732 0.813 . . . . 0.0 109.2 171.57 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 71' ' ' PRO . . . . . . . . . . . . . 23.4 Cg_exo -64.35 98.15 0.27 Allowed 'Trans proline' 0 C--N 1.346 0.424 0 C-N-CA 122.814 2.343 . . . . 0.0 113.724 -174.038 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 72' ' ' VAL . . . . . . . . . . . . . 31.9 t -140.4 149.65 21.5 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 N-CA-C 106.928 -1.508 . . . . 0.0 106.928 171.251 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -104.86 130.69 52.94 Favored 'General case' 0 C--N 1.321 -0.637 0 CA-C-N 118.698 0.681 . . . . 0.0 111.98 -170.497 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 74' ' ' PHE . . . . . . . . . . . . . 11.7 p90 -113.92 126.17 54.86 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.159 -0.473 . . . . 0.0 109.993 176.528 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 75' ' ' ARG . . . . . . . . . . . . . 79.8 ttt180 -100.45 119.26 38.2 Favored 'General case' 0 C--N 1.322 -0.594 0 CA-C-N 116.311 -0.404 . . . . 0.0 110.239 178.615 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 76' ' ' LEU . . . . . . . . . . . . . 84.3 mt -87.78 118.78 27.53 Favored 'General case' 0 C--N 1.322 -0.601 0 CA-C-N 116.012 -0.54 . . . . 0.0 111.161 -177.885 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 77' ' ' GLN . . . . . . . . . . . . . 38.9 mt-30 -116.43 98.67 51.91 Favored Pre-proline 0 C--N 1.318 -0.777 0 N-CA-C 108.451 -0.944 . . . . 0.0 108.451 172.041 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 78' ' ' PRO . . . . . . . . . . . . . 54.5 Cg_exo -52.29 -33.26 54.69 Favored 'Trans proline' 0 C--N 1.345 0.367 0 C-N-CA 123.327 2.685 . . . . 0.0 113.376 -174.07 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 79' ' ' GLN . . . . . . . . . . . . . 45.2 mt-30 -106.2 12.9 29.6 Favored 'General case' 0 C--N 1.324 -0.526 0 CA-C-N 116.541 -0.3 . . . . 0.0 110.846 -177.713 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . -140.08 -110.57 0.88 Allowed Glycine 0 N--CA 1.442 -0.915 0 C-N-CA 120.288 -0.958 . . . . 0.0 113.076 -178.126 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 81' ' ' GLN . . . . . . . . . . . . . 48.7 mt-30 -138.9 158.63 43.85 Favored 'General case' 0 C--N 1.322 -0.627 0 CA-C-O 121.226 0.536 . . . . 0.0 111.463 -172.493 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 82' ' ' ILE . . . . . . . . . . . . . 54.8 mt -90.12 99.91 10.18 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.562 0 CA-C-N 115.432 -0.803 . . . . 0.0 109.174 175.992 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 83' ' ' VAL . . . . . 0.412 ' HA ' ' HB3' ' A' ' 39' ' ' PHE . 93.4 t -85.06 116.63 28.86 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.605 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.738 -176.855 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 84' ' ' LEU . . . . . . . . . . . . . 21.4 tp -89.6 130.02 35.97 Favored 'General case' 0 C--N 1.323 -0.55 0 N-CA-C 109.621 -0.511 . . . . 0.0 109.621 176.315 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 85' ' ' SER . . . . . . . . . . . . . 6.7 p -141.06 154.12 45.81 Favored 'General case' 0 C--N 1.321 -0.671 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.558 -177.879 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 86' ' ' ARG . . . . . . . . . . . . . 1.4 tmm_? -95.05 101.05 12.79 Favored 'General case' 0 C--N 1.324 -0.534 0 N-CA-C 109.287 -0.634 . . . . 0.0 109.287 179.872 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 87' ' ' LEU . . . . . . . . . . . . . 11.0 mp . . . . . 0 C--N 1.318 -0.782 0 CA-C-N 115.891 -0.595 . . . . 0.0 109.474 175.532 . . . . . . . . 0 0 . 1 . 002 nuclear nobuild core ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 13.9 pt20 . . . . . 0 N--CA 1.452 -0.342 0 N-CA-C 109.985 -0.376 . . . . 0.0 109.985 . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild core ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 48.5 mt-30 -125.65 141.08 52.21 Favored 'General case' 0 C--N 1.319 -0.75 0 CA-C-N 116.353 -0.385 . . . . 0.0 110.646 -177.577 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 14' ' ' LYS . . . . . 0.459 ' HB2' ' CZ ' ' A' ' 16' ' ' PHE . 35.4 mmtp -123.3 159.21 29.28 Favored 'General case' 0 C--N 1.322 -0.622 0 CA-C-N 115.823 -0.626 . . . . 0.0 110.011 179.23 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 15' ' ' ASN . . . . . . . . . . . . . 48.6 t-20 -89.82 101.87 14.57 Favored 'General case' 0 C--N 1.321 -0.642 0 CA-C-N 115.975 -0.557 . . . . 0.0 109.729 -179.73 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 16' ' ' PHE . . . . . 0.459 ' CZ ' ' HB2' ' A' ' 14' ' ' LYS . 47.4 m-85 -99.54 131.27 45.65 Favored 'General case' 0 C--N 1.324 -0.527 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.471 -177.452 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 61.1 t30 -139.37 89.89 2.37 Favored 'General case' 0 C--N 1.32 -0.717 0 CA-C-N 115.988 -0.551 . . . . 0.0 109.598 178.348 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 18' ' ' ILE . . . . . 0.495 ' HB ' ' HB3' ' A' ' 53' ' ' LEU . 8.9 mm -112.71 122.4 66.81 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.657 0 CA-C-N 116.076 -0.511 . . . . 0.0 110.606 -174.321 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -79.39 146.44 32.83 Favored 'General case' 0 C--N 1.323 -0.553 0 N-CA-C 108.016 -1.105 . . . . 0.0 108.016 169.138 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -64.76 102.03 0.54 Allowed 'General case' 0 C--N 1.33 -0.242 0 CA-C-O 121.543 0.687 . . . . 0.0 110.91 -173.643 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 21' ' ' GLN . . . . . . . . . . . . . 35.2 mt-30 -106.84 169.87 6.33 Favored Pre-proline 0 C--N 1.319 -0.747 0 CA-C-N 114.635 -1.166 . . . . 0.0 109.729 176.412 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 22' ' ' PRO . . . . . . . . . . . . . 41.5 Cg_exo -57.26 136.52 76.83 Favored 'Trans proline' 0 N--CA 1.462 -0.366 0 C-N-CA 121.696 1.598 . . . . 0.0 110.001 168.202 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -51.89 -42.86 63.02 Favored 'General case' 0 C--N 1.328 -0.352 0 N-CA-C 112.598 0.592 . . . . 0.0 112.598 -167.248 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 24' ' ' GLN . . . . . 0.461 ' HA ' HG21 ' A' ' 38' ' ' VAL . 97.8 mt-30 -60.13 -42.16 94.19 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.934 0.397 . . . . 0.0 111.124 179.448 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 25' ' ' SER . . . . . 0.48 ' O ' ' HG2' ' A' ' 29' ' ' ARG . 38.0 t -79.47 -29.24 41.64 Favored 'General case' 0 C--N 1.325 -0.475 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.712 -178.704 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -60.29 -54.57 44.13 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.003 -179.412 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 27' ' ' MET . . . . . 0.584 ' HB2' ' CG2' ' A' ' 38' ' ' VAL . 63.3 mtt -67.31 -30.71 70.63 Favored 'General case' 0 C--O 1.215 -0.722 0 CA-C-N 116.071 -0.513 . . . . 0.0 110.475 179.335 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 53.7 tp -58.2 -30.45 66.47 Favored 'General case' 0 C--N 1.321 -0.641 0 CA-C-O 120.953 0.406 . . . . 0.0 110.486 178.053 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 29' ' ' ARG . . . . . 0.48 ' HG2' ' O ' ' A' ' 25' ' ' SER . 26.4 mmt180 -76.6 -51.56 11.38 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-O 120.914 0.388 . . . . 0.0 111.117 179.286 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 0.4 OUTLIER -80.08 -50.24 10.61 Favored 'General case' 0 C--N 1.326 -0.449 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.813 -176.275 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 31' ' ' ALA . . . . . 0.421 ' HB1' ' HB2' ' A' ' 36' ' ' MET . . . -67.56 -29.9 69.4 Favored 'General case' 0 C--N 1.322 -0.622 0 CA-C-N 116.2 -0.454 . . . . 0.0 111.778 -171.503 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 16.2 mm-40 -60.82 -29.42 69.47 Favored 'General case' 0 N--CA 1.466 0.344 0 C-N-CA 120.426 -0.51 . . . . 0.0 111.314 176.773 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 33' ' ' GLN . . . . . . . . . . . . . 28.2 mt-30 -70.31 -30.33 67.3 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-O 121.049 0.452 . . . . 0.0 110.344 176.187 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -94.57 -5.63 45.45 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 115.977 -0.556 . . . . 0.0 111.27 180.0 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 84.67 38.17 9.85 Favored Glycine 0 N--CA 1.45 -0.379 0 C-N-CA 121.126 -0.559 . . . . 0.0 112.864 178.766 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 36' ' ' MET . . . . . 0.421 ' HB2' ' HB1' ' A' ' 31' ' ' ALA . 73.9 mtm -136.74 163.56 30.32 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-N 116.966 0.383 . . . . 0.0 110.894 -179.986 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 37' ' ' GLN . . . . . . . . . . . . . 41.9 mt-30 -146.43 161.8 39.62 Favored 'General case' 0 C--N 1.326 -0.428 0 CA-C-N 116.06 -0.518 . . . . 0.0 110.655 179.566 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 38' ' ' VAL . . . . . 0.584 ' CG2' ' HB2' ' A' ' 27' ' ' MET . 17.7 t -77.55 134.42 28.52 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.424 0 CA-C-N 115.688 -0.687 . . . . 0.0 110.224 -179.026 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 39' ' ' PHE . . . . . . . . . . . . . 70.1 t80 -136.09 118.16 15.4 Favored 'General case' 0 C--N 1.323 -0.548 0 CA-C-O 120.932 0.396 . . . . 0.0 111.148 -178.788 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 40' ' ' PHE . . . . . . . . . . . . . 59.7 m-85 -130.15 146.3 51.78 Favored 'General case' 0 C--N 1.321 -0.658 0 CA-C-N 115.763 -0.653 . . . . 0.0 109.768 173.305 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 6.8 p-10 -93.49 -162.01 0.9 Allowed 'General case' 0 C--N 1.323 -0.584 0 N-CA-C 109.076 -0.712 . . . . 0.0 109.076 174.597 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 31.5 mm-40 -68.2 89.19 0.31 Allowed 'General case' 0 C--N 1.324 -0.52 0 CA-C-O 121.33 0.586 . . . . 0.0 111.21 -179.634 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 43' ' ' VAL . . . . . . . . . . . . . 36.0 m -128.44 161.38 37.23 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.528 0 CA-C-N 115.552 -0.749 . . . . 0.0 110.178 179.491 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 29.3 ttpp -98.36 89.59 4.51 Favored 'General case' 0 C--N 1.324 -0.532 0 CA-C-O 121.073 0.463 . . . . 0.0 110.208 -179.8 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 58.0 tp -144.56 114.28 7.23 Favored 'General case' 0 C--N 1.325 -0.493 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.297 -178.337 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 36.1 m-20 -130.44 151.9 50.42 Favored 'General case' 0 C--N 1.325 -0.466 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.314 -178.485 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 70.51 22.84 77.9 Favored Glycine 0 N--CA 1.452 -0.29 0 C-N-CA 120.972 -0.632 . . . . 0.0 113.319 174.085 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 48' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -85.25 123.05 30.3 Favored 'General case' 0 C--N 1.324 -0.543 0 CA-C-O 121.144 0.497 . . . . 0.0 110.546 179.756 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 20.6 pt20 -127.63 168.6 14.8 Favored 'General case' 0 C--N 1.325 -0.477 0 CA-C-N 116.011 -0.54 . . . . 0.0 110.219 -179.867 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -88.39 156.42 19.15 Favored 'General case' 0 C--N 1.321 -0.635 0 CA-C-N 116.015 -0.539 . . . . 0.0 110.807 -179.325 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -88.68 173.49 8.57 Favored 'General case' 0 C--N 1.323 -0.574 0 CA-C-N 115.829 -0.623 . . . . 0.0 110.604 179.637 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -65.92 120.67 13.51 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.945 179.621 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 53' ' ' LEU . . . . . 0.495 ' HB3' ' HB ' ' A' ' 18' ' ' ILE . 1.2 tm? -130.06 111.6 12.64 Favored 'General case' 0 C--N 1.326 -0.444 0 CA-C-N 116.317 -0.402 . . . . 0.0 110.626 -174.572 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 54' ' ' ASN . . . . . . . . . . . . . 27.6 t-20 -151.53 102.07 2.85 Favored 'General case' 0 C--N 1.324 -0.504 0 CA-C-N 116.11 -0.496 . . . . 0.0 109.895 174.204 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . 179.02 165.81 33.95 Favored Glycine 0 N--CA 1.449 -0.493 0 C-N-CA 120.626 -0.797 . . . . 0.0 112.45 -179.111 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 56' ' ' SER . . . . . 0.456 ' HA ' ' O ' ' A' ' 14' ' ' LYS . 10.1 p -107.13 116.91 32.75 Favored 'General case' 0 C--N 1.324 -0.523 0 CA-C-O 120.962 0.411 . . . . 0.0 110.043 176.729 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 57' ' ' MET . . . . . . . . . . . . . 11.0 ptt? -164.96 -173.12 2.81 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-N 116.058 -0.519 . . . . 0.0 110.866 -173.344 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 18.9 m -90.46 172.17 8.91 Favored 'General case' 0 C--N 1.325 -0.473 0 CA-C-N 116.636 -0.256 . . . . 0.0 111.25 -177.022 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 59' ' ' VAL . . . . . 0.477 ' O ' HD23 ' A' ' 63' ' ' LEU . 24.5 t -54.48 -50.47 57.98 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.265 0 CA-C-O 120.675 0.274 . . . . 0.0 110.602 178.96 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 60' ' ' GLU . . . . . 0.448 ' O ' ' HG3' ' A' ' 64' ' ' ARG . 53.0 mt-10 -52.99 -52.67 57.56 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-N 115.931 -0.577 . . . . 0.0 110.964 -179.725 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 61' ' ' GLN . . . . . 0.414 ' HA ' ' HD2' ' A' ' 64' ' ' ARG . 17.7 mt-30 -65.3 -37.05 85.96 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.32 -0.4 . . . . 0.0 111.276 -178.465 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . -62.33 -54.67 32.65 Favored Glycine 0 N--CA 1.446 -0.646 0 C-N-CA 121.199 -0.524 . . . . 0.0 112.43 -177.822 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 63' ' ' LEU . . . . . 0.495 HD12 HD11 ' A' ' 67' ' ' ILE . 3.9 mm? -64.14 -25.8 68.25 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-O 120.837 0.351 . . . . 0.0 110.825 -178.523 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 64' ' ' ARG . . . . . 0.448 ' HG3' ' O ' ' A' ' 60' ' ' GLU . 78.2 mtt180 -62.62 -51.21 68.18 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 116.222 -0.445 . . . . 0.0 111.424 178.966 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 65' ' ' ARG . . . . . . . . . . . . . 71.2 mtp180 -80.29 -16.06 55.52 Favored 'General case' 0 C--N 1.323 -0.56 0 CA-C-N 116.229 -0.442 . . . . 0.0 111.436 -179.792 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 48.4 tp -89.95 -39.46 12.98 Favored 'General case' 0 C--N 1.323 -0.565 0 N-CA-C 112.659 0.614 . . . . 0.0 112.659 -172.111 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 67' ' ' ILE . . . . . 0.495 HD11 HD12 ' A' ' 63' ' ' LEU . 65.5 mt -88.69 -65.44 0.96 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 N-CA-C 113.17 0.804 . . . . 0.0 113.17 -170.524 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . -114.86 -62.15 0.39 Allowed Glycine 0 N--CA 1.447 -0.601 0 C-N-CA 119.519 -1.324 . . . . 0.0 114.691 -169.789 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . 85.6 -21.95 12.55 Favored Glycine 0 N--CA 1.451 -0.348 0 N-CA-C 110.388 -1.085 . . . . 0.0 110.388 -166.405 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 70' ' ' ASN . . . . . 0.42 ' HB2' ' HD2' ' A' ' 71' ' ' PRO . 7.2 p30 -102.66 158.23 32.17 Favored Pre-proline 0 C--N 1.327 -0.398 0 N-CA-C 108.769 -0.826 . . . . 0.0 108.769 170.612 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 71' ' ' PRO . . . . . 0.42 ' HD2' ' HB2' ' A' ' 70' ' ' ASN . 19.7 Cg_endo -58.44 99.29 0.1 Allowed 'Trans proline' 0 C--N 1.349 0.559 0 C-N-CA 122.843 2.362 . . . . 0.0 113.461 -177.607 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 72' ' ' VAL . . . . . 0.457 HG23 ' HG2' ' A' ' 86' ' ' ARG . 9.5 p -150.91 135.81 10.01 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 CA-C-N 115.46 -0.791 . . . . 0.0 109.274 174.775 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -97.76 136.11 38.57 Favored 'General case' 0 C--N 1.322 -0.602 0 CA-C-O 120.808 0.337 . . . . 0.0 111.782 -168.573 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 74' ' ' PHE . . . . . . . . . . . . . 10.0 p90 -107.72 119.55 39.75 Favored 'General case' 0 C--N 1.324 -0.508 0 CA-C-N 115.944 -0.571 . . . . 0.0 109.913 177.382 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 75' ' ' ARG . . . . . . . . . . . . . 79.9 mtm180 -101.7 110.38 22.36 Favored 'General case' 0 C--N 1.32 -0.705 0 CA-C-N 116.017 -0.538 . . . . 0.0 110.651 -178.185 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 76' ' ' LEU . . . . . . . . . . . . . 81.6 mt -85.34 100.37 11.77 Favored 'General case' 0 C--N 1.326 -0.449 0 CA-C-N 115.65 -0.705 . . . . 0.0 110.146 -179.503 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 77' ' ' GLN . . . . . . . . . . . . . 84.8 mm-40 -89.64 140.88 28.18 Favored Pre-proline 0 C--N 1.322 -0.607 0 CA-C-N 115.934 -0.575 . . . . 0.0 110.808 -177.518 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 78' ' ' PRO . . . . . . . . . . . . . 49.4 Cg_endo -68.65 -0.51 6.12 Favored 'Trans proline' 0 C--N 1.347 0.456 0 C-N-CA 123.162 2.575 . . . . 0.0 112.557 -178.389 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 79' ' ' GLN . . . . . . . . . . . . . 14.1 mm100 -81.62 -2.61 50.82 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.061 -0.518 . . . . 0.0 110.128 176.383 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . 85.08 36.88 10.51 Favored Glycine 0 N--CA 1.445 -0.705 0 N-CA-C 110.994 -0.842 . . . . 0.0 110.994 -175.175 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 81' ' ' GLN . . . . . . . . . . . . . 78.2 mt-30 -128.72 129.51 45.85 Favored 'General case' 0 C--N 1.325 -0.457 0 CA-C-O 120.677 0.275 . . . . 0.0 111.2 -175.364 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 82' ' ' ILE . . . . . . . . . . . . . 45.8 mt -102.23 99.55 8.62 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.579 0 N-CA-C 108.746 -0.835 . . . . 0.0 108.746 170.963 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 83' ' ' VAL . . . . . . . . . . . . . 41.0 t -99.24 120.61 48.83 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.592 0 CA-C-N 116.024 -0.535 . . . . 0.0 110.387 -176.435 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 84' ' ' LEU . . . . . . . . . . . . . 19.8 tp -89.82 146.35 24.51 Favored 'General case' 0 C--N 1.322 -0.61 0 CA-C-N 116.321 -0.4 . . . . 0.0 110.226 179.915 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 85' ' ' SER . . . . . . . . . . . . . 3.6 p -156.27 128.7 7.64 Favored 'General case' 0 C--N 1.322 -0.592 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.63 -179.571 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 86' ' ' ARG . . . . . 0.457 ' HG2' HG23 ' A' ' 72' ' ' VAL . 80.0 mtt-85 -82.53 77.44 9.3 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-O 121.159 0.504 . . . . 0.0 111.436 -178.153 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 87' ' ' LEU . . . . . . . . . . . . . 11.2 mp . . . . . 0 C--N 1.323 -0.548 0 CA-C-N 115.636 -0.711 . . . . 0.0 109.783 174.168 . . . . . . . . 0 0 . 1 . 003 nuclear nobuild core ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 52.1 tt0 . . . . . 0 N--CA 1.452 -0.342 0 N-CA-C 110.065 -0.346 . . . . 0.0 110.065 . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild core ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 15.7 mm100 -113.82 99.17 7.49 Favored 'General case' 0 C--N 1.323 -0.544 0 CA-C-O 120.864 0.364 . . . . 0.0 110.2 179.393 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 14' ' ' LYS . . . . . 0.58 ' O ' ' HA ' ' A' ' 56' ' ' SER . 33.8 mmtp -110.47 147.15 34.67 Favored 'General case' 0 C--N 1.322 -0.619 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.612 -178.997 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 15' ' ' ASN . . . . . . . . . . . . . 52.6 t30 -84.33 109.64 17.98 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-N 115.819 -0.628 . . . . 0.0 110.052 -178.377 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 16' ' ' PHE . . . . . 0.553 ' O ' ' HA ' ' A' ' 54' ' ' ASN . 23.9 m-85 -99.73 130.14 45.92 Favored 'General case' 0 C--N 1.32 -0.699 0 CA-C-N 116.405 -0.361 . . . . 0.0 110.248 -178.249 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 13.5 m120 -124.26 89.93 3.17 Favored 'General case' 0 C--N 1.324 -0.537 0 N-CA-C 109.228 -0.656 . . . . 0.0 109.228 -179.928 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 18' ' ' ILE . . . . . 0.484 HG21 HD11 ' A' ' 66' ' ' LEU . 12.2 mm -118.58 113.36 41.56 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.6 0 CA-C-N 116.321 -0.399 . . . . 0.0 111.188 -174.634 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -78.31 161.77 26.98 Favored 'General case' 0 C--N 1.324 -0.528 0 N-CA-C 108.765 -0.828 . . . . 0.0 108.765 170.407 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -68.12 101.66 1.19 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 121.48 0.657 . . . . 0.0 110.465 -177.253 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 21' ' ' GLN . . . . . . . . . . . . . 71.2 mt-30 -106.92 172.51 3.79 Favored Pre-proline 0 C--N 1.32 -0.708 0 CA-C-N 114.851 -1.068 . . . . 0.0 110.092 176.237 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 22' ' ' PRO . . . . . . . . . . . . . 22.6 Cg_exo -66.17 143.71 72.36 Favored 'Trans proline' 0 N--CA 1.459 -0.516 0 C-N-CA 121.83 1.686 . . . . 0.0 109.808 164.459 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -49.19 -45.32 44.05 Favored 'General case' 0 C--N 1.327 -0.406 0 N-CA-C 112.657 0.614 . . . . 0.0 112.657 -169.708 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -60.36 -48.45 81.7 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-O 120.737 0.303 . . . . 0.0 110.53 -178.38 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 37.7 t -66.78 -33.58 75.93 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.761 178.953 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -54.96 -58.81 6.13 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 121.065 0.46 . . . . 0.0 111.386 -177.539 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 27' ' ' MET . . . . . 0.575 ' HB2' ' CG2' ' A' ' 38' ' ' VAL . 52.1 mtt -72.8 -25.14 61.04 Favored 'General case' 0 C--N 1.324 -0.504 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.214 179.835 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 28' ' ' LEU . . . . . 0.62 ' O ' ' HB3' ' A' ' 32' ' ' GLU . 41.5 tp -64.37 -29.03 70.11 Favored 'General case' 0 C--N 1.321 -0.64 0 N-CA-C 110.072 -0.344 . . . . 0.0 110.072 177.585 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 29' ' ' ARG . . . . . 0.488 ' HD3' ' OE2' ' A' ' 32' ' ' GLU . 14.6 mmt180 -90.68 -39.37 12.49 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.284 -0.416 . . . . 0.0 111.499 178.744 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 30' ' ' PHE . . . . . 0.451 ' HE1' ' CE1' ' A' ' 16' ' ' PHE . 7.2 t80 -69.28 -51.54 36.34 Favored 'General case' 0 C--N 1.322 -0.613 0 CA-C-O 121.452 0.644 . . . . 0.0 110.958 177.475 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 31' ' ' ALA . . . . . 0.43 ' HB1' ' HB2' ' A' ' 36' ' ' MET . . . -82.98 -16.98 45.1 Favored 'General case' 0 C--N 1.318 -0.792 0 CA-C-N 115.593 -0.731 . . . . 0.0 112.056 -170.623 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 32' ' ' GLU . . . . . 0.62 ' HB3' ' O ' ' A' ' 28' ' ' LEU . 11.0 pt-20 -58.91 -33.41 70.53 Favored 'General case' 0 N--CA 1.467 0.4 0 C-N-CA 120.447 -0.501 . . . . 0.0 110.51 176.971 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 33' ' ' GLN . . . . . 0.443 ' HG3' ' HG3' ' A' ' 32' ' ' GLU . 90.1 mt-30 -90.29 -24.87 20.78 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.832 -179.707 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -82.21 -27.65 32.42 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.301 -0.409 . . . . 0.0 111.474 179.384 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 101.49 36.85 3.67 Favored Glycine 0 N--CA 1.45 -0.395 0 C-N-CA 121.155 -0.545 . . . . 0.0 112.587 179.716 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 36' ' ' MET . . . . . 0.43 ' HB2' ' HB1' ' A' ' 31' ' ' ALA . 70.2 mtm -142.4 174.91 10.2 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-O 120.594 0.235 . . . . 0.0 110.666 -178.93 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 37' ' ' GLN . . . . . . . . . . . . . 9.0 tt0 -155.88 162.21 40.46 Favored 'General case' 0 C--N 1.329 -0.309 0 N-CA-C 109.325 -0.62 . . . . 0.0 109.325 178.312 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 38' ' ' VAL . . . . . 0.575 ' CG2' ' HB2' ' A' ' 27' ' ' MET . 11.0 t -76.26 116.34 19.19 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-O 120.714 0.292 . . . . 0.0 110.985 -174.658 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 39' ' ' PHE . . . . . . . . . . . . . 81.0 t80 -104.03 98.66 8.45 Favored 'General case' 0 C--N 1.324 -0.53 0 N-CA-C 108.624 -0.88 . . . . 0.0 108.624 173.577 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 40' ' ' PHE . . . . . . . . . . . . . 13.9 p90 -125.79 140.84 52.34 Favored 'General case' 0 C--N 1.32 -0.683 0 CA-C-N 116.007 -0.542 . . . . 0.0 111.18 -171.726 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 21.2 m-20 -114.98 -85.72 0.61 Allowed 'General case' 0 C--N 1.323 -0.586 0 CA-C-N 115.589 -0.732 . . . . 0.0 110.163 178.194 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 77.5 mm-40 -101.8 89.95 3.84 Favored 'General case' 0 C--N 1.323 -0.57 0 CA-C-O 121.084 0.469 . . . . 0.0 110.632 178.004 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 43' ' ' VAL . . . . . . . . . . . . . 30.2 m -132.84 -176.35 1.7 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.513 0 CA-C-N 115.736 -0.665 . . . . 0.0 110.103 179.218 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 44' ' ' LYS . . . . . 0.402 ' HB2' ' HE3' ' A' ' 44' ' ' LYS . 34.4 ttmt -73.11 148.1 44.28 Favored 'General case' 0 C--N 1.321 -0.633 0 CA-C-O 121.099 0.476 . . . . 0.0 110.03 177.203 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 45' ' ' LEU . . . . . 0.569 HD22 ' H ' ' A' ' 45' ' ' LEU . 2.7 mm? -60.46 138.13 58.05 Favored 'General case' 0 C--N 1.325 -0.458 0 CA-C-N 115.3 -0.864 . . . . 0.0 110.558 -178.181 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 24.3 t70 -55.88 145.94 23.35 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-N 115.615 -0.721 . . . . 0.0 110.587 179.195 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 123.64 -17.04 7.84 Favored Glycine 0 N--CA 1.444 -0.827 0 N-CA-C 109.736 -1.346 . . . . 0.0 109.736 -168.138 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 48' ' ' MET . . . . . . . . . . . . . 12.9 tpt -56.71 122.03 11.16 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 114.622 -0.789 . . . . 0.0 109.724 170.857 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 28.5 mt-30 -67.7 131.46 45.62 Favored 'General case' 0 C--N 1.323 -0.56 0 CA-C-N 116.283 -0.417 . . . . 0.0 111.294 -178.197 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -82.96 143.89 30.36 Favored 'General case' 0 C--N 1.317 -0.814 0 N-CA-C 109.119 -0.697 . . . . 0.0 109.119 171.855 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -69.43 144.15 53.4 Favored 'General case' 0 C--N 1.322 -0.628 0 CA-C-N 116.402 -0.363 . . . . 0.0 110.499 -179.081 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -66.8 89.96 0.17 Allowed 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.613 178.755 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 50.0 tp -95.12 118.4 31.86 Favored 'General case' 0 C--N 1.323 -0.555 0 CA-C-N 115.573 -0.74 . . . . 0.0 110.817 -176.844 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 54' ' ' ASN . . . . . 0.553 ' HA ' ' O ' ' A' ' 16' ' ' PHE . 6.6 t30 -143.56 98.9 3.33 Favored 'General case' 0 C--N 1.322 -0.622 0 CA-C-N 115.964 -0.562 . . . . 0.0 109.617 176.452 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . 177.98 168.32 37.31 Favored Glycine 0 N--CA 1.447 -0.599 0 C-N-CA 120.846 -0.693 . . . . 0.0 112.054 -179.754 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 56' ' ' SER . . . . . 0.58 ' HA ' ' O ' ' A' ' 14' ' ' LYS . 44.2 m -101.12 112.89 25.48 Favored 'General case' 0 C--N 1.324 -0.543 0 CA-C-O 120.78 0.324 . . . . 0.0 110.559 177.928 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 57' ' ' MET . . . . . . . . . . . . . 21.8 ptp -154.82 -174.51 5.01 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.076 -0.511 . . . . 0.0 110.445 -178.926 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 58' ' ' SER . . . . . 0.511 ' HB2' ' OE1' ' A' ' 61' ' ' GLN . 16.4 m -87.79 176.67 7.28 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 116.703 -0.226 . . . . 0.0 111.493 -179.06 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 59' ' ' VAL . . . . . . . . . . . . . 46.8 t -64.37 -44.93 97.22 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 N-CA-C 110.195 -0.298 . . . . 0.0 110.195 -179.927 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 60' ' ' GLU . . . . . 0.454 ' O ' ' HG3' ' A' ' 64' ' ' ARG . 59.2 mm-40 -52.12 -62.75 1.44 Allowed 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 115.942 -0.572 . . . . 0.0 110.934 178.299 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 61' ' ' GLN . . . . . 0.511 ' OE1' ' HB2' ' A' ' 58' ' ' SER . 22.7 mp0 -55.76 -43.17 76.44 Favored 'General case' 0 C--O 1.234 0.286 0 CA-C-N 115.799 -0.637 . . . . 0.0 111.152 -178.623 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . -58.12 -58.31 15.24 Favored Glycine 0 N--CA 1.445 -0.745 0 C-N-CA 121.053 -0.594 . . . . 0.0 112.143 -179.197 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 63' ' ' LEU . . . . . 0.511 ' O ' HG13 ' A' ' 67' ' ' ILE . 4.5 mm? -57.85 -45.7 85.87 Favored 'General case' 0 C--N 1.327 -0.388 0 C-N-CA 122.329 0.252 . . . . 0.0 111.642 -176.509 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 64' ' ' ARG . . . . . 0.454 ' HG3' ' O ' ' A' ' 60' ' ' GLU . 94.8 mtt180 -52.28 -52.57 52.0 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-O 120.796 0.331 . . . . 0.0 111.346 -179.678 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 65' ' ' ARG . . . . . . . . . . . . . 89.4 mtt180 -79.67 -29.73 40.95 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 115.98 -0.555 . . . . 0.0 111.253 -175.518 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 66' ' ' LEU . . . . . 0.484 HD11 HG21 ' A' ' 18' ' ' ILE . 45.7 tp -69.61 -48.09 61.22 Favored 'General case' 0 C--N 1.323 -0.546 0 CA-C-N 115.633 -0.712 . . . . 0.0 112.067 -174.806 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 67' ' ' ILE . . . . . 0.511 HG13 ' O ' ' A' ' 63' ' ' LEU . 11.6 mt -75.7 -66.06 0.64 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.436 0 C-N-CA 120.429 -0.509 . . . . 0.0 110.884 -173.352 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . -116.83 -50.9 0.39 Allowed Glycine 0 N--CA 1.45 -0.403 0 C-N-CA 120.9 -0.667 . . . . 0.0 113.196 -178.634 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . 104.48 -0.7 43.01 Favored Glycine 0 N--CA 1.447 -0.627 0 N-CA-C 110.644 -0.982 . . . . 0.0 110.644 -167.02 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 70' ' ' ASN . . . . . . . . . . . . . 83.2 m-20 -100.88 159.34 29.8 Favored Pre-proline 0 C--N 1.328 -0.353 0 CA-C-N 115.361 -0.419 . . . . 0.0 109.895 177.601 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 71' ' ' PRO . . . . . . . . . . . . . 24.9 Cg_exo -64.97 124.2 12.73 Favored 'Trans proline' 0 C--N 1.345 0.366 0 C-N-CA 122.58 2.187 . . . . 0.0 111.13 171.884 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 72' ' ' VAL . . . . . . . . . . . . . 1.0 OUTLIER -150.75 162.56 3.34 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.524 0 N-CA-C 109.425 -0.583 . . . . 0.0 109.425 -176.152 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -108.41 118.32 36.47 Favored 'General case' 0 N--CA 1.444 -0.761 0 C-N-CA 120.645 -0.422 . . . . 0.0 109.869 -177.897 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 74' ' ' PHE . . . . . 0.411 ' HB3' ' HG ' ' A' ' 84' ' ' LEU . 38.6 p90 -133.24 118.69 18.89 Favored 'General case' 0 C--N 1.317 -0.835 0 CA-C-O 121.494 0.664 . . . . 0.0 109.628 179.732 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 75' ' ' ARG . . . . . . . . . . . . . 75.0 ttt180 -97.09 115.55 27.7 Favored 'General case' 0 C--N 1.319 -0.748 0 CA-C-N 115.625 -0.716 . . . . 0.0 110.35 -175.622 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 76' ' ' LEU . . . . . . . . . . . . . 2.5 mm? -82.87 99.83 9.98 Favored 'General case' 0 C--N 1.324 -0.533 0 N-CA-C 109.048 -0.723 . . . . 0.0 109.048 177.945 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 77' ' ' GLN . . . . . 0.435 ' HA ' ' HD3' ' A' ' 78' ' ' PRO . 0.0 OUTLIER -88.18 132.36 39.84 Favored Pre-proline 0 N--CA 1.443 -0.809 0 CA-C-N 116.348 -0.387 . . . . 0.0 110.178 -177.623 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 78' ' ' PRO . . . . . 0.435 ' HD3' ' HA ' ' A' ' 77' ' ' GLN . 50.8 Cg_exo -56.51 -17.32 21.48 Favored 'Trans proline' 0 C--N 1.353 0.767 0 C-N-CA 123.754 2.969 . . . . 0.0 114.373 -173.71 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 79' ' ' GLN . . . . . . . . . . . . . 42.7 mt-30 -82.77 15.53 2.62 Favored 'General case' 0 C--N 1.325 -0.457 0 CA-C-O 120.978 0.418 . . . . 0.0 110.945 178.386 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . 78.02 39.69 23.09 Favored Glycine 0 N--CA 1.446 -0.654 0 C-N-CA 121.037 -0.601 . . . . 0.0 112.578 176.227 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 81' ' ' GLN . . . . . . . . . . . . . 27.6 mt-30 -131.74 119.12 20.88 Favored 'General case' 0 C--N 1.324 -0.522 0 CA-C-O 120.716 0.293 . . . . 0.0 110.994 -177.938 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 82' ' ' ILE . . . . . . . . . . . . . 56.9 mt -89.47 101.97 12.63 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 N-CA-C 109.503 -0.554 . . . . 0.0 109.503 175.501 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 83' ' ' VAL . . . . . . . . . . . . . 28.8 t -94.2 100.74 11.65 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.407 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.226 -177.988 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 84' ' ' LEU . . . . . 0.622 HD23 ' N ' ' A' ' 85' ' ' SER . 3.9 tt -94.72 136.83 34.57 Favored 'General case' 0 C--N 1.323 -0.56 0 N-CA-C 109.723 -0.473 . . . . 0.0 109.723 -178.567 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 85' ' ' SER . . . . . 0.622 ' N ' HD23 ' A' ' 84' ' ' LEU . 21.4 m -141.27 144.25 34.55 Favored 'General case' 0 N--CA 1.451 -0.381 0 CA-C-N 116.306 -0.407 . . . . 0.0 109.948 179.981 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 86' ' ' ARG . . . . . . . . . . . . . 64.6 ttt-85 -87.37 94.53 9.71 Favored 'General case' 0 C--N 1.323 -0.57 0 CA-C-O 120.949 0.404 . . . . 0.0 110.822 -178.898 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 87' ' ' LEU . . . . . 0.414 HD13 ' HA ' ' A' ' 87' ' ' LEU . 3.9 mm? . . . . . 0 C--N 1.323 -0.573 0 CA-C-N 116.431 -0.349 . . . . 0.0 110.661 177.667 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 4.0 pt20 . . . . . 0 C--O 1.235 0.33 0 CA-C-O 120.928 0.394 . . . . 0.0 110.595 . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild core ' A' A ' 13' ' ' GLN . . . . . 0.471 ' OE1' ' HA ' ' A' ' 57' ' ' MET . 44.6 mt-30 -121.86 138.75 54.27 Favored 'General case' 0 C--N 1.32 -0.705 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.418 -179.133 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 14' ' ' LYS . . . . . 0.49 ' HB2' ' CE2' ' A' ' 16' ' ' PHE . 34.8 mmtp -109.8 151.27 27.19 Favored 'General case' 0 C--N 1.323 -0.576 0 CA-C-N 116.237 -0.438 . . . . 0.0 109.949 -178.386 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 15' ' ' ASN . . . . . 0.434 ' HA ' ' HA ' ' A' ' 56' ' ' SER . 7.3 t30 -83.07 101.31 11.06 Favored 'General case' 0 C--N 1.324 -0.528 0 CA-C-O 120.844 0.354 . . . . 0.0 110.111 -179.947 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 16' ' ' PHE . . . . . 0.49 ' CE2' ' HB2' ' A' ' 14' ' ' LYS . 90.6 m-85 -100.27 129.7 46.3 Favored 'General case' 0 C--N 1.323 -0.57 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.924 -178.418 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 24.3 t-20 -131.32 95.51 3.79 Favored 'General case' 0 C--N 1.324 -0.514 0 CA-C-N 115.903 -0.59 . . . . 0.0 109.728 176.349 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 18' ' ' ILE . . . . . 0.457 ' CD1' ' HB2' ' A' ' 30' ' ' PHE . 11.9 mt -123.09 119.87 58.93 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.546 0 CA-C-N 116.091 -0.504 . . . . 0.0 110.577 -175.768 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -68.72 148.99 49.57 Favored 'General case' 0 C--N 1.325 -0.497 0 N-CA-C 108.931 -0.766 . . . . 0.0 108.931 173.005 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -64.05 104.21 0.69 Allowed 'General case' 0 C--N 1.326 -0.423 0 CA-C-O 121.273 0.559 . . . . 0.0 110.695 -176.45 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 21' ' ' GLN . . . . . . . . . . . . . 77.6 mt-30 -104.31 172.61 3.99 Favored Pre-proline 0 C--N 1.32 -0.682 0 CA-C-N 115.266 -0.879 . . . . 0.0 109.738 177.682 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 22' ' ' PRO . . . . . . . . . . . . . 52.7 Cg_exo -55.88 140.22 85.15 Favored 'Trans proline' 0 N--CA 1.462 -0.357 0 C-N-CA 121.629 1.553 . . . . 0.0 109.852 165.85 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -51.21 -50.37 59.21 Favored 'General case' 0 C--N 1.328 -0.357 0 N-CA-C 112.434 0.531 . . . . 0.0 112.434 -168.846 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 2.7 mp0 -63.32 -31.37 72.5 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-O 120.721 0.296 . . . . 0.0 111.506 -178.514 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 47.4 t -78.58 -35.44 45.81 Favored 'General case' 0 C--N 1.325 -0.462 0 CA-C-N 116.368 -0.378 . . . . 0.0 110.375 177.439 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -58.1 -53.99 52.01 Favored 'General case' 0 CA--C 1.514 -0.436 0 CA-C-O 121.49 0.662 . . . . 0.0 110.727 -179.582 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 27' ' ' MET . . . . . 0.449 ' CB ' HG13 ' A' ' 38' ' ' VAL . 19.9 mmt -74.79 -19.15 60.32 Favored 'General case' 0 C--N 1.317 -0.817 0 CA-C-N 115.207 -0.906 . . . . 0.0 110.97 -176.127 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 28' ' ' LEU . . . . . 0.457 ' O ' ' HB3' ' A' ' 32' ' ' GLU . 63.4 tp -64.06 -32.48 74.05 Favored 'General case' 0 C--N 1.322 -0.617 0 N-CA-C 109.059 -0.719 . . . . 0.0 109.059 172.55 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 29' ' ' ARG . . . . . 0.437 ' HA ' ' OE2' ' A' ' 32' ' ' GLU . 19.2 mmt180 -90.14 -38.03 13.79 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 115.667 -0.697 . . . . 0.0 111.4 -179.569 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 30' ' ' PHE . . . . . 0.457 ' HB2' ' CD1' ' A' ' 18' ' ' ILE . 17.9 t80 -71.69 -56.25 6.17 Favored 'General case' 0 C--N 1.323 -0.547 0 CA-C-O 121.293 0.568 . . . . 0.0 110.964 177.467 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -76.31 -17.42 59.44 Favored 'General case' 0 C--N 1.318 -0.79 0 CA-C-N 115.668 -0.696 . . . . 0.0 112.064 -170.422 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 32' ' ' GLU . . . . . 0.457 ' HB3' ' O ' ' A' ' 28' ' ' LEU . 14.5 pt-20 -64.0 -29.73 70.87 Favored 'General case' 0 N--CA 1.463 0.194 0 C-N-CA 119.995 -0.682 . . . . 0.0 109.843 174.84 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 33' ' ' GLN . . . . . . . . . . . . . 27.4 mt-30 -77.05 -30.8 55.77 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 115.93 -0.577 . . . . 0.0 110.165 176.359 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -88.31 -19.04 27.25 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-N 115.653 -0.703 . . . . 0.0 111.547 -176.636 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 95.46 31.65 7.39 Favored Glycine 0 CA--C 1.52 0.377 0 CA-C-N 116.298 -0.41 . . . . 0.0 112.806 178.688 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 36' ' ' MET . . . . . . . . . . . . . 71.3 mtm -144.64 175.73 9.94 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.631 0.253 . . . . 0.0 111.072 -176.666 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 37' ' ' GLN . . . . . . . . . . . . . 38.7 mt-30 -150.65 161.61 42.27 Favored 'General case' 0 C--N 1.329 -0.288 0 C-N-CA 123.328 0.651 . . . . 0.0 109.476 174.138 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 38' ' ' VAL . . . . . 0.449 HG13 ' CB ' ' A' ' 27' ' ' MET . 4.2 m -77.01 136.7 23.95 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.5 0 CA-C-O 121.073 0.463 . . . . 0.0 111.348 -177.244 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 39' ' ' PHE . . . . . . . . . . . . . 89.3 t80 -116.03 98.21 6.51 Favored 'General case' 0 C--N 1.323 -0.562 0 CA-C-N 115.797 -0.638 . . . . 0.0 109.85 178.071 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 40' ' ' PHE . . . . . . . . . . . . . 93.3 m-85 -145.67 135.81 23.8 Favored 'General case' 0 C--N 1.322 -0.588 0 CA-C-N 115.925 -0.58 . . . . 0.0 110.232 -178.864 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 8.8 m-20 -125.93 -69.11 0.79 Allowed 'General case' 0 C--N 1.322 -0.605 0 CA-C-N 116.08 -0.509 . . . . 0.0 110.444 177.933 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 38.2 mt-10 -98.52 87.39 3.82 Favored 'General case' 0 C--N 1.322 -0.603 0 CA-C-N 116.08 -0.509 . . . . 0.0 109.902 179.532 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 43' ' ' VAL . . . . . . . . . . . . . 19.3 m -146.13 -162.62 0.12 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.448 0 CA-C-N 115.394 -0.821 . . . . 0.0 109.916 -177.274 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 36.9 ttmt -54.51 137.83 42.0 Favored 'General case' 0 C--O 1.236 0.343 0 CA-C-O 121.228 0.537 . . . . 0.0 110.744 174.737 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 63.9 tp -56.61 136.68 54.59 Favored 'General case' 0 C--N 1.325 -0.467 0 CA-C-N 115.132 -0.94 . . . . 0.0 111.017 -178.522 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 2.2 m-20 -55.76 149.83 13.84 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 115.564 -0.744 . . . . 0.0 110.886 176.832 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 121.42 -20.75 8.29 Favored Glycine 0 N--CA 1.444 -0.793 0 N-CA-C 110.047 -1.221 . . . . 0.0 110.047 -169.672 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 48' ' ' MET . . . . . . . . . . . . . 16.9 tpt -58.38 127.54 32.64 Favored 'General case' 0 C--O 1.234 0.243 0 CA-C-N 114.695 -0.752 . . . . 0.0 110.456 176.739 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 30.2 mm-40 -93.21 148.55 21.93 Favored 'General case' 0 C--N 1.319 -0.747 0 CA-C-O 121.282 0.563 . . . . 0.0 110.845 -179.512 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -83.73 166.73 17.81 Favored 'General case' 0 C--N 1.317 -0.815 0 CA-C-N 115.312 -0.858 . . . . 0.0 109.422 174.884 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -83.63 157.42 22.26 Favored 'General case' 0 C--N 1.317 -0.815 0 CA-C-N 116.347 -0.388 . . . . 0.0 110.465 -179.443 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -65.43 110.12 2.55 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.029 -0.532 . . . . 0.0 109.79 178.022 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 53' ' ' LEU . . . . . 0.408 ' HG ' ' HG ' ' A' ' 66' ' ' LEU . 2.8 tm? -108.5 117.28 33.77 Favored 'General case' 0 C--N 1.322 -0.599 0 CA-C-N 116.307 -0.406 . . . . 0.0 110.57 -173.895 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 54' ' ' ASN . . . . . . . . . . . . . 10.2 t30 -153.5 103.76 2.68 Favored 'General case' 0 C--N 1.324 -0.534 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.186 172.735 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . 178.52 158.28 20.82 Favored Glycine 0 N--CA 1.445 -0.753 0 C-N-CA 120.587 -0.816 . . . . 0.0 112.185 178.49 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 56' ' ' SER . . . . . 0.488 ' HA ' ' O ' ' A' ' 14' ' ' LYS . 29.0 t -91.25 108.41 19.86 Favored 'General case' 0 C--N 1.322 -0.622 0 N-CA-C 109.18 -0.674 . . . . 0.0 109.18 175.265 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 57' ' ' MET . . . . . 0.505 ' SD ' ' HA2' ' A' ' 62' ' ' GLY . 20.2 ptp -156.64 169.92 23.58 Favored 'General case' 0 C--N 1.324 -0.512 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.851 -173.977 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 4.8 m -88.01 177.51 6.92 Favored 'General case' 0 C--N 1.326 -0.452 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.059 177.612 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 59' ' ' VAL . . . . . . . . . . . . . 45.9 t -60.67 -39.98 83.3 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 N-CA-C 110.328 -0.249 . . . . 0.0 110.328 179.834 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 62.0 mm-40 -47.62 -61.41 1.95 Allowed 'General case' 0 N--CA 1.463 0.193 0 CA-C-N 115.98 -0.555 . . . . 0.0 111.575 177.1 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 61' ' ' GLN . . . . . 0.464 ' HB2' ' HB2' ' A' ' 57' ' ' MET . 68.5 mt-30 -72.23 -36.01 69.0 Favored 'General case' 0 C--N 1.325 -0.467 0 CA-C-N 115.851 -0.613 . . . . 0.0 110.971 -176.968 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 62' ' ' GLY . . . . . 0.512 ' O ' ' HB2' ' A' ' 66' ' ' LEU . . . -66.91 -54.04 23.8 Favored Glycine 0 C--O 1.222 -0.654 0 CA-C-N 115.86 -0.609 . . . . 0.0 112.958 -175.885 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 63' ' ' LEU . . . . . 0.418 HD12 ' CG ' ' A' ' 74' ' ' PHE . 1.9 tm? -59.51 -44.74 93.04 Favored 'General case' 0 C--N 1.325 -0.476 0 CA-C-O 120.969 0.414 . . . . 0.0 110.817 -175.479 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 64' ' ' ARG . . . . . . . . . . . . . 54.0 mtp180 -58.29 -47.41 83.74 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 115.884 -0.598 . . . . 0.0 110.848 178.568 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 65' ' ' ARG . . . . . 0.515 ' HA ' ' HA2' ' A' ' 69' ' ' GLY . 73.7 ttt180 -73.36 -31.99 64.26 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 116.067 -0.515 . . . . 0.0 111.344 -178.512 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 66' ' ' LEU . . . . . 0.512 ' HB2' ' O ' ' A' ' 62' ' ' GLY . 1.2 tt -70.07 -44.86 68.27 Favored 'General case' 0 C--N 1.325 -0.498 0 CA-C-N 115.652 -0.704 . . . . 0.0 111.213 -174.694 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 67' ' ' ILE . . . . . . . . . . . . . 58.3 mt -75.18 -65.78 0.66 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.26 0 C-N-CA 120.048 -0.661 . . . . 0.0 111.044 -176.966 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . -116.84 -49.09 0.43 Allowed Glycine 0 N--CA 1.45 -0.409 0 C-N-CA 120.913 -0.66 . . . . 0.0 113.347 -179.098 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 69' ' ' GLY . . . . . 0.515 ' HA2' ' HA ' ' A' ' 65' ' ' ARG . . . 105.17 -6.12 42.54 Favored Glycine 0 N--CA 1.45 -0.384 0 N-CA-C 111.032 -0.827 . . . . 0.0 111.032 -168.869 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 70' ' ' ASN . . . . . . . . . . . . . 12.0 m120 -101.27 161.45 23.6 Favored Pre-proline 0 C--N 1.325 -0.472 0 CA-C-N 115.564 -0.318 . . . . 0.0 110.309 179.061 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 71' ' ' PRO . . . . . . . . . . . . . 37.8 Cg_exo -63.23 125.57 16.02 Favored 'Trans proline' 0 C--N 1.344 0.314 0 C-N-CA 122.755 2.304 . . . . 0.0 112.136 176.492 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 72' ' ' VAL . . . . . . . . . . . . . 4.3 p -152.17 161.14 3.09 Favored 'Isoleucine or valine' 0 N--CA 1.447 -0.594 0 N-CA-C 109.545 -0.539 . . . . 0.0 109.545 -176.629 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 73' ' ' ALA . . . . . 0.47 ' HB2' HD13 ' A' ' 87' ' ' LEU . . . -102.83 138.85 39.16 Favored 'General case' 0 N--CA 1.439 -1.021 0 N-CA-C 109.102 -0.703 . . . . 0.0 109.102 175.956 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 74' ' ' PHE . . . . . 0.418 ' CG ' HD12 ' A' ' 63' ' ' LEU . 15.1 p90 -147.0 119.95 8.74 Favored 'General case' 0 C--N 1.309 -1.181 0 CA-C-O 121.503 0.668 . . . . 0.0 110.068 179.709 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 75' ' ' ARG . . . . . . . . . . . . . 55.8 mtm180 -91.5 112.81 24.87 Favored 'General case' 0 C--N 1.319 -0.753 0 CA-C-N 115.29 -0.868 . . . . 0.0 110.594 -175.549 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 76' ' ' LEU . . . . . . . . . . . . . 75.0 mt -91.58 99.74 12.6 Favored 'General case' 0 C--N 1.323 -0.562 0 CA-C-N 115.505 -0.77 . . . . 0.0 110.448 -177.739 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 77' ' ' GLN . . . . . . . . . . . . . 79.5 mt-30 -82.13 121.9 79.15 Favored Pre-proline 0 C--N 1.322 -0.624 0 CA-C-N 116.095 -0.502 . . . . 0.0 110.038 178.989 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 78' ' ' PRO . . . . . . . . . . . . . 31.5 Cg_exo -60.24 -12.07 18.51 Favored 'Trans proline' 0 C--N 1.347 0.475 0 C-N-CA 123.057 2.505 . . . . 0.0 112.092 178.496 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 79' ' ' GLN . . . . . . . . . . . . . 7.3 mm100 -69.22 -15.75 63.45 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.063 -0.517 . . . . 0.0 109.945 176.855 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . 109.66 31.35 3.22 Favored Glycine 0 N--CA 1.447 -0.628 0 C-N-CA 120.923 -0.656 . . . . 0.0 112.499 178.31 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 81' ' ' GLN . . . . . . . . . . . . . 26.4 mt-30 -134.64 126.44 29.15 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-O 121.038 0.447 . . . . 0.0 111.584 -176.95 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 82' ' ' ILE . . . . . . . . . . . . . 65.1 mt -100.69 116.29 43.87 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.517 0 CA-C-N 115.742 -0.663 . . . . 0.0 109.652 174.698 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 83' ' ' VAL . . . . . . . . . . . . . 41.4 t -115.91 119.76 62.82 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.535 0 CA-C-N 116.451 -0.341 . . . . 0.0 110.329 -179.389 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 84' ' ' LEU . . . . . . . . . . . . . 17.9 tp -78.63 153.61 30.93 Favored 'General case' 0 C--N 1.326 -0.455 0 N-CA-C 110.109 -0.33 . . . . 0.0 110.109 -179.231 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 85' ' ' SER . . . . . . . . . . . . . 32.7 m -154.02 172.71 17.04 Favored 'General case' 0 C--N 1.324 -0.515 0 N-CA-C 109.388 -0.597 . . . . 0.0 109.388 179.51 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 86' ' ' ARG . . . . . . . . . . . . . 38.3 ttt180 -122.84 123.32 40.74 Favored 'General case' 0 C--N 1.318 -0.798 0 N-CA-C 109.35 -0.611 . . . . 0.0 109.35 177.833 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 87' ' ' LEU . . . . . 0.47 HD13 ' HB2' ' A' ' 73' ' ' ALA . 1.7 tp . . . . . 0 C--N 1.322 -0.599 0 CA-C-N 116.396 -0.366 . . . . 0.0 110.278 -176.709 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 26.2 pt20 . . . . . 0 C--O 1.234 0.273 0 CA-C-O 121.036 0.446 . . . . 0.0 111.08 . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild core ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 27.5 mt-30 -109.46 135.26 50.77 Favored 'General case' 0 C--N 1.324 -0.542 0 CA-C-N 115.791 -0.641 . . . . 0.0 110.361 177.316 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 14' ' ' LYS . . . . . 0.437 ' HB2' ' CE2' ' A' ' 16' ' ' PHE . 35.4 mmtp -108.96 154.03 22.74 Favored 'General case' 0 C--N 1.32 -0.688 0 N-CA-C 109.551 -0.537 . . . . 0.0 109.551 178.598 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 15' ' ' ASN . . . . . . . . . . . . . 27.1 t-20 -86.56 113.76 22.73 Favored 'General case' 0 C--N 1.321 -0.657 0 CA-C-N 116.403 -0.362 . . . . 0.0 110.33 -179.163 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 16' ' ' PHE . . . . . 0.437 ' CE2' ' HB2' ' A' ' 14' ' ' LYS . 94.7 m-85 -113.23 152.49 29.71 Favored 'General case' 0 C--N 1.323 -0.544 0 CA-C-N 116.094 -0.503 . . . . 0.0 111.276 -177.468 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 43.7 t30 -149.96 90.58 1.7 Allowed 'General case' 0 C--N 1.324 -0.523 0 CA-C-N 115.38 -0.827 . . . . 0.0 109.073 176.646 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 18' ' ' ILE . . . . . 0.456 ' HB ' ' HB3' ' A' ' 53' ' ' LEU . 20.0 mm -112.49 123.36 68.12 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.513 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.449 -175.368 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -77.99 156.5 30.13 Favored 'General case' 0 C--N 1.323 -0.545 0 N-CA-C 108.688 -0.856 . . . . 0.0 108.688 172.175 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -69.77 102.09 1.84 Allowed 'General case' 0 C--N 1.328 -0.338 0 C-N-CA 120.003 -0.679 . . . . 0.0 110.332 -176.231 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 21' ' ' GLN . . . . . . . . . . . . . 76.7 mt-30 -104.93 165.17 13.71 Favored Pre-proline 0 C--N 1.322 -0.63 0 CA-C-N 114.936 -1.029 . . . . 0.0 109.641 176.565 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 22' ' ' PRO . . . . . . . . . . . . . 9.6 Cg_endo -55.59 137.73 78.79 Favored 'Trans proline' 0 N--CA 1.46 -0.465 0 C-N-CA 121.918 1.745 . . . . 0.0 109.597 165.952 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 23' ' ' LEU . . . . . 0.428 HD12 ' HB3' ' A' ' 48' ' ' MET . 0.6 OUTLIER -49.76 -42.22 45.92 Favored 'General case' 0 C--N 1.327 -0.391 0 N-CA-C 112.591 0.589 . . . . 0.0 112.591 -167.508 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 24.5 mp0 -57.25 -53.1 61.9 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-O 121.017 0.436 . . . . 0.0 110.63 -179.245 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 25' ' ' SER . . . . . 0.426 ' O ' ' HG2' ' A' ' 29' ' ' ARG . 43.2 t -71.09 -32.33 68.93 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-N 115.867 -0.606 . . . . 0.0 110.859 -178.526 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -56.21 -59.23 5.24 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 121.24 0.543 . . . . 0.0 111.388 -177.386 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 27' ' ' MET . . . . . 0.626 ' HB2' ' CG1' ' A' ' 38' ' ' VAL . 9.8 mmt -82.46 -13.49 56.64 Favored 'General case' 0 CA--C 1.506 -0.734 0 CA-C-N 115.904 -0.589 . . . . 0.0 110.283 -176.604 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 28' ' ' LEU . . . . . 0.67 ' O ' ' HG3' ' A' ' 32' ' ' GLU . 65.4 tp -60.1 -53.42 58.0 Favored 'General case' 0 C--N 1.321 -0.672 0 N-CA-C 108.257 -1.016 . . . . 0.0 108.257 167.729 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 29' ' ' ARG . . . . . 0.426 ' HG2' ' O ' ' A' ' 25' ' ' SER . 28.5 mmt180 -63.94 -42.73 97.26 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 115.811 -0.631 . . . . 0.0 111.588 -178.46 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 30' ' ' PHE . . . . . 0.566 ' CE2' HD21 ' A' ' 63' ' ' LEU . 8.1 t80 -63.83 -54.38 35.99 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 121.035 0.445 . . . . 0.0 110.746 176.82 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 31' ' ' ALA . . . . . 0.506 ' HB1' ' HB2' ' A' ' 36' ' ' MET . . . -69.9 -19.37 63.41 Favored 'General case' 0 N--CA 1.448 -0.57 0 CA-C-N 116.039 -0.528 . . . . 0.0 111.184 -174.584 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 32' ' ' GLU . . . . . 0.67 ' HG3' ' O ' ' A' ' 28' ' ' LEU . 27.8 mt-10 -57.09 -34.38 68.26 Favored 'General case' 0 N--CA 1.468 0.442 0 C-N-CA 120.624 -0.43 . . . . 0.0 110.577 174.052 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 33' ' ' GLN . . . . . . . . . . . . . 15.6 mm100 -90.13 -14.01 34.51 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.935 -179.699 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -96.89 -16.12 20.87 Favored 'General case' 0 C--N 1.324 -0.518 0 CA-C-N 116.255 -0.43 . . . . 0.0 111.335 -179.165 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 94.0 22.53 25.18 Favored Glycine 0 N--CA 1.451 -0.309 0 C-N-CA 121.113 -0.565 . . . . 0.0 112.364 179.557 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 36' ' ' MET . . . . . 0.506 ' HB2' ' HB1' ' A' ' 31' ' ' ALA . 1.1 mtp -130.11 175.46 8.88 Favored 'General case' 0 C--N 1.325 -0.5 0 CA-C-O 120.616 0.246 . . . . 0.0 110.606 -175.825 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 37' ' ' GLN . . . . . 0.452 ' O ' ' HA ' ' A' ' 81' ' ' GLN . 29.4 tt0 -147.92 155.57 41.73 Favored 'General case' 0 C--N 1.326 -0.433 0 N-CA-C 109.591 -0.522 . . . . 0.0 109.591 176.553 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 38' ' ' VAL . . . . . 0.626 ' CG1' ' HB2' ' A' ' 27' ' ' MET . 22.9 m -78.09 144.09 11.81 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.443 0 CA-C-O 120.937 0.398 . . . . 0.0 110.745 178.281 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 39' ' ' PHE . . . . . 0.521 ' O ' HG12 ' A' ' 83' ' ' VAL . 68.7 t80 -127.12 120.59 29.23 Favored 'General case' 0 C--N 1.319 -0.742 0 CA-C-N 116.097 -0.501 . . . . 0.0 109.962 177.269 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 40' ' ' PHE . . . . . . . . . . . . . 64.7 m-85 -124.94 129.08 49.65 Favored 'General case' 0 C--N 1.316 -0.849 0 N-CA-C 109.165 -0.68 . . . . 0.0 109.165 173.637 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 7.5 p-10 -83.79 -171.64 3.71 Favored 'General case' 0 C--N 1.321 -0.661 0 N-CA-C 108.961 -0.755 . . . . 0.0 108.961 175.806 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 42.7 mt-10 -73.3 87.3 1.49 Allowed 'General case' 0 C--N 1.321 -0.643 0 CA-C-O 121.303 0.573 . . . . 0.0 110.71 -177.059 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 43' ' ' VAL . . . . . . . . . . . . . 15.4 m -123.73 152.78 29.23 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.444 0 CA-C-N 115.393 -0.821 . . . . 0.0 110.904 -177.749 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 39.2 ttpt -104.55 91.63 3.96 Favored 'General case' 0 C--N 1.321 -0.646 0 CA-C-N 116.049 -0.523 . . . . 0.0 110.403 179.831 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 45' ' ' LEU . . . . . 0.532 ' O ' HD12 ' A' ' 45' ' ' LEU . 1.1 pp -156.61 125.48 5.93 Favored 'General case' 0 C--N 1.324 -0.513 0 CA-C-O 121.286 0.565 . . . . 0.0 110.633 177.568 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 4.6 p-10 -131.21 162.98 28.75 Favored 'General case' 0 C--N 1.322 -0.592 0 CA-C-N 115.89 -0.596 . . . . 0.0 110.027 -179.809 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 86.36 13.98 67.1 Favored Glycine 0 N--CA 1.449 -0.438 0 C-N-CA 120.497 -0.859 . . . . 0.0 111.526 -179.695 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 48' ' ' MET . . . . . 0.428 ' HB3' HD12 ' A' ' 23' ' ' LEU . 25.4 mmt -88.48 118.71 28.31 Favored 'General case' 0 N--CA 1.448 -0.562 0 N-CA-C 109.198 -0.668 . . . . 0.0 109.198 177.661 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 18.5 pt20 -138.78 166.33 24.7 Favored 'General case' 0 C--N 1.318 -0.773 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.479 -176.786 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -89.52 163.29 15.28 Favored 'General case' 0 C--N 1.32 -0.679 0 CA-C-N 115.751 -0.658 . . . . 0.0 110.357 179.801 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -95.95 174.03 7.14 Favored 'General case' 0 C--N 1.322 -0.596 0 CA-C-N 116.02 -0.536 . . . . 0.0 110.054 176.117 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -70.45 109.02 4.55 Favored 'General case' 0 C--N 1.325 -0.476 0 CA-C-O 121.017 0.437 . . . . 0.0 110.696 -179.263 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 53' ' ' LEU . . . . . 0.456 ' HB3' ' HB ' ' A' ' 18' ' ' ILE . 2.3 tm? -108.04 118.15 35.99 Favored 'General case' 0 C--N 1.322 -0.617 0 CA-C-N 115.873 -0.603 . . . . 0.0 109.604 -177.868 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 54' ' ' ASN . . . . . . . . . . . . . 56.3 t30 -152.78 98.53 2.35 Favored 'General case' 0 C--N 1.322 -0.6 0 CA-C-O 120.83 0.348 . . . . 0.0 110.261 176.461 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . 177.56 173.71 43.29 Favored Glycine 0 N--CA 1.449 -0.458 0 C-N-CA 120.829 -0.7 . . . . 0.0 112.427 178.73 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 20.9 m -99.19 106.4 18.57 Favored 'General case' 0 C--N 1.323 -0.577 0 N-CA-C 109.356 -0.609 . . . . 0.0 109.356 174.455 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 57' ' ' MET . . . . . 0.43 ' HB2' ' HB2' ' A' ' 61' ' ' GLN . 23.0 ptp -150.72 174.89 12.51 Favored 'General case' 0 C--N 1.323 -0.546 0 CA-C-N 116.351 -0.386 . . . . 0.0 110.633 -173.953 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 14.8 m -100.89 177.96 4.82 Favored 'General case' 0 C--N 1.323 -0.568 0 CA-C-N 116.363 -0.381 . . . . 0.0 110.764 -177.703 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 59' ' ' VAL . . . . . . . . . . . . . 11.3 p -52.76 -45.46 49.57 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.267 0 O-C-N 123.279 0.362 . . . . 0.0 111.951 -175.777 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 60' ' ' GLU . . . . . 0.686 ' O ' ' HG3' ' A' ' 64' ' ' ARG . 19.8 mt-10 -56.09 -65.31 0.62 Allowed 'General case' 0 C--N 1.325 -0.465 0 CA-C-N 116.507 -0.315 . . . . 0.0 111.145 179.393 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 61' ' ' GLN . . . . . 0.43 ' HB2' ' HB2' ' A' ' 57' ' ' MET . 25.3 mp0 -55.87 -36.96 68.16 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.967 -176.46 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . -60.16 -62.27 6.23 Favored Glycine 0 N--CA 1.446 -0.695 0 CA-C-N 115.835 -0.62 . . . . 0.0 112.22 177.967 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 63' ' ' LEU . . . . . 0.566 HD21 ' CE2' ' A' ' 30' ' ' PHE . 4.3 mm? -65.37 -22.21 66.78 Favored 'General case' 0 C--O 1.236 0.371 0 N-CA-C 111.637 0.236 . . . . 0.0 111.637 -176.168 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 64' ' ' ARG . . . . . 0.686 ' HG3' ' O ' ' A' ' 60' ' ' GLU . 99.2 mtt180 -63.17 -51.24 67.19 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.95 0.405 . . . . 0.0 110.487 176.373 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 65' ' ' ARG . . . . . . . . . . . . . 19.3 ttm180 -81.0 -28.75 35.36 Favored 'General case' 0 C--N 1.323 -0.56 0 CA-C-N 115.842 -0.617 . . . . 0.0 110.306 -178.371 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 66' ' ' LEU . . . . . 0.491 ' HB2' ' HA ' ' A' ' 63' ' ' LEU . 10.7 mt -70.68 -50.06 40.58 Favored 'General case' 0 C--N 1.323 -0.566 0 CA-C-N 115.263 -0.881 . . . . 0.0 112.819 -176.655 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 67' ' ' ILE . . . . . 0.473 HD11 HD12 ' A' ' 63' ' ' LEU . 58.1 mt -88.73 -64.11 1.2 Allowed 'Isoleucine or valine' 0 C--N 1.331 -0.232 0 N-CA-C 113.097 0.777 . . . . 0.0 113.097 -170.168 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . -114.2 -62.69 0.41 Allowed Glycine 0 N--CA 1.448 -0.519 0 C-N-CA 119.089 -1.529 . . . . 0.0 114.614 -170.886 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . 87.58 -21.96 19.39 Favored Glycine 0 CA--C 1.52 0.371 0 N-CA-C 110.401 -1.079 . . . . 0.0 110.401 -167.353 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 70' ' ' ASN . . . . . . . . . . . . . 26.9 p-10 -101.57 168.96 8.32 Favored Pre-proline 0 C--N 1.327 -0.39 0 C-N-CA 123.32 0.648 . . . . 0.0 109.47 176.781 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 71' ' ' PRO . . . . . . . . . . . . . 27.6 Cg_exo -63.35 97.87 0.21 Allowed 'Trans proline' 0 C--N 1.351 0.683 0 C-N-CA 122.341 2.027 . . . . 0.0 112.876 -179.343 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 72' ' ' VAL . . . . . . . . . . . . . 43.6 t -143.8 159.87 16.3 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.577 0 N-CA-C 107.515 -1.291 . . . . 0.0 107.515 176.875 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -117.19 132.23 56.69 Favored 'General case' 0 C--N 1.319 -0.719 0 C-N-CA 120.646 -0.421 . . . . 0.0 111.01 178.809 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 74' ' ' PHE . . . . . . . . . . . . . 23.0 p90 -106.18 126.85 52.72 Favored 'General case' 0 C--N 1.32 -0.715 0 CA-C-O 121.446 0.641 . . . . 0.0 110.238 175.481 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 75' ' ' ARG . . . . . . . . . . . . . 20.4 tpp180 -90.17 111.03 22.04 Favored 'General case' 0 C--N 1.319 -0.721 0 CA-C-N 115.183 -0.917 . . . . 0.0 110.347 -177.837 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 76' ' ' LEU . . . . . . . . . . . . . 87.9 mt -92.66 98.92 11.73 Favored 'General case' 0 C--N 1.319 -0.72 0 N-CA-C 109.461 -0.57 . . . . 0.0 109.461 175.872 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 77' ' ' GLN . . . . . 0.428 ' HA ' ' HD3' ' A' ' 78' ' ' PRO . 79.6 mt-30 -85.39 127.92 61.57 Favored Pre-proline 0 C--N 1.321 -0.672 0 CA-C-N 116.072 -0.513 . . . . 0.0 110.449 -178.954 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 78' ' ' PRO . . . . . 0.428 ' HD3' ' HA ' ' A' ' 77' ' ' GLN . 32.4 Cg_exo -58.76 -15.94 28.77 Favored 'Trans proline' 0 C--N 1.348 0.534 0 C-N-CA 123.249 2.633 . . . . 0.0 112.634 178.344 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 79' ' ' GLN . . . . . . . . . . . . . 93.3 mt-30 -78.47 -4.34 47.99 Favored 'General case' 0 C--O 1.234 0.288 0 CA-C-O 121.06 0.457 . . . . 0.0 110.701 177.073 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . 91.26 44.32 4.4 Favored Glycine 0 N--CA 1.444 -0.788 0 C-N-CA 120.967 -0.635 . . . . 0.0 112.737 177.887 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 81' ' ' GLN . . . . . 0.452 ' HA ' ' O ' ' A' ' 37' ' ' GLN . 76.4 mt-30 -132.63 140.7 48.32 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-O 120.698 0.285 . . . . 0.0 110.918 178.332 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 82' ' ' ILE . . . . . . . . . . . . . 43.6 mt -118.62 115.28 47.61 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.394 0 CA-C-N 115.886 -0.597 . . . . 0.0 109.864 175.688 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 83' ' ' VAL . . . . . 0.521 HG12 ' O ' ' A' ' 39' ' ' PHE . 26.9 m -130.92 165.59 30.9 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.387 0 N-CA-C 109.639 -0.504 . . . . 0.0 109.639 177.734 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 84' ' ' LEU . . . . . . . . . . . . . 11.1 mp -104.61 137.97 41.64 Favored 'General case' 0 C--N 1.324 -0.527 0 CA-C-O 121.108 0.48 . . . . 0.0 111.404 -178.273 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 85' ' ' SER . . . . . . . . . . . . . 31.9 m -126.12 152.01 46.49 Favored 'General case' 0 C--N 1.32 -0.699 0 CA-C-N 115.648 -0.705 . . . . 0.0 109.863 179.121 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 86' ' ' ARG . . . . . . . . . . . . . 13.3 ptm180 -101.44 83.35 2.44 Favored 'General case' 0 C--N 1.325 -0.49 0 CA-C-O 121.425 0.631 . . . . 0.0 111.466 -179.007 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 87' ' ' LEU . . . . . . . . . . . . . 4.4 mm? . . . . . 0 C--N 1.323 -0.586 0 N-CA-C 109.736 -0.468 . . . . 0.0 109.736 175.71 . . . . . . . . 0 0 . 1 . 006 nuclear nobuild core ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 22.8 tp60 . . . . . 0 N--CA 1.458 -0.072 0 CA-C-O 120.887 0.375 . . . . 0.0 110.614 . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild core ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 70.7 mt-30 -121.88 135.32 54.88 Favored 'General case' 0 C--N 1.324 -0.527 0 CA-C-N 116.378 -0.374 . . . . 0.0 110.283 177.489 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 14' ' ' LYS . . . . . 0.424 ' O ' ' HA ' ' A' ' 56' ' ' SER . 70.9 mmtt -132.24 158.17 42.46 Favored 'General case' 0 C--N 1.321 -0.649 0 CA-C-N 116.083 -0.508 . . . . 0.0 110.555 -179.639 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 15' ' ' ASN . . . . . . . . . . . . . 22.4 t-20 -83.87 113.63 21.08 Favored 'General case' 0 C--N 1.324 -0.542 0 CA-C-N 115.76 -0.655 . . . . 0.0 109.816 176.497 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 16' ' ' PHE . . . . . 0.478 ' CE1' ' HE1' ' A' ' 30' ' ' PHE . 18.7 m-85 -99.57 135.11 41.48 Favored 'General case' 0 C--N 1.322 -0.614 0 CA-C-N 116.278 -0.419 . . . . 0.0 110.599 -177.163 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 16.4 m120 -127.48 88.63 2.82 Favored 'General case' 0 C--N 1.325 -0.489 0 N-CA-C 108.726 -0.842 . . . . 0.0 108.726 176.387 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 18' ' ' ILE . . . . . 0.508 HG21 HD11 ' A' ' 66' ' ' LEU . 15.5 mm -120.24 107.46 20.93 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.544 0 C-N-CA 120.933 -0.307 . . . . 0.0 111.069 -177.375 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -75.14 161.41 29.42 Favored 'General case' 0 C--N 1.326 -0.451 0 N-CA-C 108.557 -0.905 . . . . 0.0 108.557 168.837 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -69.55 102.2 1.78 Allowed 'General case' 0 C--N 1.328 -0.364 0 CA-C-O 121.478 0.656 . . . . 0.0 110.683 -175.878 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 21' ' ' GLN . . . . . . . . . . . . . 68.9 mt-30 -106.53 174.49 2.54 Favored Pre-proline 0 C--N 1.321 -0.667 0 CA-C-N 114.907 -1.042 . . . . 0.0 110.125 177.545 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 22' ' ' PRO . . . . . . . . . . . . . 21.9 Cg_exo -66.69 144.78 73.31 Favored 'Trans proline' 0 N--CA 1.462 -0.358 0 C-N-CA 121.967 1.778 . . . . 0.0 109.894 164.692 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -52.44 -45.69 66.09 Favored 'General case' 0 C--N 1.327 -0.386 0 N-CA-C 112.733 0.642 . . . . 0.0 112.733 -167.994 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 24' ' ' GLN . . . . . 0.742 ' O ' ' HG ' ' A' ' 28' ' ' LEU . 43.9 mt-30 -55.69 -63.93 1.01 Allowed 'General case' 0 C--N 1.332 -0.172 0 C-N-CA 120.506 -0.478 . . . . 0.0 110.32 177.52 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 70.4 m -56.37 -32.16 64.5 Favored 'General case' 0 C--O 1.232 0.179 0 CA-C-N 116.28 -0.418 . . . . 0.0 111.829 -178.804 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -55.85 -54.19 47.56 Favored 'General case' 0 CA--C 1.517 -0.31 0 CA-C-O 121.475 0.655 . . . . 0.0 110.498 178.511 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 27' ' ' MET . . . . . 0.562 ' CB ' ' HB ' ' A' ' 38' ' ' VAL . 21.5 mmt -79.07 -23.03 44.47 Favored 'General case' 0 C--N 1.319 -0.738 0 CA-C-N 115.314 -0.857 . . . . 0.0 110.686 -177.67 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 28' ' ' LEU . . . . . 0.742 ' HG ' ' O ' ' A' ' 24' ' ' GLN . 79.5 mt -64.83 -32.28 73.9 Favored 'General case' 0 C--N 1.324 -0.53 0 C-N-CA 120.302 -0.559 . . . . 0.0 109.555 175.025 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 19.3 mmm180 -84.72 -41.49 16.17 Favored 'General case' 0 C--N 1.332 -0.176 0 CA-C-N 116.075 -0.511 . . . . 0.0 111.37 178.266 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 30' ' ' PHE . . . . . 0.478 ' HE1' ' CE1' ' A' ' 16' ' ' PHE . 22.0 t80 -71.52 -56.41 5.95 Favored 'General case' 0 C--N 1.322 -0.591 0 CA-C-O 121.086 0.47 . . . . 0.0 111.196 179.925 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 31' ' ' ALA . . . . . 0.405 ' HB1' ' HB2' ' A' ' 36' ' ' MET . . . -68.9 -26.99 65.39 Favored 'General case' 0 N--CA 1.446 -0.652 0 CA-C-N 116.036 -0.529 . . . . 0.0 111.631 -172.208 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 9.4 pt-20 -63.12 -29.82 71.1 Favored 'General case' 0 N--CA 1.465 0.324 0 C-N-CA 120.086 -0.645 . . . . 0.0 110.15 178.412 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 33' ' ' GLN . . . . . . . . . . . . . 15.3 mm100 -78.97 -17.32 55.64 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 115.848 -0.615 . . . . 0.0 110.198 178.135 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -104.66 4.81 33.04 Favored 'General case' 0 C--N 1.325 -0.474 0 CA-C-N 115.69 -0.686 . . . . 0.0 111.285 -179.991 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 74.52 32.61 57.44 Favored Glycine 0 C--N 1.332 0.327 0 C-N-CA 121.304 -0.474 . . . . 0.0 112.754 178.961 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 36' ' ' MET . . . . . 0.405 ' HB2' ' HB1' ' A' ' 31' ' ' ALA . 70.9 mtp -140.57 176.05 9.1 Favored 'General case' 0 C--N 1.324 -0.526 0 CA-C-O 120.583 0.23 . . . . 0.0 110.504 -176.879 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 37' ' ' GLN . . . . . 0.509 ' O ' ' HA ' ' A' ' 81' ' ' GLN . 23.7 tt0 -146.35 149.87 34.62 Favored 'General case' 0 C--N 1.324 -0.506 0 N-CA-C 108.976 -0.75 . . . . 0.0 108.976 173.124 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 38' ' ' VAL . . . . . 0.562 ' HB ' ' CB ' ' A' ' 27' ' ' MET . 12.4 p -78.62 144.63 10.85 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 CA-C-O 120.777 0.322 . . . . 0.0 110.616 -179.103 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 39' ' ' PHE . . . . . . . . . . . . . 66.3 t80 -114.17 127.25 55.82 Favored 'General case' 0 C--N 1.324 -0.536 0 CA-C-N 116.031 -0.531 . . . . 0.0 110.43 -177.144 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 40' ' ' PHE . . . . . . . . . . . . . 38.2 m-85 -118.84 112.31 19.52 Favored 'General case' 0 C--N 1.324 -0.534 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.922 178.092 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 5.8 p-10 -94.36 -147.6 0.26 Allowed 'General case' 0 C--N 1.323 -0.558 0 N-CA-C 108.594 -0.891 . . . . 0.0 108.594 170.211 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 43.5 mt-10 -74.28 87.74 1.99 Allowed 'General case' 0 C--N 1.323 -0.554 0 CA-C-O 121.663 0.744 . . . . 0.0 109.903 176.12 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 43' ' ' VAL . . . . . . . . . . . . . 21.0 m -129.4 -165.23 0.44 Allowed 'Isoleucine or valine' 0 C--N 1.32 -0.681 0 CA-C-N 115.364 -0.835 . . . . 0.0 110.134 -176.106 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 17.3 ptpt -58.42 150.39 22.5 Favored 'General case' 0 C--N 1.326 -0.449 0 CA-C-O 121.092 0.473 . . . . 0.0 110.955 176.568 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 58.5 tp -62.27 128.07 34.33 Favored 'General case' 0 C--N 1.323 -0.575 0 CA-C-N 115.481 -0.781 . . . . 0.0 109.97 176.884 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 21.7 t70 -59.96 154.76 18.13 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-O 121.112 0.482 . . . . 0.0 110.536 177.904 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 123.75 -11.12 8.39 Favored Glycine 0 N--CA 1.446 -0.667 0 N-CA-C 109.948 -1.261 . . . . 0.0 109.948 -169.641 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 48' ' ' MET . . . . . . . . . . . . . 15.1 tpt -56.92 127.14 30.31 Favored 'General case' 0 N--CA 1.452 -0.36 0 CA-C-N 114.76 -0.72 . . . . 0.0 109.909 172.727 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 36.0 tt0 -75.76 130.63 38.95 Favored 'General case' 0 C--N 1.32 -0.712 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.525 -179.055 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -83.15 142.65 31.06 Favored 'General case' 0 C--N 1.32 -0.704 0 CA-C-N 115.859 -0.61 . . . . 0.0 109.726 176.394 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -70.66 152.89 43.37 Favored 'General case' 0 C--N 1.323 -0.568 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.655 -178.514 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -71.77 90.2 1.07 Allowed 'General case' 0 C--N 1.323 -0.56 0 CA-C-N 115.848 -0.614 . . . . 0.0 110.702 -179.03 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 64.1 tp -93.17 110.82 22.33 Favored 'General case' 0 C--N 1.323 -0.571 0 CA-C-N 115.855 -0.611 . . . . 0.0 110.781 -178.837 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 54' ' ' ASN . . . . . 0.467 ' HA ' ' O ' ' A' ' 16' ' ' PHE . 10.3 t30 -144.28 99.08 3.32 Favored 'General case' 0 C--N 1.32 -0.703 0 CA-C-N 115.98 -0.555 . . . . 0.0 109.809 178.456 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . 179.48 177.37 47.75 Favored Glycine 0 N--CA 1.446 -0.658 0 CA-C-N 115.811 -0.631 . . . . 0.0 111.715 -179.042 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 56' ' ' SER . . . . . 0.424 ' HA ' ' O ' ' A' ' 14' ' ' LYS . 28.2 p -112.38 111.09 21.69 Favored 'General case' 0 C--N 1.322 -0.613 0 CA-C-N 116.728 0.264 . . . . 0.0 110.934 179.535 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 57' ' ' MET . . . . . 0.528 ' HB2' ' OE1' ' A' ' 61' ' ' GLN . 22.4 ptt? -167.15 -165.53 0.71 Allowed 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.34 -0.391 . . . . 0.0 110.424 178.621 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 57.9 m -89.48 162.01 15.94 Favored 'General case' 0 C--N 1.326 -0.44 0 N-CA-C 111.962 0.356 . . . . 0.0 111.962 -175.067 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 59' ' ' VAL . . . . . . . . . . . . . 61.4 t -64.28 -38.7 83.21 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.217 0 CA-C-N 116.251 -0.432 . . . . 0.0 109.958 178.358 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 60' ' ' GLU . . . . . 0.485 ' O ' ' HG3' ' A' ' 64' ' ' ARG . 24.3 mm-40 -52.07 -34.96 46.04 Favored 'General case' 0 C--N 1.331 -0.204 0 CA-C-N 115.315 -0.857 . . . . 0.0 111.27 177.109 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 61' ' ' GLN . . . . . 0.528 ' OE1' ' HB2' ' A' ' 57' ' ' MET . 79.7 mt-30 -91.03 -40.84 11.41 Favored 'General case' 0 C--N 1.322 -0.63 0 CA-C-N 115.796 -0.638 . . . . 0.0 111.181 -178.061 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . -63.92 -50.16 62.81 Favored Glycine 0 C--O 1.226 -0.354 0 C-N-CA 121.135 -0.555 . . . . 0.0 112.677 -178.633 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 63' ' ' LEU . . . . . 0.46 ' CD1' HD11 ' A' ' 67' ' ' ILE . 0.2 OUTLIER -56.02 -38.86 71.08 Favored 'General case' 0 C--N 1.328 -0.355 0 C-N-CA 122.74 0.416 . . . . 0.0 110.813 -176.478 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 64' ' ' ARG . . . . . 0.485 ' HG3' ' O ' ' A' ' 60' ' ' GLU . 35.8 mtp-105 -55.09 -60.34 3.52 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 115.677 -0.692 . . . . 0.0 111.27 178.102 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 65' ' ' ARG . . . . . 0.504 ' HA ' ' HA2' ' A' ' 69' ' ' GLY . 99.2 mtt180 -73.52 -30.76 63.3 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 115.716 -0.674 . . . . 0.0 111.247 -175.15 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 66' ' ' LEU . . . . . 0.508 HD11 HG21 ' A' ' 18' ' ' ILE . 20.2 tp -62.44 -36.22 81.72 Favored 'General case' 0 C--N 1.325 -0.499 0 CA-C-N 115.877 -0.601 . . . . 0.0 111.091 -177.2 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 67' ' ' ILE . . . . . 0.46 HD11 ' CD1' ' A' ' 63' ' ' LEU . 54.0 mt -90.21 -65.65 0.97 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 C-N-CA 120.524 -0.47 . . . . 0.0 110.874 179.038 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . -117.53 -53.96 0.31 Allowed Glycine 0 N--CA 1.45 -0.399 0 C-N-CA 120.96 -0.638 . . . . 0.0 113.612 -177.177 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 69' ' ' GLY . . . . . 0.504 ' HA2' ' HA ' ' A' ' 65' ' ' ARG . . . 103.24 4.61 47.2 Favored Glycine 0 N--CA 1.45 -0.413 0 N-CA-C 110.571 -1.012 . . . . 0.0 110.571 -168.199 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 70' ' ' ASN . . . . . . . . . . . . . 2.7 m-20 -100.59 159.33 29.95 Favored Pre-proline 0 C--N 1.327 -0.376 0 CA-C-N 115.072 -0.564 . . . . 0.0 110.284 -177.299 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 71' ' ' PRO . . . . . . . . . . . . . 12.5 Cg_exo -70.41 109.34 2.41 Favored 'Trans proline' 0 C--N 1.344 0.335 0 C-N-CA 122.637 2.224 . . . . 0.0 111.019 173.062 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 72' ' ' VAL . . . . . . . . . . . . . 11.6 p -149.4 161.77 4.75 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.555 0 N-CA-C 109.575 -0.528 . . . . 0.0 109.575 -172.226 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 73' ' ' ALA . . . . . 0.501 ' CB ' HD12 ' A' ' 87' ' ' LEU . . . -110.61 118.8 37.2 Favored 'General case' 0 N--CA 1.444 -0.737 0 CA-C-O 121.09 0.471 . . . . 0.0 110.256 -176.635 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 74' ' ' PHE . . . . . 0.413 ' HB3' HD12 ' A' ' 84' ' ' LEU . 13.9 p90 -120.39 119.29 32.65 Favored 'General case' 0 C--N 1.314 -0.977 0 N-CA-C 109.521 -0.548 . . . . 0.0 109.521 179.499 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 75' ' ' ARG . . . . . . . . . . . . . 87.2 mtm180 -87.42 109.06 19.3 Favored 'General case' 0 C--N 1.316 -0.873 0 CA-C-N 115.704 -0.68 . . . . 0.0 110.963 -174.997 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 76' ' ' LEU . . . . . . . . . . . . . 82.0 mt -85.38 98.21 10.43 Favored 'General case' 0 C--N 1.32 -0.675 0 CA-C-N 115.365 -0.834 . . . . 0.0 108.824 174.4 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 77' ' ' GLN . . . . . . . . . . . . . 24.0 mt-30 -76.78 140.69 67.64 Favored Pre-proline 0 C--N 1.322 -0.62 0 CA-C-N 115.957 -0.565 . . . . 0.0 110.511 -176.273 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 78' ' ' PRO . . . . . . . . . . . . . 34.2 Cg_endo -65.48 -6.68 14.1 Favored 'Trans proline' 0 C--N 1.345 0.384 0 C-N-CA 123.162 2.575 . . . . 0.0 111.791 176.783 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 79' ' ' GLN . . . . . . . . . . . . . 77.7 mt-30 -80.77 -2.92 49.05 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 115.669 -0.696 . . . . 0.0 109.826 173.55 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . 84.05 38.88 9.74 Favored Glycine 0 N--CA 1.445 -0.724 0 CA-C-N 115.565 -0.743 . . . . 0.0 112.258 179.53 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 81' ' ' GLN . . . . . 0.509 ' HA ' ' O ' ' A' ' 37' ' ' GLN . 29.0 mm-40 -128.85 140.6 51.62 Favored 'General case' 0 C--N 1.326 -0.428 0 CA-C-N 116.717 0.258 . . . . 0.0 110.85 -178.133 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 82' ' ' ILE . . . . . 0.414 ' HB ' ' HA ' ' A' ' 38' ' ' VAL . 52.2 mt -108.41 111.71 37.17 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.428 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.246 177.808 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 83' ' ' VAL . . . . . . . . . . . . . 49.0 t -117.86 112.09 37.12 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 CA-C-N 116.432 -0.349 . . . . 0.0 110.829 -179.371 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 84' ' ' LEU . . . . . 0.413 HD12 ' HB3' ' A' ' 74' ' ' PHE . 26.7 tp -78.28 142.46 37.79 Favored 'General case' 0 C--N 1.324 -0.511 0 N-CA-C 109.407 -0.59 . . . . 0.0 109.407 176.847 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 85' ' ' SER . . . . . . . . . . . . . 41.2 m -152.08 172.57 16.11 Favored 'General case' 0 N--CA 1.448 -0.571 0 CA-C-O 121.049 0.452 . . . . 0.0 110.458 -176.802 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 86' ' ' ARG . . . . . . . . . . . . . 48.2 ttp180 -122.89 133.42 54.41 Favored 'General case' 0 C--N 1.318 -0.766 0 N-CA-C 109.177 -0.675 . . . . 0.0 109.177 177.709 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 87' ' ' LEU . . . . . 0.501 HD12 ' CB ' ' A' ' 73' ' ' ALA . 15.0 mt . . . . . 0 C--N 1.317 -0.826 0 CA-C-N 116.383 -0.372 . . . . 0.0 111.015 -175.557 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 26.9 tp60 . . . . . 0 N--CA 1.455 -0.223 0 CA-C-O 120.893 0.378 . . . . 0.0 110.365 . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild core ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 85.7 mt-30 -89.79 146.06 24.74 Favored 'General case' 0 C--N 1.323 -0.583 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.575 178.153 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 14' ' ' LYS . . . . . 0.5 ' HB2' ' CZ ' ' A' ' 16' ' ' PHE . 35.0 mmtp -130.72 156.85 44.25 Favored 'General case' 0 C--N 1.324 -0.512 0 N-CA-C 109.614 -0.513 . . . . 0.0 109.614 177.073 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 15' ' ' ASN . . . . . . . . . . . . . 81.8 m-20 -81.79 99.75 9.16 Favored 'General case' 0 C--N 1.325 -0.494 0 CA-C-N 116.336 -0.393 . . . . 0.0 110.336 -179.254 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 16' ' ' PHE . . . . . 0.5 ' CZ ' ' HB2' ' A' ' 14' ' ' LYS . 47.0 m-85 -104.64 141.06 37.1 Favored 'General case' 0 C--N 1.324 -0.514 0 CA-C-O 120.964 0.411 . . . . 0.0 110.687 -179.632 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 5.4 t30 -150.98 98.71 2.62 Favored 'General case' 0 C--N 1.323 -0.557 0 CA-C-N 116.002 -0.544 . . . . 0.0 109.733 177.85 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 18' ' ' ILE . . . . . . . . . . . . . 35.6 mt -128.37 117.46 45.31 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.533 0 CA-C-O 120.755 0.312 . . . . 0.0 110.894 -176.07 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -64.32 142.15 58.52 Favored 'General case' 0 C--N 1.327 -0.413 0 N-CA-C 109.24 -0.652 . . . . 0.0 109.24 172.328 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -63.51 103.99 0.59 Allowed 'General case' 0 C--N 1.328 -0.367 0 CA-C-O 121.356 0.598 . . . . 0.0 111.088 -175.318 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 21' ' ' GLN . . . . . 0.417 ' HB3' ' HD2' ' A' ' 22' ' ' PRO . 79.3 mt-30 -103.92 173.72 3.22 Favored Pre-proline 0 C--N 1.321 -0.642 0 CA-C-N 115.032 -0.985 . . . . 0.0 109.748 176.468 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 22' ' ' PRO . . . . . 0.472 ' HA ' ' O ' ' A' ' 48' ' ' MET . 47.5 Cg_exo -57.57 135.44 69.61 Favored 'Trans proline' 0 N--CA 1.46 -0.454 0 C-N-CA 121.559 1.506 . . . . 0.0 110.22 167.097 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 54.8 tp -48.59 -44.41 36.9 Favored 'General case' 0 C--O 1.237 0.423 0 N-CA-C 112.304 0.483 . . . . 0.0 112.304 -168.931 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 24' ' ' GLN . . . . . 0.455 ' O ' ' HB2' ' A' ' 28' ' ' LEU . 49.4 mt-30 -61.61 -33.33 73.73 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.596 -179.493 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 25' ' ' SER . . . . . 0.404 ' O ' ' HG2' ' A' ' 29' ' ' ARG . 32.7 t -87.87 -28.1 21.79 Favored 'General case' 0 C--N 1.325 -0.486 0 CA-C-O 120.91 0.386 . . . . 0.0 110.247 179.444 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -61.76 -56.4 19.96 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 115.944 -0.571 . . . . 0.0 110.872 179.93 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 27' ' ' MET . . . . . 0.759 ' SD ' ' HB ' ' A' ' 38' ' ' VAL . 35.7 mtt -71.52 -24.65 62.0 Favored 'General case' 0 C--O 1.217 -0.644 0 CA-C-N 116.268 -0.423 . . . . 0.0 110.456 178.954 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 28' ' ' LEU . . . . . 0.455 ' HB2' ' O ' ' A' ' 24' ' ' GLN . 9.6 tt -56.84 -36.09 69.61 Favored 'General case' 0 C--N 1.319 -0.73 0 N-CA-C 109.649 -0.5 . . . . 0.0 109.649 176.1 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 29' ' ' ARG . . . . . 0.404 ' HG2' ' O ' ' A' ' 25' ' ' SER . 29.2 mmm180 -70.37 -55.72 8.42 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 115.947 -0.569 . . . . 0.0 111.686 179.888 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 21.0 t80 -80.4 -49.91 10.83 Favored 'General case' 0 C--N 1.327 -0.397 0 N-CA-C 112.176 0.436 . . . . 0.0 112.176 -175.56 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -65.77 -26.78 67.87 Favored 'General case' 0 C--N 1.323 -0.584 0 CA-C-N 116.352 -0.386 . . . . 0.0 111.994 -170.444 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 7.5 pt-20 -62.21 -32.14 72.77 Favored 'General case' 0 N--CA 1.465 0.304 0 C-N-CA 120.065 -0.654 . . . . 0.0 110.374 176.422 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 33' ' ' GLN . . . . . . . . . . . . . 48.4 mt-30 -77.65 -14.25 59.68 Favored 'General case' 0 C--N 1.331 -0.239 0 CA-C-O 121.324 0.583 . . . . 0.0 109.855 178.373 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -106.88 5.93 28.86 Favored 'General case' 0 C--N 1.325 -0.489 0 CA-C-N 115.622 -0.717 . . . . 0.0 110.841 178.764 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 67.9 32.96 78.43 Favored Glycine 0 CA--C 1.519 0.323 0 CA-C-N 116.004 -0.543 . . . . 0.0 112.796 178.09 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 36' ' ' MET . . . . . . . . . . . . . 73.8 mtm -139.3 175.04 9.9 Favored 'General case' 0 C--N 1.323 -0.569 0 CA-C-O 120.776 0.322 . . . . 0.0 110.612 -178.866 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 37' ' ' GLN . . . . . . . . . . . . . 54.4 tt0 -150.8 158.41 44.12 Favored 'General case' 0 C--N 1.322 -0.608 0 N-CA-C 108.596 -0.89 . . . . 0.0 108.596 177.004 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 38' ' ' VAL . . . . . 0.759 ' HB ' ' SD ' ' A' ' 27' ' ' MET . 2.9 p -77.23 127.67 38.11 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.395 0 CA-C-O 121.212 0.529 . . . . 0.0 110.936 -176.092 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 39' ' ' PHE . . . . . . . . . . . . . 37.3 t80 -119.2 139.54 51.68 Favored 'General case' 0 C--N 1.324 -0.514 0 CA-C-N 115.582 -0.735 . . . . 0.0 109.508 -178.61 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 40' ' ' PHE . . . . . . . . . . . . . 25.3 p90 -143.25 131.77 22.34 Favored 'General case' 0 C--N 1.32 -0.677 0 CA-C-O 121.114 0.483 . . . . 0.0 110.601 -178.454 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 6.3 m-20 -82.36 -70.6 0.54 Allowed 'General case' 0 CA--C 1.515 -0.396 0 CA-C-N 115.53 -0.759 . . . . 0.0 110.57 -179.721 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 35.7 mt-10 -115.96 86.58 2.51 Favored 'General case' 0 C--N 1.319 -0.736 0 CA-C-N 115.801 -0.636 . . . . 0.0 109.838 -179.333 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 43' ' ' VAL . . . . . . . . . . . . . 98.4 t -145.24 109.99 1.04 Allowed 'Isoleucine or valine' 0 C--N 1.323 -0.568 0 CA-C-N 115.357 -0.838 . . . . 0.0 109.255 178.787 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 25.9 ttpp -125.9 88.69 2.9 Favored 'General case' 0 C--N 1.321 -0.637 0 CA-C-O 121.223 0.535 . . . . 0.0 110.062 -179.356 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 4.3 tt -140.97 99.82 3.68 Favored 'General case' 0 C--N 1.32 -0.68 0 N-CA-C 108.192 -1.04 . . . . 0.0 108.192 176.94 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 17.1 m-20 -64.01 116.39 5.83 Favored 'General case' 0 C--N 1.322 -0.602 0 CA-C-N 115.695 -0.684 . . . . 0.0 110.814 -176.224 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 86.16 22.06 49.91 Favored Glycine 0 N--CA 1.448 -0.554 0 C-N-CA 120.964 -0.636 . . . . 0.0 112.554 179.151 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 48' ' ' MET . . . . . 0.472 ' O ' ' HA ' ' A' ' 22' ' ' PRO . 27.6 ttt -50.42 120.07 4.28 Favored 'General case' 0 N--CA 1.465 0.302 0 C-N-CA 122.687 0.395 . . . . 0.0 110.905 -179.902 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 28.5 tt0 -106.0 147.56 28.71 Favored 'General case' 0 C--N 1.324 -0.519 0 CA-C-O 120.804 0.335 . . . . 0.0 110.742 -174.904 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -88.21 -169.42 2.56 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-N 116.006 -0.543 . . . . 0.0 110.406 177.198 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -105.36 174.46 5.87 Favored 'General case' 0 C--N 1.325 -0.499 0 CA-C-O 120.844 0.354 . . . . 0.0 110.76 -178.95 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -77.17 93.41 3.92 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.078 -0.51 . . . . 0.0 111.077 -179.714 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 53' ' ' LEU . . . . . 0.421 HD13 ' C ' ' A' ' 53' ' ' LEU . 3.4 tm? -82.99 108.64 16.45 Favored 'General case' 0 C--N 1.324 -0.522 0 CA-C-N 115.79 -0.641 . . . . 0.0 110.001 179.318 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 54' ' ' ASN . . . . . . . . . . . . . 17.3 m120 -144.22 99.09 3.32 Favored 'General case' 0 C--N 1.325 -0.499 0 N-CA-C 109.57 -0.53 . . . . 0.0 109.57 176.53 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . 178.86 159.84 23.83 Favored Glycine 0 N--CA 1.449 -0.436 0 C-N-CA 119.893 -1.146 . . . . 0.0 113.222 -179.771 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 22.8 t -102.91 99.64 9.57 Favored 'General case' 0 C--N 1.323 -0.577 0 N-CA-C 109.174 -0.676 . . . . 0.0 109.174 175.024 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 57' ' ' MET . . . . . . . . . . . . . 18.0 ptp -151.21 -175.99 5.38 Favored 'General case' 0 C--N 1.323 -0.546 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.518 -175.558 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 15.2 m -87.35 177.65 7.07 Favored 'General case' 0 C--N 1.322 -0.595 0 C-N-CA 121.229 -0.188 . . . . 0.0 110.635 -177.881 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 59' ' ' VAL . . . . . . . . . . . . . 9.7 p -63.03 -39.14 84.08 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.386 0 CA-C-O 120.96 0.41 . . . . 0.0 110.419 -178.143 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 60' ' ' GLU . . . . . 0.564 ' HA ' ' CZ ' ' A' ' 74' ' ' PHE . 2.6 mp0 -58.05 -59.51 5.17 Favored 'General case' 0 C--N 1.325 -0.48 0 CA-C-N 115.515 -0.766 . . . . 0.0 111.378 -179.988 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 61' ' ' GLN . . . . . . . . . . . . . 15.6 mm100 -68.85 -35.71 77.27 Favored 'General case' 0 C--N 1.324 -0.543 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.462 -177.905 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . -61.6 -55.41 28.94 Favored Glycine 0 N--CA 1.445 -0.736 0 CA-C-N 115.906 -0.588 . . . . 0.0 112.321 -179.345 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 3.0 mm? -58.68 -40.7 84.29 Favored 'General case' 0 C--N 1.329 -0.322 0 N-CA-C 111.825 0.305 . . . . 0.0 111.825 -177.5 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 64' ' ' ARG . . . . . . . . . . . . . 82.7 mtt180 -63.48 -41.58 98.57 Favored 'General case' 0 C--N 1.325 -0.476 0 CA-C-N 116.66 -0.246 . . . . 0.0 111.06 -178.877 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 65' ' ' ARG . . . . . 0.561 ' HA ' ' HA2' ' A' ' 69' ' ' GLY . 87.8 mtt180 -80.2 -27.27 38.88 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-O 120.889 0.375 . . . . 0.0 111.062 179.176 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 6.7 tt -66.24 -48.95 68.89 Favored 'General case' 0 C--N 1.325 -0.483 0 CA-C-N 115.456 -0.793 . . . . 0.0 110.914 -178.665 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 67' ' ' ILE . . . . . 0.482 HD13 HD12 ' A' ' 84' ' ' LEU . 44.1 mt -79.52 -63.58 1.1 Allowed 'Isoleucine or valine' 0 C--N 1.323 -0.587 0 CA-C-N 116.13 -0.486 . . . . 0.0 111.584 -172.98 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . -114.48 -42.74 0.8 Allowed Glycine 0 N--CA 1.451 -0.333 0 C-N-CA 120.514 -0.851 . . . . 0.0 113.359 -176.869 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 69' ' ' GLY . . . . . 0.561 ' HA2' ' HA ' ' A' ' 65' ' ' ARG . . . 105.78 -8.23 42.8 Favored Glycine 0 N--CA 1.448 -0.546 0 C-N-CA 121.033 -0.603 . . . . 0.0 111.962 -171.126 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 70' ' ' ASN . . . . . 0.413 ' HA ' ' HD3' ' A' ' 71' ' ' PRO . 84.1 m-20 -100.6 156.41 35.23 Favored Pre-proline 0 C--N 1.328 -0.341 0 CA-C-O 120.659 0.266 . . . . 0.0 110.497 -179.353 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 71' ' ' PRO . . . . . 0.413 ' HD3' ' HA ' ' A' ' 70' ' ' ASN . 2.7 Cg_exo -75.67 99.34 1.26 Allowed 'Trans proline' 0 N--CA 1.462 -0.382 0 C-N-CA 122.812 2.342 . . . . 0.0 111.879 177.837 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 72' ' ' VAL . . . . . . . . . . . . . 2.3 t -138.57 160.73 31.01 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.543 0 N-CA-C 107.515 -1.291 . . . . 0.0 107.515 179.189 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -105.96 119.59 39.58 Favored 'General case' 0 N--CA 1.445 -0.693 0 C-N-CA 120.454 -0.498 . . . . 0.0 111.402 -166.019 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 74' ' ' PHE . . . . . 0.564 ' CZ ' ' HA ' ' A' ' 60' ' ' GLU . 21.2 p90 -110.19 146.38 35.65 Favored 'General case' 0 C--N 1.314 -0.948 0 N-CA-C 109.238 -0.653 . . . . 0.0 109.238 178.237 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 75' ' ' ARG . . . . . 0.421 HH11 ' HD2' ' A' ' 75' ' ' ARG . 53.5 mtm180 -119.32 111.46 18.21 Favored 'General case' 0 C--N 1.315 -0.91 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.319 -177.048 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 76' ' ' LEU . . . . . . . . . . . . . 51.3 mt -78.04 99.2 6.01 Favored 'General case' 0 C--N 1.326 -0.446 0 N-CA-C 109.391 -0.596 . . . . 0.0 109.391 178.507 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 77' ' ' GLN . . . . . 0.447 ' C ' ' H ' ' A' ' 79' ' ' GLN . 85.4 mm-40 -78.53 135.94 60.25 Favored Pre-proline 0 C--N 1.32 -0.69 0 CA-C-N 115.905 -0.589 . . . . 0.0 110.832 -176.004 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 78' ' ' PRO . . . . . 0.41 ' HD3' ' HA ' ' A' ' 77' ' ' GLN . 17.0 Cg_exo -68.11 9.4 0.38 Allowed 'Trans proline' 0 C--N 1.347 0.499 0 C-N-CA 123.271 2.648 . . . . 0.0 112.034 175.33 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 79' ' ' GLN . . . . . 0.447 ' H ' ' C ' ' A' ' 77' ' ' GLN . 14.8 mt-30 -99.26 11.89 37.77 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-N 115.511 -0.768 . . . . 0.0 109.85 179.094 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . 76.28 35.5 42.68 Favored Glycine 0 N--CA 1.451 -0.312 0 CA-C-N 115.855 -0.611 . . . . 0.0 112.047 -177.936 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 81' ' ' GLN . . . . . . . . . . . . . 75.7 mt-30 -135.6 127.09 28.7 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-O 120.775 0.322 . . . . 0.0 111.742 -173.949 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 82' ' ' ILE . . . . . . . . . . . . . 48.2 mt -102.82 108.85 25.15 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.705 0 N-CA-C 109.0 -0.741 . . . . 0.0 109.0 171.06 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 83' ' ' VAL . . . . . . . . . . . . . 18.9 m -117.06 141.66 34.41 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.603 0 CA-C-N 116.337 -0.392 . . . . 0.0 110.63 -179.552 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 84' ' ' LEU . . . . . 0.54 HD23 ' N ' ' A' ' 85' ' ' SER . 2.4 tt -107.55 137.66 45.17 Favored 'General case' 0 C--N 1.318 -0.799 0 N-CA-C 109.271 -0.64 . . . . 0.0 109.271 -179.175 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 85' ' ' SER . . . . . 0.54 ' N ' HD23 ' A' ' 84' ' ' LEU . 14.6 m -126.27 138.71 53.63 Favored 'General case' 0 N--CA 1.444 -0.769 0 N-CA-C 109.911 -0.403 . . . . 0.0 109.911 -177.618 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 86' ' ' ARG . . . . . . . . . . . . . 15.3 tpp180 -79.86 73.2 6.63 Favored 'General case' 0 C--N 1.324 -0.527 0 CA-C-O 121.654 0.74 . . . . 0.0 109.576 -179.18 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 87' ' ' LEU . . . . . . . . . . . . . 37.2 mt . . . . . 0 C--N 1.32 -0.704 0 CA-C-N 114.991 -1.004 . . . . 0.0 110.108 -176.253 . . . . . . . . 0 0 . 1 . 008 nuclear nobuild core ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 13.6 pt20 . . . . . 0 N--CA 1.453 -0.292 0 CA-C-O 121.158 0.504 . . . . 0.0 110.989 . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild core ' A' A ' 13' ' ' GLN . . . . . 0.445 ' HG2' ' O ' ' A' ' 13' ' ' GLN . 5.1 pm0 -80.7 102.21 9.75 Favored 'General case' 0 C--N 1.323 -0.545 0 CA-C-O 121.773 0.797 . . . . 0.0 110.46 178.853 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 74.4 mmtt -109.54 137.13 47.82 Favored 'General case' 0 C--N 1.32 -0.699 0 CA-C-N 115.52 -0.764 . . . . 0.0 109.328 178.638 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 15' ' ' ASN . . . . . 0.445 ' HA ' ' HA ' ' A' ' 56' ' ' SER . 6.4 p30 -83.53 118.41 23.77 Favored 'General case' 0 C--N 1.32 -0.676 0 CA-C-O 121.223 0.535 . . . . 0.0 110.932 -179.169 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 16' ' ' PHE . . . . . 0.419 ' O ' ' HA ' ' A' ' 54' ' ' ASN . 94.0 m-85 -116.1 141.72 47.76 Favored 'General case' 0 C--N 1.321 -0.666 0 CA-C-N 115.876 -0.602 . . . . 0.0 110.353 179.339 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 9.9 t30 -138.72 95.5 2.98 Favored 'General case' 0 C--N 1.321 -0.642 0 N-CA-C 109.421 -0.585 . . . . 0.0 109.421 176.328 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 18' ' ' ILE . . . . . 0.452 ' HB ' ' HB3' ' A' ' 53' ' ' LEU . 13.2 mm -117.74 121.59 67.78 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.769 0 CA-C-N 115.955 -0.566 . . . . 0.0 109.824 -175.938 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -67.39 146.31 54.18 Favored 'General case' 0 C--N 1.325 -0.489 0 N-CA-C 109.095 -0.705 . . . . 0.0 109.095 174.091 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -68.4 101.51 1.24 Allowed 'General case' 0 N--CA 1.452 -0.338 0 CA-C-O 121.562 0.696 . . . . 0.0 110.573 -175.305 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 21' ' ' GLN . . . . . . . . . . . . . 33.2 mt-30 -107.23 170.67 5.39 Favored Pre-proline 0 C--N 1.317 -0.837 0 CA-C-N 114.557 -1.201 . . . . 0.0 110.111 178.039 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 22' ' ' PRO . . . . . . . . . . . . . 51.3 Cg_exo -56.03 136.88 77.16 Favored 'Trans proline' 0 C--N 1.346 0.401 0 C-N-CA 121.632 1.554 . . . . 0.0 109.547 166.18 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 23' ' ' LEU . . . . . 0.494 ' N ' ' HA ' ' A' ' 49' ' ' GLN . 0.9 OUTLIER -53.0 -41.5 64.71 Favored 'General case' 0 C--N 1.325 -0.458 0 N-CA-C 112.954 0.724 . . . . 0.0 112.954 -166.286 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 52.6 mt-30 -65.98 -39.16 90.12 Favored 'General case' 0 C--N 1.325 -0.497 0 CA-C-O 120.75 0.309 . . . . 0.0 111.005 -179.811 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 18.0 m -76.99 -30.72 56.06 Favored 'General case' 0 C--N 1.325 -0.467 0 CA-C-O 121.034 0.445 . . . . 0.0 110.594 179.266 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -62.58 -51.94 65.35 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 115.75 -0.659 . . . . 0.0 110.794 178.995 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 27' ' ' MET . . . . . 0.409 ' HG3' ' HB ' ' A' ' 38' ' ' VAL . 26.5 mmt -70.41 -23.91 62.83 Favored 'General case' 0 C--N 1.323 -0.557 0 CA-C-N 115.396 -0.82 . . . . 0.0 110.82 -178.574 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 28' ' ' LEU . . . . . 0.526 ' O ' ' HB3' ' A' ' 32' ' ' GLU . 8.4 tt -61.58 -32.29 72.38 Favored 'General case' 0 C--N 1.322 -0.608 0 N-CA-C 109.072 -0.714 . . . . 0.0 109.072 175.1 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 29' ' ' ARG . . . . . 0.53 ' O ' ' HG2' ' A' ' 32' ' ' GLU . 21.5 mmt180 -85.72 -47.57 9.65 Favored 'General case' 0 C--N 1.332 -0.184 0 CA-C-N 116.116 -0.493 . . . . 0.0 111.766 179.523 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 8.3 t80 -67.15 -52.36 42.5 Favored 'General case' 0 C--N 1.32 -0.687 0 CA-C-O 121.385 0.612 . . . . 0.0 111.067 -179.834 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -77.69 -17.73 57.36 Favored 'General case' 0 C--N 1.318 -0.794 0 CA-C-N 115.722 -0.672 . . . . 0.0 112.201 -171.136 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 32' ' ' GLU . . . . . 0.53 ' HG2' ' O ' ' A' ' 29' ' ' ARG . 13.8 pt-20 -63.64 -29.6 70.82 Favored 'General case' 0 N--CA 1.467 0.413 0 C-N-CA 120.125 -0.63 . . . . 0.0 109.97 176.845 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 33' ' ' GLN . . . . . . . . . . . . . 74.0 mt-30 -79.19 -30.15 43.24 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 115.722 -0.672 . . . . 0.0 110.117 178.141 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -92.34 1.07 57.45 Favored 'General case' 0 C--N 1.326 -0.453 0 CA-C-N 115.744 -0.662 . . . . 0.0 111.714 -177.062 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 69.72 38.89 77.51 Favored Glycine 0 C--N 1.332 0.314 0 C-N-CA 121.084 -0.579 . . . . 0.0 112.216 -179.771 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 36' ' ' MET . . . . . . . . . . . . . 51.3 mtp -141.3 174.73 10.26 Favored 'General case' 0 C--N 1.324 -0.508 0 N-CA-C 110.167 -0.308 . . . . 0.0 110.167 -175.226 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 37' ' ' GLN . . . . . . . . . . . . . 41.9 tt0 -154.86 154.42 32.67 Favored 'General case' 0 C--N 1.326 -0.44 0 N-CA-C 109.135 -0.691 . . . . 0.0 109.135 172.04 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 38' ' ' VAL . . . . . 0.409 ' HB ' ' HG3' ' A' ' 27' ' ' MET . 7.4 p -90.6 146.35 6.31 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.398 0 CA-C-O 120.877 0.37 . . . . 0.0 111.412 -174.622 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 39' ' ' PHE . . . . . . . . . . . . . 65.2 t80 -138.88 134.9 33.89 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.041 -0.527 . . . . 0.0 109.957 -179.793 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 40' ' ' PHE . . . . . . . . . . . . . 51.1 m-85 -117.44 179.17 4.13 Favored 'General case' 0 C--N 1.324 -0.51 0 CA-C-N 116.306 -0.406 . . . . 0.0 110.542 -177.796 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 3.9 m-20 -68.87 155.56 40.03 Favored 'General case' 0 C--N 1.324 -0.501 0 N-CA-C 109.552 -0.536 . . . . 0.0 109.552 173.18 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 48.5 mt-10 -75.91 87.86 2.89 Favored 'General case' 0 C--N 1.324 -0.533 0 N-CA-C 109.479 -0.563 . . . . 0.0 109.479 176.566 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 43' ' ' VAL . . . . . . . . . . . . . 23.9 m -138.96 147.84 24.5 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.643 0 CA-C-N 115.597 -0.729 . . . . 0.0 110.295 -179.24 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 21.6 ttmm -91.85 88.96 6.84 Favored 'General case' 0 C--N 1.317 -0.817 0 N-CA-C 109.145 -0.687 . . . . 0.0 109.145 177.412 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 51.1 tp -136.81 133.68 36.19 Favored 'General case' 0 C--N 1.324 -0.529 0 CA-C-N 115.96 -0.564 . . . . 0.0 111.099 -173.72 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 15.6 m-20 -111.14 155.83 22.29 Favored 'General case' 0 C--N 1.323 -0.578 0 CA-C-N 115.885 -0.598 . . . . 0.0 110.513 174.724 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 112.07 -0.97 26.99 Favored Glycine 0 N--CA 1.45 -0.373 0 C-N-CA 120.833 -0.699 . . . . 0.0 112.665 177.446 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 48' ' ' MET . . . . . . . . . . . . . 71.2 mtm -79.29 118.62 21.38 Favored 'General case' 0 C--N 1.325 -0.488 0 N-CA-C 109.807 -0.442 . . . . 0.0 109.807 -179.875 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 49' ' ' GLN . . . . . 0.494 ' HA ' ' N ' ' A' ' 23' ' ' LEU . 4.1 pt20 -154.18 160.73 42.01 Favored 'General case' 0 C--N 1.322 -0.618 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.436 -176.964 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 50' ' ' ALA . . . . . 0.41 ' HA ' ' O ' ' A' ' 66' ' ' LEU . . . -90.81 158.58 16.75 Favored 'General case' 0 C--N 1.321 -0.634 0 CA-C-N 115.677 -0.692 . . . . 0.0 110.472 -179.473 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -89.67 -176.96 5.16 Favored 'General case' 0 C--N 1.323 -0.578 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.363 177.418 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -72.6 90.67 1.37 Allowed 'General case' 0 C--N 1.328 -0.343 0 CA-C-O 121.443 0.64 . . . . 0.0 110.344 178.53 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 53' ' ' LEU . . . . . 0.452 ' HB3' ' HB ' ' A' ' 18' ' ' ILE . 1.1 tm? -83.05 112.18 19.55 Favored 'General case' 0 C--N 1.321 -0.663 0 CA-C-N 115.356 -0.838 . . . . 0.0 110.416 -176.053 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 54' ' ' ASN . . . . . 0.419 ' HA ' ' O ' ' A' ' 16' ' ' PHE . 26.5 t-20 -155.19 105.33 2.5 Favored 'General case' 0 C--N 1.324 -0.5 0 N-CA-C 109.577 -0.527 . . . . 0.0 109.577 174.889 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . 178.55 158.62 21.51 Favored Glycine 0 N--CA 1.45 -0.411 0 C-N-CA 120.309 -0.948 . . . . 0.0 112.872 179.567 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 56' ' ' SER . . . . . 0.445 ' HA ' ' HA ' ' A' ' 15' ' ' ASN . 21.7 m -96.82 104.31 16.3 Favored 'General case' 0 C--N 1.329 -0.316 0 N-CA-C 109.486 -0.561 . . . . 0.0 109.486 174.793 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 57' ' ' MET . . . . . 0.426 ' HB2' ' HB2' ' A' ' 61' ' ' GLN . 11.8 ptt? -156.3 178.93 9.74 Favored 'General case' 0 C--N 1.322 -0.608 0 CA-C-N 116.145 -0.48 . . . . 0.0 111.129 -171.6 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 39.5 m -95.73 -174.91 3.28 Favored 'General case' 0 C--N 1.324 -0.542 0 CA-C-N 116.309 -0.405 . . . . 0.0 110.965 -179.312 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 59' ' ' VAL . . . . . . . . . . . . . 16.5 t -57.67 -46.47 86.61 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.187 0 CA-C-N 116.504 -0.316 . . . . 0.0 110.878 -176.484 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 60' ' ' GLU . . . . . 0.503 ' O ' ' HG3' ' A' ' 64' ' ' ARG . 3.3 mp0 -56.66 -62.27 1.85 Allowed 'General case' 0 C--N 1.323 -0.557 0 CA-C-N 116.042 -0.527 . . . . 0.0 111.348 -176.837 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 61' ' ' GLN . . . . . 0.515 ' OE1' ' HD2' ' A' ' 64' ' ' ARG . 15.0 mm100 -60.22 -37.52 80.57 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.436 -0.347 . . . . 0.0 111.426 -179.296 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . -58.98 -51.9 56.51 Favored Glycine 0 N--CA 1.448 -0.517 0 C-N-CA 120.83 -0.7 . . . . 0.0 111.867 178.088 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 63' ' ' LEU . . . . . 0.49 ' HA ' ' HB2' ' A' ' 66' ' ' LEU . 4.0 mm? -65.81 -39.15 90.61 Favored 'General case' 0 C--N 1.324 -0.518 0 CA-C-O 120.746 0.308 . . . . 0.0 111.496 -179.834 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 64' ' ' ARG . . . . . 0.515 ' HD2' ' OE1' ' A' ' 61' ' ' GLN . 92.8 mtt180 -54.3 -43.35 71.01 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-N 116.145 -0.479 . . . . 0.0 111.566 178.332 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 65' ' ' ARG . . . . . . . . . . . . . 64.0 mtp180 -80.31 -16.67 54.09 Favored 'General case' 0 C--N 1.324 -0.513 0 CA-C-O 120.994 0.426 . . . . 0.0 111.166 178.754 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 66' ' ' LEU . . . . . 0.49 ' HB2' ' HA ' ' A' ' 63' ' ' LEU . 8.2 mt -87.08 -48.68 7.88 Favored 'General case' 0 C--N 1.321 -0.672 0 CA-C-N 115.938 -0.573 . . . . 0.0 112.387 -175.158 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 67' ' ' ILE . . . . . . . . . . . . . 57.8 mt -90.46 -64.8 1.1 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 N-CA-C 113.431 0.9 . . . . 0.0 113.431 -168.647 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . -113.77 -62.32 0.42 Allowed Glycine 0 N--CA 1.447 -0.619 0 C-N-CA 119.152 -1.499 . . . . 0.0 114.958 -167.303 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . 83.81 -21.92 8.72 Favored Glycine 0 N--CA 1.45 -0.427 0 N-CA-C 110.204 -1.159 . . . . 0.0 110.204 -165.512 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 70' ' ' ASN . . . . . . . . . . . . . 14.0 m120 -102.15 161.67 22.68 Favored Pre-proline 0 C--N 1.33 -0.257 0 N-CA-C 109.219 -0.66 . . . . 0.0 109.219 173.491 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 71' ' ' PRO . . . . . . . . . . . . . 24.3 Cg_exo -64.01 97.37 0.23 Allowed 'Trans proline' 0 C--N 1.348 0.515 0 C-N-CA 122.216 1.944 . . . . 0.0 112.602 179.872 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 72' ' ' VAL . . . . . . . . . . . . . 14.1 t -141.49 151.23 19.41 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.341 0 N-CA-C 107.107 -1.442 . . . . 0.0 107.107 175.027 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -103.48 125.69 50.2 Favored 'General case' 0 C--N 1.321 -0.643 0 CA-C-N 118.622 0.647 . . . . 0.0 111.952 -170.151 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 74' ' ' PHE . . . . . . . . . . . . . 24.9 p90 -109.32 123.48 49.36 Favored 'General case' 0 C--N 1.324 -0.533 0 N-CA-C 109.498 -0.556 . . . . 0.0 109.498 174.879 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 75' ' ' ARG . . . . . . . . . . . . . 39.1 ttm180 -109.59 115.89 30.74 Favored 'General case' 0 C--N 1.319 -0.751 0 CA-C-N 115.932 -0.576 . . . . 0.0 110.422 -176.635 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 76' ' ' LEU . . . . . . . . . . . . . 2.2 mm? -81.95 99.58 9.18 Favored 'General case' 0 C--N 1.325 -0.482 0 CA-C-N 115.942 -0.572 . . . . 0.0 110.223 -179.388 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 77' ' ' GLN . . . . . . . . . . . . . 79.6 mm-40 -76.49 130.89 75.69 Favored Pre-proline 0 C--N 1.321 -0.639 0 CA-C-N 116.036 -0.529 . . . . 0.0 110.062 177.368 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 78' ' ' PRO . . . . . . . . . . . . . 37.9 Cg_endo -66.26 -0.84 4.61 Favored 'Trans proline' 0 C--N 1.343 0.24 0 C-N-CA 122.817 2.345 . . . . 0.0 112.096 178.851 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 79' ' ' GLN . . . . . . . . . . . . . 45.1 mt-30 -87.01 -0.42 56.6 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-N 115.418 -0.81 . . . . 0.0 109.999 176.01 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . 90.05 33.87 8.62 Favored Glycine 0 N--CA 1.448 -0.534 0 CA-C-N 115.767 -0.651 . . . . 0.0 112.257 179.074 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 81' ' ' GLN . . . . . . . . . . . . . 16.1 mm100 -132.22 134.76 45.72 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-O 120.975 0.416 . . . . 0.0 111.309 -176.695 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 82' ' ' ILE . . . . . . . . . . . . . 34.3 mt -101.54 98.92 7.44 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.575 0 N-CA-C 109.19 -0.67 . . . . 0.0 109.19 175.008 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 83' ' ' VAL . . . . . . . . . . . . . 47.9 t -92.86 115.68 32.25 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.706 0 CA-C-O 120.837 0.351 . . . . 0.0 110.473 -176.909 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 84' ' ' LEU . . . . . . . . . . . . . 31.3 tp -86.75 117.44 25.5 Favored 'General case' 0 C--N 1.324 -0.534 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.267 178.935 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 85' ' ' SER . . . . . . . . . . . . . 19.2 m -106.54 133.36 51.33 Favored 'General case' 0 C--N 1.32 -0.717 0 CA-C-N 116.255 -0.43 . . . . 0.0 109.981 -179.322 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 86' ' ' ARG . . . . . . . . . . . . . 99.7 mtt180 -81.41 70.49 8.28 Favored 'General case' 0 C--N 1.325 -0.491 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.243 -177.796 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 87' ' ' LEU . . . . . . . . . . . . . 8.9 mp . . . . . 0 C--N 1.325 -0.497 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.056 174.707 . . . . . . . . 0 0 . 1 . 009 nuclear nobuild core ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 34.8 tt0 . . . . . 0 N--CA 1.453 -0.279 0 CA-C-O 121.037 0.446 . . . . 0.0 109.991 . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild core ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 6.1 pt20 -127.2 140.64 52.1 Favored 'General case' 0 C--N 1.319 -0.75 0 CA-C-N 116.077 -0.51 . . . . 0.0 110.681 179.761 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 14' ' ' LYS . . . . . 0.446 ' O ' ' HA ' ' A' ' 56' ' ' SER . 34.0 mmtp -112.22 154.28 25.81 Favored 'General case' 0 C--N 1.323 -0.569 0 CA-C-N 115.853 -0.612 . . . . 0.0 109.702 -179.143 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 15' ' ' ASN . . . . . . . . . . . . . 13.3 t-20 -87.04 106.48 17.87 Favored 'General case' 0 C--N 1.322 -0.607 0 CA-C-N 116.343 -0.389 . . . . 0.0 110.122 -179.068 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 16' ' ' PHE . . . . . 0.476 ' O ' ' HA ' ' A' ' 54' ' ' ASN . 33.1 m-85 -102.42 135.9 43.21 Favored 'General case' 0 C--N 1.325 -0.47 0 CA-C-N 116.371 -0.377 . . . . 0.0 110.747 -178.02 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 48.7 m-80 -128.81 89.89 2.96 Favored 'General case' 0 C--N 1.325 -0.462 0 CA-C-O 121.213 0.53 . . . . 0.0 109.686 177.287 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 18' ' ' ILE . . . . . . . . . . . . . 19.6 mm -117.78 105.61 18.31 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.698 0 CA-C-N 115.807 -0.633 . . . . 0.0 110.436 -175.66 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -69.68 147.78 50.14 Favored 'General case' 0 C--N 1.323 -0.575 0 N-CA-C 108.295 -1.002 . . . . 0.0 108.295 170.945 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -65.62 102.97 0.79 Allowed 'General case' 0 C--N 1.33 -0.257 0 CA-C-O 121.476 0.655 . . . . 0.0 110.897 -173.295 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 21' ' ' GLN . . . . . . . . . . . . . 77.7 mt-30 -105.64 169.68 6.73 Favored Pre-proline 0 C--N 1.32 -0.707 0 CA-C-N 114.986 -1.007 . . . . 0.0 110.175 177.611 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 22' ' ' PRO . . . . . . . . . . . . . 53.1 Cg_exo -56.51 143.45 87.85 Favored 'Trans proline' 0 C--N 1.345 0.359 0 C-N-CA 121.855 1.704 . . . . 0.0 110.84 168.356 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -53.68 -46.47 70.67 Favored 'General case' 0 C--N 1.323 -0.544 0 N-CA-C 112.409 0.522 . . . . 0.0 112.409 -168.141 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 49.8 mt-30 -56.73 -44.02 81.23 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.416 -0.356 . . . . 0.0 111.844 -179.126 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 25' ' ' SER . . . . . 0.433 ' O ' ' HG2' ' A' ' 29' ' ' ARG . 6.3 p -83.57 -21.02 32.76 Favored 'General case' 0 C--N 1.324 -0.53 0 C-N-CA 121.051 -0.26 . . . . 0.0 111.268 -177.837 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -59.38 -57.11 14.44 Favored 'General case' 0 C--O 1.234 0.241 0 CA-C-O 120.901 0.381 . . . . 0.0 111.033 178.543 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 27' ' ' MET . . . . . 0.676 ' HB2' ' CG1' ' A' ' 38' ' ' VAL . 45.3 mtt -72.78 -24.55 60.95 Favored 'General case' 0 CA--C 1.507 -0.674 0 N-CA-C 109.918 -0.401 . . . . 0.0 109.918 177.811 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 28' ' ' LEU . . . . . 0.546 ' O ' ' HG3' ' A' ' 32' ' ' GLU . 64.6 tp -56.68 -52.36 65.24 Favored 'General case' 0 C--N 1.323 -0.569 0 N-CA-C 109.031 -0.729 . . . . 0.0 109.031 174.663 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 29' ' ' ARG . . . . . 0.472 ' HD3' ' OE1' ' A' ' 32' ' ' GLU . 23.1 mmt180 -63.48 -45.07 92.43 Favored 'General case' 0 C--N 1.326 -0.443 0 CA-C-N 116.324 -0.398 . . . . 0.0 111.703 -178.723 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 30' ' ' PHE . . . . . 0.467 ' CE2' HD21 ' A' ' 63' ' ' LEU . 28.0 t80 -65.87 -54.31 28.24 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-O 121.131 0.491 . . . . 0.0 111.113 178.901 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 31' ' ' ALA . . . . . 0.452 ' HA ' ' HB3' ' A' ' 34' ' ' ALA . . . -70.02 -18.01 63.29 Favored 'General case' 0 C--N 1.322 -0.62 0 CA-C-N 116.054 -0.521 . . . . 0.0 111.16 -175.79 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 32' ' ' GLU . . . . . 0.546 ' HG3' ' O ' ' A' ' 28' ' ' LEU . 11.5 mt-10 -54.06 -41.94 68.7 Favored 'General case' 0 N--CA 1.471 0.622 0 CA-C-O 120.766 0.317 . . . . 0.0 111.211 173.48 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 33' ' ' GLN . . . . . . . . . . . . . 28.9 pt20 -90.39 -10.47 43.79 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-O 120.732 0.301 . . . . 0.0 111.162 -178.983 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 34' ' ' ALA . . . . . 0.452 ' HB3' ' HA ' ' A' ' 31' ' ' ALA . . . -94.84 -30.1 14.38 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.501 -0.318 . . . . 0.0 111.749 -179.188 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 107.33 29.24 4.58 Favored Glycine 0 CA--C 1.519 0.31 0 C-N-CA 120.999 -0.62 . . . . 0.0 112.73 178.677 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 36' ' ' MET . . . . . 0.422 ' HB2' ' HB1' ' A' ' 31' ' ' ALA . 67.3 mtm -138.31 175.14 9.83 Favored 'General case' 0 C--N 1.327 -0.386 0 N-CA-C 110.401 -0.222 . . . . 0.0 110.401 -177.036 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 37' ' ' GLN . . . . . . . . . . . . . 9.3 tt0 -147.78 162.83 38.43 Favored 'General case' 0 C--N 1.327 -0.407 0 N-CA-C 109.569 -0.53 . . . . 0.0 109.569 177.569 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 38' ' ' VAL . . . . . 0.676 ' CG1' ' HB2' ' A' ' 27' ' ' MET . 21.8 m -75.92 148.59 7.17 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.361 0 CA-C-O 120.969 0.414 . . . . 0.0 111.455 -177.633 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 39' ' ' PHE . . . . . . . . . . . . . 72.9 t80 -139.8 145.66 38.45 Favored 'General case' 0 C--N 1.323 -0.573 0 CA-C-N 115.809 -0.632 . . . . 0.0 109.882 174.394 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 40' ' ' PHE . . . . . . . . . . . . . 37.8 p90 -153.08 153.95 33.86 Favored 'General case' 0 C--N 1.319 -0.721 0 N-CA-C 109.073 -0.714 . . . . 0.0 109.073 179.309 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 23.8 m-20 -90.48 -164.83 1.23 Allowed 'General case' 0 C--N 1.323 -0.556 0 N-CA-C 109.663 -0.495 . . . . 0.0 109.663 178.254 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 35.3 mt-10 -71.8 88.48 1.01 Allowed 'General case' 0 C--N 1.326 -0.422 0 CA-C-O 121.364 0.602 . . . . 0.0 110.439 179.196 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 43' ' ' VAL . . . . . . . . . . . . . 5.9 p -146.37 134.23 15.39 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.573 0 CA-C-N 115.422 -0.808 . . . . 0.0 109.644 -179.795 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 40.0 ttpt -73.62 107.81 6.09 Favored 'General case' 0 C--N 1.324 -0.509 0 CA-C-O 121.129 0.49 . . . . 0.0 110.701 -178.324 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 84.5 mt -88.59 98.17 11.51 Favored 'General case' 0 C--N 1.322 -0.593 0 CA-C-N 115.772 -0.649 . . . . 0.0 109.284 176.725 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 30.8 t70 -127.32 111.58 14.07 Favored 'General case' 0 C--N 1.321 -0.634 0 CA-C-N 115.868 -0.606 . . . . 0.0 110.443 -176.391 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 83.46 21.74 57.76 Favored Glycine 0 N--CA 1.448 -0.508 0 C-N-CA 120.836 -0.697 . . . . 0.0 111.786 -178.543 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 48' ' ' MET . . . . . . . . . . . . . 25.9 mmt -87.03 119.12 26.9 Favored 'General case' 0 C--N 1.326 -0.429 0 N-CA-C 110.195 -0.298 . . . . 0.0 110.195 -178.455 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -146.27 173.88 11.85 Favored 'General case' 0 C--N 1.322 -0.6 0 CA-C-N 116.331 -0.395 . . . . 0.0 110.838 -179.049 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -105.13 177.67 4.78 Favored 'General case' 0 C--N 1.321 -0.632 0 CA-C-O 121.326 0.584 . . . . 0.0 111.421 -176.772 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -99.68 171.16 8.08 Favored 'General case' 0 C--N 1.322 -0.599 0 CA-C-N 115.444 -0.798 . . . . 0.0 110.236 178.899 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -82.08 89.77 6.48 Favored 'General case' 0 C--N 1.325 -0.495 0 CA-C-O 120.967 0.413 . . . . 0.0 110.471 179.767 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 31.9 tp -97.65 120.69 38.49 Favored 'General case' 0 C--N 1.322 -0.609 0 CA-C-N 116.038 -0.528 . . . . 0.0 110.892 -179.965 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 54' ' ' ASN . . . . . 0.476 ' HA ' ' O ' ' A' ' 16' ' ' PHE . 3.0 p-10 -153.67 98.76 2.24 Favored 'General case' 0 C--N 1.32 -0.7 0 CA-C-O 121.553 0.692 . . . . 0.0 109.745 173.369 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . 179.3 178.85 48.58 Favored Glycine 0 N--CA 1.443 -0.861 0 CA-C-N 115.609 -0.723 . . . . 0.0 111.754 -176.632 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 56' ' ' SER . . . . . 0.446 ' HA ' ' O ' ' A' ' 14' ' ' LYS . 14.6 m -103.75 115.71 30.97 Favored 'General case' 0 C--N 1.319 -0.72 0 CA-C-O 120.723 0.297 . . . . 0.0 110.329 -179.645 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 57' ' ' MET . . . . . . . . . . . . . 20.1 ptp -157.88 173.15 17.23 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 116.399 -0.364 . . . . 0.0 110.497 -178.097 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 58' ' ' SER . . . . . 0.49 ' HB2' ' OE1' ' A' ' 61' ' ' GLN . 16.3 m -83.04 177.72 8.47 Favored 'General case' 0 C--N 1.326 -0.422 0 N-CA-C 110.413 -0.217 . . . . 0.0 110.413 -178.967 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 59' ' ' VAL . . . . . . . . . . . . . 24.7 t -61.68 -44.15 98.25 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.338 0 CA-C-O 120.746 0.308 . . . . 0.0 110.723 -177.811 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 60' ' ' GLU . . . . . 0.599 ' HB3' ' NH1' ' A' ' 64' ' ' ARG . 45.6 mt-10 -57.68 -56.35 23.01 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.046 -0.524 . . . . 0.0 111.577 179.3 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 61' ' ' GLN . . . . . 0.49 ' OE1' ' HB2' ' A' ' 58' ' ' SER . 24.6 mp0 -61.14 -42.29 98.27 Favored 'General case' 0 C--N 1.323 -0.553 0 N-CA-C 109.973 -0.38 . . . . 0.0 109.973 178.384 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 62' ' ' GLY . . . . . 0.544 ' O ' ' HB2' ' A' ' 66' ' ' LEU . . . -55.81 -58.69 12.83 Favored Glycine 0 C--O 1.219 -0.796 0 CA-C-N 115.674 -0.694 . . . . 0.0 112.611 -179.391 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 63' ' ' LEU . . . . . 0.476 ' HG ' ' CE2' ' A' ' 74' ' ' PHE . 4.2 mm? -60.87 -48.15 83.13 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-N 116.859 0.33 . . . . 0.0 111.809 -177.354 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 64' ' ' ARG . . . . . 0.599 ' NH1' ' HB3' ' A' ' 60' ' ' GLU . 66.3 mtt180 -62.5 -36.23 81.9 Favored 'General case' 0 C--N 1.325 -0.499 0 CA-C-N 116.562 -0.29 . . . . 0.0 110.868 -176.76 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 65' ' ' ARG . . . . . 0.496 ' HA ' ' HA2' ' A' ' 69' ' ' GLY . 8.3 tpp180 -78.64 -38.49 39.49 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-O 120.999 0.428 . . . . 0.0 110.775 177.699 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 66' ' ' LEU . . . . . 0.544 ' HB2' ' O ' ' A' ' 62' ' ' GLY . 5.8 tt -59.81 -48.84 80.07 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-N 115.257 -0.883 . . . . 0.0 110.926 -177.57 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 67' ' ' ILE . . . . . 0.408 HG13 ' O ' ' A' ' 63' ' ' LEU . 18.1 mt -77.78 -64.37 0.91 Allowed 'Isoleucine or valine' 0 C--N 1.322 -0.598 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.38 -173.293 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . -116.3 -44.71 0.6 Allowed Glycine 0 N--CA 1.451 -0.353 0 C-N-CA 120.764 -0.732 . . . . 0.0 113.9 -177.251 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 69' ' ' GLY . . . . . 0.496 ' HA2' ' HA ' ' A' ' 65' ' ' ARG . . . 105.25 -2.36 40.35 Favored Glycine 0 N--CA 1.45 -0.412 0 N-CA-C 111.063 -0.815 . . . . 0.0 111.063 -167.724 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 70' ' ' ASN . . . . . . . . . . . . . 40.8 m-80 -101.41 150.79 37.51 Favored Pre-proline 0 C--N 1.329 -0.319 0 CA-C-N 115.514 -0.343 . . . . 0.0 110.496 -179.741 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 71' ' ' PRO . . . . . . . . . . . . . 37.4 Cg_exo -61.37 120.37 8.0 Favored 'Trans proline' 0 C--N 1.344 0.324 0 C-N-CA 122.662 2.241 . . . . 0.0 110.83 172.356 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 72' ' ' VAL . . . . . 0.442 HG12 ' HG2' ' A' ' 64' ' ' ARG . 9.1 p -151.39 161.62 3.28 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 CA-C-N 116.58 -0.282 . . . . 0.0 110.266 -171.457 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -110.99 128.07 55.72 Favored 'General case' 0 N--CA 1.447 -0.576 0 CA-C-O 120.862 0.363 . . . . 0.0 110.061 -177.641 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 74' ' ' PHE . . . . . 0.506 ' HZ ' ' HA ' ' A' ' 60' ' ' GLU . 31.0 p90 -133.45 138.24 46.1 Favored 'General case' 0 C--N 1.317 -0.824 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.125 -178.071 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 75' ' ' ARG . . . . . 0.574 ' NH2' HD21 ' A' ' 87' ' ' LEU . 38.9 mmt180 -87.02 133.77 33.55 Favored 'General case' 0 C--N 1.322 -0.607 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.368 -177.93 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 76' ' ' LEU . . . . . . . . . . . . . 96.0 mt -118.68 111.9 19.11 Favored 'General case' 0 C--N 1.32 -0.692 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.231 177.322 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 77' ' ' GLN . . . . . . . . . . . . . 54.2 mt-30 -104.57 114.25 64.24 Favored Pre-proline 0 C--N 1.32 -0.711 0 N-CA-C 109.298 -0.63 . . . . 0.0 109.298 170.598 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 78' ' ' PRO . . . . . . . . . . . . . 79.2 Cg_exo -42.07 -46.16 7.16 Favored 'Trans proline' 0 C--N 1.351 0.68 0 C-N-CA 123.861 3.041 . . . . 0.0 113.915 -171.341 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 79' ' ' GLN . . . . . . . . . . . . . 12.1 pt20 -118.16 29.12 7.96 Favored 'General case' 0 C--N 1.325 -0.464 0 CA-C-O 120.99 0.424 . . . . 0.0 110.654 179.033 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . -124.51 -111.24 1.9 Allowed Glycine 0 N--CA 1.443 -0.882 0 C-N-CA 120.732 -0.747 . . . . 0.0 112.193 -178.964 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 81' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -143.0 169.83 16.82 Favored 'General case' 0 C--N 1.322 -0.603 0 CA-C-O 121.12 0.486 . . . . 0.0 111.712 -171.959 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 82' ' ' ILE . . . . . . . . . . . . . 53.0 mt -115.93 122.35 69.37 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 115.154 -0.93 . . . . 0.0 109.742 176.354 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 83' ' ' VAL . . . . . . . . . . . . . 16.6 m -128.48 142.38 44.04 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.508 0 CA-C-O 120.892 0.377 . . . . 0.0 110.576 176.838 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 84' ' ' LEU . . . . . . . . . . . . . 21.1 tp -102.45 141.75 34.76 Favored 'General case' 0 C--N 1.321 -0.631 0 CA-C-N 116.011 -0.541 . . . . 0.0 110.077 -176.11 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 85' ' ' SER . . . . . . . . . . . . . 23.8 m -152.27 145.56 24.72 Favored 'General case' 0 C--O 1.233 0.231 0 CA-C-O 121.127 0.489 . . . . 0.0 111.126 -177.601 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 86' ' ' ARG . . . . . . . . . . . . . 15.4 mmm180 -88.74 82.85 6.74 Favored 'General case' 0 C--N 1.323 -0.561 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.506 174.452 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 87' ' ' LEU . . . . . 0.574 HD21 ' NH2' ' A' ' 75' ' ' ARG . 8.1 mp . . . . . 0 C--N 1.326 -0.42 0 CA-C-O 120.884 0.374 . . . . 0.0 110.35 177.189 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 3.8 pt20 . . . . . 0 C--O 1.235 0.328 0 CA-C-O 121.194 0.521 . . . . 0.0 111.248 . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild core ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 51.9 mt-30 -119.3 122.38 41.75 Favored 'General case' 0 C--N 1.324 -0.525 0 CA-C-N 115.905 -0.589 . . . . 0.0 110.656 -178.843 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 14' ' ' LYS . . . . . 0.532 ' O ' ' HA ' ' A' ' 56' ' ' SER . 44.1 mmtm -109.54 142.96 39.87 Favored 'General case' 0 C--N 1.323 -0.573 0 N-CA-C 109.534 -0.543 . . . . 0.0 109.534 175.439 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 15' ' ' ASN . . . . . 0.411 ' HA ' ' HA ' ' A' ' 56' ' ' SER . 47.8 t30 -80.41 98.97 7.74 Favored 'General case' 0 C--N 1.325 -0.472 0 CA-C-O 121.113 0.482 . . . . 0.0 110.529 -178.03 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 16' ' ' PHE . . . . . . . . . . . . . 75.7 m-85 -100.13 140.66 34.04 Favored 'General case' 0 C--N 1.319 -0.751 0 CA-C-N 115.756 -0.656 . . . . 0.0 109.617 178.557 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 9.1 p30 -147.88 117.92 7.24 Favored 'General case' 0 C--N 1.319 -0.724 0 CA-C-O 121.306 0.574 . . . . 0.0 109.52 176.123 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 18' ' ' ILE . . . . . 0.535 HD12 HD11 ' A' ' 66' ' ' LEU . 18.1 mt -139.24 124.17 21.05 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.586 0 CA-C-N 115.837 -0.619 . . . . 0.0 109.923 -175.875 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -70.54 160.01 33.26 Favored 'General case' 0 C--N 1.328 -0.36 0 N-CA-C 109.566 -0.531 . . . . 0.0 109.566 175.851 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -67.07 104.11 1.34 Allowed 'General case' 0 C--N 1.331 -0.233 0 CA-C-O 121.522 0.677 . . . . 0.0 110.626 -176.502 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 21' ' ' GLN . . . . . . . . . . . . . 70.3 mt-30 -105.67 174.82 2.4 Favored Pre-proline 0 C--N 1.32 -0.688 0 CA-C-N 114.82 -1.082 . . . . 0.0 109.631 175.741 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 22' ' ' PRO . . . . . . . . . . . . . 32.5 Cg_exo -59.37 135.88 68.16 Favored 'Trans proline' 0 N--CA 1.462 -0.381 0 C-N-CA 121.54 1.493 . . . . 0.0 109.489 165.193 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 23' ' ' LEU . . . . . 0.406 ' HB2' ' HB3' ' A' ' 48' ' ' MET . 0.5 OUTLIER -54.99 -46.81 75.18 Favored 'General case' 0 C--N 1.326 -0.434 0 N-CA-C 112.809 0.67 . . . . 0.0 112.809 -165.827 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 76.5 mt-30 -70.58 -27.13 63.88 Favored 'General case' 0 C--N 1.325 -0.477 0 CA-C-O 120.806 0.336 . . . . 0.0 111.218 -178.668 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 19.9 m -80.97 -25.12 37.55 Favored 'General case' 0 C--N 1.326 -0.444 0 CA-C-O 121.188 0.518 . . . . 0.0 110.347 177.142 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -61.84 -51.99 66.0 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 115.648 -0.706 . . . . 0.0 110.932 178.632 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 27' ' ' MET . . . . . 0.657 ' HB2' ' CG2' ' A' ' 38' ' ' VAL . 15.4 mmt -75.43 -16.24 60.36 Favored 'General case' 0 C--N 1.323 -0.572 0 CA-C-N 115.572 -0.74 . . . . 0.0 110.391 -178.639 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 28' ' ' LEU . . . . . 0.432 ' O ' ' HB3' ' A' ' 32' ' ' GLU . 8.7 tt -61.44 -41.8 97.75 Favored 'General case' 0 C--N 1.321 -0.653 0 N-CA-C 108.056 -1.09 . . . . 0.0 108.056 171.453 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 29' ' ' ARG . . . . . 0.447 ' O ' ' HG2' ' A' ' 32' ' ' GLU . 16.5 mmm180 -72.14 -46.84 54.91 Favored 'General case' 0 C--N 1.331 -0.21 0 CA-C-N 115.624 -0.716 . . . . 0.0 111.586 179.363 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 30' ' ' PHE . . . . . 0.406 ' CE2' HD21 ' A' ' 63' ' ' LEU . 21.3 t80 -68.31 -53.98 20.56 Favored 'General case' 0 C--N 1.323 -0.551 0 CA-C-O 121.349 0.595 . . . . 0.0 111.452 -179.858 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -76.02 -18.2 59.36 Favored 'General case' 0 C--N 1.32 -0.691 0 CA-C-N 115.899 -0.592 . . . . 0.0 112.082 -170.054 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 32' ' ' GLU . . . . . 0.447 ' HG2' ' O ' ' A' ' 29' ' ' ARG . 13.7 pt-20 -66.4 -25.6 66.85 Favored 'General case' 0 C--N 1.327 -0.383 0 C-N-CA 119.888 -0.725 . . . . 0.0 109.739 176.377 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 33' ' ' GLN . . . . . . . . . . . . . 25.6 mt-30 -90.12 -13.85 34.89 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 115.737 -0.665 . . . . 0.0 110.502 177.421 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -102.07 -10.95 19.25 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.829 179.305 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 85.85 37.94 9.02 Favored Glycine 0 CA--C 1.517 0.213 0 C-N-CA 121.056 -0.592 . . . . 0.0 112.633 179.661 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 36' ' ' MET . . . . . . . . . . . . . 73.2 mtm -145.9 175.13 10.66 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-O 120.731 0.3 . . . . 0.0 110.451 -178.495 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 37' ' ' GLN . . . . . . . . . . . . . 51.9 tt0 -153.94 161.22 42.16 Favored 'General case' 0 C--N 1.326 -0.424 0 N-CA-C 108.996 -0.742 . . . . 0.0 108.996 177.833 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 38' ' ' VAL . . . . . 0.657 ' CG2' ' HB2' ' A' ' 27' ' ' MET . 39.4 t -76.22 127.01 37.48 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-O 120.667 0.27 . . . . 0.0 110.431 -176.613 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 39' ' ' PHE . . . . . 0.41 ' HB3' ' CG1' ' A' ' 83' ' ' VAL . 43.1 t80 -115.97 124.57 50.88 Favored 'General case' 0 N--CA 1.447 -0.594 0 N-CA-C 109.579 -0.526 . . . . 0.0 109.579 177.946 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 40' ' ' PHE . . . . . . . . . . . . . 31.7 p90 -135.77 146.2 47.36 Favored 'General case' 0 C--N 1.318 -0.8 0 CA-C-N 115.78 -0.646 . . . . 0.0 110.382 -175.038 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 29.2 t70 -130.88 -68.06 0.69 Allowed 'General case' 0 C--N 1.322 -0.591 0 CA-C-N 116.418 -0.355 . . . . 0.0 110.546 179.991 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 47.8 mt-10 -103.27 89.64 3.46 Favored 'General case' 0 C--N 1.323 -0.568 0 CA-C-O 120.953 0.406 . . . . 0.0 110.607 177.594 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 43' ' ' VAL . . . . . . . . . . . . . 7.5 p -150.13 135.63 10.95 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.352 0 CA-C-N 115.982 -0.553 . . . . 0.0 110.409 -179.713 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 37.6 ttpt -150.96 94.23 2.04 Favored 'General case' 0 C--N 1.326 -0.45 0 CA-C-O 120.919 0.39 . . . . 0.0 110.198 176.909 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 45' ' ' LEU . . . . . 0.547 ' O ' ' HG3' ' A' ' 48' ' ' MET . 54.4 tp -143.29 99.61 3.47 Favored 'General case' 0 C--N 1.32 -0.682 0 CA-C-N 115.996 -0.547 . . . . 0.0 110.103 -179.888 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 26.1 t70 -75.36 109.96 9.32 Favored 'General case' 0 C--N 1.319 -0.738 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.328 178.522 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 123.27 21.49 2.51 Favored Glycine 0 N--CA 1.447 -0.625 0 CA-C-N 115.759 -0.655 . . . . 0.0 112.031 -177.288 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 48' ' ' MET . . . . . 0.547 ' HG3' ' O ' ' A' ' 45' ' ' LEU . 67.5 mtm -67.74 119.52 12.6 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 121.101 0.477 . . . . 0.0 110.669 177.552 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 18.2 pt20 -138.01 154.36 49.33 Favored 'General case' 0 C--N 1.321 -0.648 0 CA-C-N 115.964 -0.562 . . . . 0.0 110.328 -177.927 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -88.3 148.76 24.15 Favored 'General case' 0 C--N 1.321 -0.633 0 CA-C-N 115.815 -0.63 . . . . 0.0 110.675 179.481 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -81.79 166.18 20.24 Favored 'General case' 0 C--N 1.322 -0.603 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.467 177.344 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -68.85 89.99 0.41 Allowed 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 121.328 0.585 . . . . 0.0 110.471 179.032 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 1.9 tm? -85.12 115.23 22.8 Favored 'General case' 0 C--N 1.32 -0.68 0 CA-C-N 115.357 -0.838 . . . . 0.0 110.072 -176.56 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 54' ' ' ASN . . . . . . . . . . . . . 6.2 p30 -160.34 100.0 1.33 Allowed 'General case' 0 C--N 1.328 -0.367 0 CA-C-O 121.352 0.596 . . . . 0.0 110.771 176.423 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . 178.63 154.71 13.11 Favored Glycine 0 N--CA 1.447 -0.567 0 C-N-CA 120.391 -0.909 . . . . 0.0 112.719 179.085 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 56' ' ' SER . . . . . 0.532 ' HA ' ' O ' ' A' ' 14' ' ' LYS . 63.9 p -90.09 101.79 14.51 Favored 'General case' 0 C--N 1.324 -0.514 0 N-CA-C 109.538 -0.542 . . . . 0.0 109.538 174.24 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 57' ' ' MET . . . . . . . . . . . . . 11.5 ptt? -151.15 -173.94 4.65 Favored 'General case' 0 C--N 1.321 -0.658 0 CA-C-N 116.572 -0.285 . . . . 0.0 111.48 -173.549 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 15.6 m -93.78 179.93 5.2 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.097 -177.582 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 59' ' ' VAL . . . . . . . . . . . . . 48.1 t -60.13 -52.64 58.84 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.166 0 CA-C-O 120.6 0.238 . . . . 0.0 111.087 -178.364 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 60' ' ' GLU . . . . . 0.407 ' HA ' ' CZ ' ' A' ' 74' ' ' PHE . 27.7 mp0 -53.53 -55.58 24.35 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.067 -0.515 . . . . 0.0 111.272 179.637 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 61' ' ' GLN . . . . . . . . . . . . . 75.6 mt-30 -58.22 -37.57 75.11 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 115.776 -0.647 . . . . 0.0 111.161 -178.607 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 62' ' ' GLY . . . . . 0.526 ' O ' ' HB2' ' A' ' 66' ' ' LEU . . . -67.04 -61.42 5.22 Favored Glycine 0 N--CA 1.445 -0.724 0 C-N-CA 121.044 -0.598 . . . . 0.0 112.566 179.233 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 63' ' ' LEU . . . . . 0.406 HD21 ' CE2' ' A' ' 30' ' ' PHE . 4.5 mm? -58.86 -45.78 89.32 Favored 'General case' 0 C--N 1.331 -0.216 0 N-CA-C 111.721 0.267 . . . . 0.0 111.721 -176.187 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 64' ' ' ARG . . . . . . . . . . . . . 29.6 ttt180 -54.89 -46.35 74.79 Favored 'General case' 0 N--CA 1.446 -0.628 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.97 -177.976 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 65' ' ' ARG . . . . . . . . . . . . . 27.4 ttm180 -76.1 -38.7 56.59 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.64 -179.779 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 66' ' ' LEU . . . . . 0.535 HD11 HD12 ' A' ' 18' ' ' ILE . 1.0 OUTLIER -62.07 -47.64 83.78 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-N 115.289 -0.869 . . . . 0.0 111.013 -176.277 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 67' ' ' ILE . . . . . . . . . . . . . 61.5 mt -78.12 -62.99 1.19 Allowed 'Isoleucine or valine' 0 C--N 1.327 -0.381 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.474 -176.967 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . -113.55 -59.91 0.4 Allowed Glycine 0 N--CA 1.445 -0.71 0 C-N-CA 120.515 -0.85 . . . . 0.0 113.333 -175.497 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . 102.88 -16.16 54.7 Favored Glycine 0 N--CA 1.447 -0.575 0 N-CA-C 110.04 -1.224 . . . . 0.0 110.04 -167.915 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 70' ' ' ASN . . . . . 0.404 ' HB3' ' HD2' ' A' ' 71' ' ' PRO . 15.5 m120 -101.06 159.8 28.48 Favored Pre-proline 0 C--N 1.324 -0.521 0 CA-C-N 114.36 -0.92 . . . . 0.0 109.501 178.801 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 71' ' ' PRO . . . . . 0.404 ' HD2' ' HB3' ' A' ' 70' ' ' ASN . 37.0 Cg_endo -66.53 99.95 0.46 Allowed 'Trans proline' 0 C--N 1.346 0.423 0 C-N-CA 122.667 2.245 . . . . 0.0 113.286 179.962 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 72' ' ' VAL . . . . . 0.473 ' CG1' HD21 ' A' ' 84' ' ' LEU . 1.1 t -133.68 160.4 42.12 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.375 0 N-CA-C 107.894 -1.15 . . . . 0.0 107.894 175.959 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -112.95 119.95 39.72 Favored 'General case' 0 C--N 1.325 -0.494 0 C-N-CA 120.333 -0.547 . . . . 0.0 111.587 -170.355 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 74' ' ' PHE . . . . . 0.491 ' HA ' ' HA ' ' A' ' 84' ' ' LEU . 32.2 p90 -123.12 145.57 48.47 Favored 'General case' 0 C--N 1.317 -0.823 0 CA-C-N 115.688 -0.687 . . . . 0.0 109.882 178.321 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 75' ' ' ARG . . . . . . . . . . . . . 5.0 ptp180 -125.1 125.64 44.08 Favored 'General case' 0 C--N 1.315 -0.899 0 CA-C-O 121.215 0.531 . . . . 0.0 110.389 -178.572 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 76' ' ' LEU . . . . . 0.403 HD22 ' N ' ' A' ' 76' ' ' LEU . 2.7 mm? -83.21 99.66 10.09 Favored 'General case' 0 C--N 1.324 -0.539 0 CA-C-N 115.739 -0.664 . . . . 0.0 109.546 -179.004 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 77' ' ' GLN . . . . . . . . . . . . . 0.4 OUTLIER -85.59 128.06 60.51 Favored Pre-proline 0 N--CA 1.434 -1.227 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.092 -176.124 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 78' ' ' PRO . . . . . . . . . . . . . 41.9 Cg_endo -66.15 -2.8 7.47 Favored 'Trans proline' 0 C--N 1.347 0.491 0 C-N-CA 123.629 2.886 . . . . 0.0 113.571 -173.215 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 79' ' ' GLN . . . . . . . . . . . . . 26.0 mt-30 -83.9 16.57 2.75 Favored 'General case' 0 C--N 1.325 -0.464 0 CA-C-O 121.016 0.436 . . . . 0.0 110.235 176.608 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . 76.3 32.97 50.29 Favored Glycine 0 N--CA 1.448 -0.532 0 CA-C-N 115.708 -0.678 . . . . 0.0 112.134 179.059 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 81' ' ' GLN . . . . . . . . . . . . . 78.6 mt-30 -134.13 118.27 17.51 Favored 'General case' 0 C--N 1.323 -0.562 0 CA-C-O 121.115 0.483 . . . . 0.0 111.506 -174.247 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 82' ' ' ILE . . . . . . . . . . . . . 57.4 mt -92.72 108.07 19.84 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.662 0 N-CA-C 109.144 -0.688 . . . . 0.0 109.144 173.435 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 83' ' ' VAL . . . . . 0.41 ' CG1' ' HB3' ' A' ' 39' ' ' PHE . 17.1 m -116.53 141.37 34.74 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.69 0 CA-C-O 121.284 0.564 . . . . 0.0 110.408 178.841 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 84' ' ' LEU . . . . . 0.667 HD23 ' N ' ' A' ' 85' ' ' SER . 7.7 tt -127.49 149.84 49.94 Favored 'General case' 0 C--N 1.317 -0.845 0 CA-C-N 115.569 -0.741 . . . . 0.0 109.083 -177.673 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 85' ' ' SER . . . . . 0.667 ' N ' HD23 ' A' ' 84' ' ' LEU . 25.1 m -144.18 150.78 38.56 Favored 'General case' 0 C--N 1.325 -0.479 0 N-CA-C 109.894 -0.41 . . . . 0.0 109.894 179.253 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 86' ' ' ARG . . . . . . . . . . . . . 69.1 mtt180 -85.1 75.61 10.33 Favored 'General case' 0 C--N 1.323 -0.562 0 CA-C-O 121.503 0.668 . . . . 0.0 111.415 -176.288 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 87' ' ' LEU . . . . . . . . . . . . . 10.9 mp . . . . . 0 C--N 1.324 -0.542 0 CA-C-N 115.101 -0.954 . . . . 0.0 110.382 176.818 . . . . . . . . 0 0 . 1 . 011 nuclear nobuild core ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 5.5 pm0 . . . . . 0 N--CA 1.455 -0.188 0 CA-C-O 121.359 0.599 . . . . 0.0 110.408 . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild core ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 12.5 pt20 -109.13 125.76 52.51 Favored 'General case' 0 C--N 1.323 -0.573 0 CA-C-N 115.875 -0.602 . . . . 0.0 110.778 -177.061 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 14' ' ' LYS . . . . . 0.417 ' HB2' ' CZ ' ' A' ' 16' ' ' PHE . 13.7 mmmm -112.0 137.03 50.57 Favored 'General case' 0 C--N 1.321 -0.639 0 CA-C-N 115.536 -0.756 . . . . 0.0 109.453 178.821 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 15' ' ' ASN . . . . . . . . . . . . . 23.9 t-20 -81.22 110.1 16.38 Favored 'General case' 0 C--N 1.321 -0.655 0 CA-C-O 120.98 0.419 . . . . 0.0 110.215 179.715 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 16' ' ' PHE . . . . . 0.575 ' O ' ' HA ' ' A' ' 54' ' ' ASN . 52.7 m-85 -101.55 142.64 32.61 Favored 'General case' 0 C--N 1.321 -0.662 0 CA-C-N 115.981 -0.554 . . . . 0.0 110.482 -179.37 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 8.9 t30 -137.35 94.18 2.9 Favored 'General case' 0 C--N 1.325 -0.466 0 N-CA-C 109.196 -0.668 . . . . 0.0 109.196 175.083 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 18' ' ' ILE . . . . . . . . . . . . . 15.9 mm -112.76 118.73 58.67 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.663 0 CA-C-N 115.714 -0.675 . . . . 0.0 111.058 -173.159 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -75.72 152.22 37.5 Favored 'General case' 0 C--N 1.325 -0.475 0 N-CA-C 108.856 -0.794 . . . . 0.0 108.856 172.703 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -67.54 101.15 0.95 Allowed 'General case' 0 C--N 1.332 -0.182 0 CA-C-O 121.49 0.662 . . . . 0.0 110.585 -176.04 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 21' ' ' GLN . . . . . . . . . . . . . 40.0 mt-30 -107.18 168.53 7.89 Favored Pre-proline 0 C--N 1.32 -0.697 0 CA-C-N 114.769 -1.105 . . . . 0.0 110.39 177.846 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 22' ' ' PRO . . . . . 0.493 ' HA ' ' O ' ' A' ' 48' ' ' MET . 34.0 Cg_exo -60.71 134.2 52.7 Favored 'Trans proline' 0 C--N 1.343 0.27 0 C-N-CA 121.902 1.735 . . . . 0.0 109.469 165.29 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 23' ' ' LEU . . . . . 0.496 ' HB2' ' HB3' ' A' ' 48' ' ' MET . 59.6 mt -49.87 -42.16 47.11 Favored 'General case' 0 C--N 1.329 -0.319 0 N-CA-C 114.149 1.166 . . . . 0.0 114.149 -167.596 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 94.0 mt-30 -65.18 -35.12 80.1 Favored 'General case' 0 C--N 1.322 -0.593 0 CA-C-O 120.942 0.401 . . . . 0.0 110.913 -178.092 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 25' ' ' SER . . . . . 0.455 ' O ' ' HG2' ' A' ' 29' ' ' ARG . 15.3 m -83.22 -34.47 25.87 Favored 'General case' 0 C--N 1.325 -0.48 0 CA-C-O 121.096 0.474 . . . . 0.0 109.912 176.392 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -58.02 -58.52 8.05 Favored 'General case' 0 CA--C 1.516 -0.346 0 CA-C-N 115.493 -0.776 . . . . 0.0 111.437 -179.384 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 27' ' ' MET . . . . . 0.541 ' CE ' ' HB3' ' A' ' 66' ' ' LEU . 12.3 mmt -79.18 -13.37 59.75 Favored 'General case' 0 CA--C 1.506 -0.735 0 CA-C-N 115.377 -0.829 . . . . 0.0 110.558 -174.297 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 28' ' ' LEU . . . . . 0.635 ' O ' ' HG3' ' A' ' 32' ' ' GLU . 3.1 tm? -66.36 -53.62 33.97 Favored 'General case' 0 C--N 1.318 -0.797 0 N-CA-C 107.984 -1.117 . . . . 0.0 107.984 167.405 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 29' ' ' ARG . . . . . 0.537 ' HD3' ' OE1' ' A' ' 32' ' ' GLU . 29.1 mmt180 -65.46 -42.49 92.23 Favored 'General case' 0 N--CA 1.464 0.251 0 CA-C-N 116.299 -0.41 . . . . 0.0 111.402 -178.924 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 30' ' ' PHE . . . . . 0.47 ' HB3' ' HA ' ' A' ' 27' ' ' MET . 32.1 t80 -62.61 -52.65 62.52 Favored 'General case' 0 C--N 1.326 -0.455 0 CA-C-O 120.982 0.42 . . . . 0.0 110.823 178.205 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 31' ' ' ALA . . . . . 0.464 ' HA ' ' HB3' ' A' ' 34' ' ' ALA . . . -71.44 -19.56 62.22 Favored 'General case' 0 C--N 1.323 -0.546 0 CA-C-N 116.156 -0.474 . . . . 0.0 111.204 -176.445 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 32' ' ' GLU . . . . . 0.635 ' HG3' ' O ' ' A' ' 28' ' ' LEU . 20.7 mt-10 -53.39 -50.99 63.97 Favored 'General case' 0 N--CA 1.471 0.604 0 CA-C-O 120.921 0.391 . . . . 0.0 111.1 176.383 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 33' ' ' GLN . . . . . . . . . . . . . 4.1 pt20 -83.29 -9.14 59.27 Favored 'General case' 0 C--N 1.325 -0.465 0 CA-C-N 116.059 -0.519 . . . . 0.0 111.061 -178.227 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 34' ' ' ALA . . . . . 0.464 ' HB3' ' HA ' ' A' ' 31' ' ' ALA . . . -94.23 -11.07 31.0 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-O 120.969 0.414 . . . . 0.0 111.086 177.372 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 85.24 37.41 9.9 Favored Glycine 0 CA--C 1.517 0.209 0 CA-C-N 116.033 -0.53 . . . . 0.0 112.718 178.6 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 36' ' ' MET . . . . . 0.452 ' HG2' ' HA2' ' A' ' 80' ' ' GLY . 64.1 mtm -148.83 176.03 10.75 Favored 'General case' 0 C--N 1.328 -0.356 0 C-N-CA 122.566 0.346 . . . . 0.0 110.217 -178.615 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 37' ' ' GLN . . . . . 0.423 ' O ' ' HA ' ' A' ' 81' ' ' GLN . 44.1 tt0 -138.19 144.12 40.55 Favored 'General case' 0 C--N 1.325 -0.5 0 N-CA-C 109.413 -0.588 . . . . 0.0 109.413 173.407 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 38' ' ' VAL . . . . . 0.44 ' HB ' ' HB2' ' A' ' 27' ' ' MET . 6.4 p -77.3 132.75 32.14 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.385 0 N-CA-C 109.618 -0.512 . . . . 0.0 109.618 176.546 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 39' ' ' PHE . . . . . . . . . . . . . 82.9 t80 -89.79 115.36 27.08 Favored 'General case' 0 C--N 1.322 -0.628 0 CA-C-N 115.959 -0.564 . . . . 0.0 110.745 -174.697 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 40' ' ' PHE . . . . . . . . . . . . . 20.9 p90 -142.37 104.87 4.49 Favored 'General case' 0 C--N 1.322 -0.588 0 CA-C-O 121.381 0.61 . . . . 0.0 110.322 178.116 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 32.0 t70 -125.88 -61.5 1.24 Allowed 'General case' 0 C--N 1.321 -0.638 0 CA-C-N 115.955 -0.566 . . . . 0.0 110.295 179.156 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 42.1 mt-10 -97.24 86.73 3.99 Favored 'General case' 0 C--N 1.322 -0.595 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.053 176.117 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 43' ' ' VAL . . . . . . . . . . . . . 4.2 m -151.34 138.29 13.06 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 CA-C-N 115.913 -0.585 . . . . 0.0 110.517 -178.324 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 24.1 ttmm -150.57 89.81 1.59 Allowed 'General case' 0 C--N 1.321 -0.652 0 CA-C-N 116.047 -0.524 . . . . 0.0 109.862 174.998 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 56.3 tp -159.2 125.31 4.43 Favored 'General case' 0 C--N 1.324 -0.528 0 CA-C-N 115.646 -0.706 . . . . 0.0 109.97 -179.597 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 6.6 p-10 -94.22 162.04 14.02 Favored 'General case' 0 C--N 1.322 -0.595 0 CA-C-O 120.903 0.382 . . . . 0.0 110.606 -179.364 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 101.21 10.62 41.56 Favored Glycine 0 N--CA 1.446 -0.646 0 C-N-CA 120.831 -0.7 . . . . 0.0 112.405 178.93 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 48' ' ' MET . . . . . 0.496 ' HB3' ' HB2' ' A' ' 23' ' ' LEU . 64.3 mtt -71.66 117.84 13.74 Favored 'General case' 0 C--N 1.33 -0.264 0 N-CA-C 109.928 -0.397 . . . . 0.0 109.928 -178.996 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 47.6 mt-30 -141.7 126.89 18.53 Favored 'General case' 0 C--N 1.322 -0.591 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.333 -176.587 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -83.93 160.62 21.05 Favored 'General case' 0 C--N 1.321 -0.635 0 CA-C-N 115.99 -0.55 . . . . 0.0 110.913 179.652 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -90.65 154.0 19.89 Favored 'General case' 0 C--N 1.322 -0.601 0 CA-C-N 115.946 -0.57 . . . . 0.0 109.945 175.597 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -70.08 89.7 0.63 Allowed 'General case' 0 C--N 1.328 -0.34 0 CA-C-O 121.145 0.498 . . . . 0.0 110.368 178.915 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 61.5 tp -83.13 113.1 20.4 Favored 'General case' 0 C--N 1.322 -0.607 0 CA-C-N 115.705 -0.68 . . . . 0.0 110.763 -178.247 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 54' ' ' ASN . . . . . 0.575 ' HA ' ' O ' ' A' ' 16' ' ' PHE . 64.0 t30 -138.51 100.92 4.22 Favored 'General case' 0 C--N 1.323 -0.56 0 N-CA-C 109.597 -0.52 . . . . 0.0 109.597 175.798 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . 179.74 165.3 33.51 Favored Glycine 0 N--CA 1.45 -0.395 0 C-N-CA 120.5 -0.857 . . . . 0.0 112.593 -178.037 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 17.4 m -106.22 103.29 12.73 Favored 'General case' 0 C--N 1.325 -0.495 0 CA-C-O 120.754 0.311 . . . . 0.0 110.651 -178.653 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 57' ' ' MET . . . . . . . . . . . . . 12.5 ptt? -162.77 -171.05 2.56 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.283 179.876 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 14.8 m -90.89 -171.22 2.94 Favored 'General case' 0 C--N 1.324 -0.526 0 C-N-CA 120.915 -0.314 . . . . 0.0 111.087 -178.556 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 59' ' ' VAL . . . . . 0.403 HG21 ' HE1' ' A' ' 36' ' ' MET . 24.2 t -66.28 -40.28 86.43 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.338 0 CA-C-N 116.578 -0.283 . . . . 0.0 111.366 -176.411 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 60' ' ' GLU . . . . . 0.725 ' O ' ' HG3' ' A' ' 64' ' ' ARG . 1.7 mp0 -50.31 -70.22 0.09 Allowed 'General case' 0 C--N 1.328 -0.338 0 O-C-N 123.607 0.567 . . . . 0.0 111.376 -175.659 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 61' ' ' GLN . . . . . 0.402 ' HA ' ' HD3' ' A' ' 64' ' ' ARG . 18.3 mm100 -62.2 -34.41 76.4 Favored 'General case' 0 C--N 1.328 -0.35 0 N-CA-C 111.762 0.282 . . . . 0.0 111.762 -174.313 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . -64.55 -53.63 34.1 Favored Glycine 0 N--CA 1.449 -0.495 0 C-N-CA 120.524 -0.846 . . . . 0.0 112.197 178.218 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 63' ' ' LEU . . . . . 0.551 HD12 ' CG ' ' A' ' 74' ' ' PHE . 1.3 tm? -67.49 -32.61 73.55 Favored 'General case' 0 C--N 1.326 -0.453 0 C-N-CA 122.466 0.306 . . . . 0.0 110.623 -176.414 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 64' ' ' ARG . . . . . 0.725 ' HG3' ' O ' ' A' ' 60' ' ' GLU . 71.7 mtp180 -51.92 -59.67 4.06 Favored 'General case' 0 C--O 1.235 0.298 0 CA-C-O 121.046 0.451 . . . . 0.0 110.555 176.578 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 65' ' ' ARG . . . . . . . . . . . . . 51.7 ttt180 -68.63 -33.79 74.62 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 115.441 -0.8 . . . . 0.0 110.856 -177.377 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 66' ' ' LEU . . . . . 0.541 ' HB3' ' CE ' ' A' ' 27' ' ' MET . 9.2 mt -59.03 -55.74 31.26 Favored 'General case' 0 C--N 1.324 -0.535 0 CA-C-N 115.511 -0.768 . . . . 0.0 112.866 -177.184 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 67' ' ' ILE . . . . . 0.517 HD12 HD11 ' A' ' 63' ' ' LEU . 10.6 mt -79.98 -61.59 1.68 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.345 0 N-CA-C 113.155 0.798 . . . . 0.0 113.155 -170.02 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . -112.38 -63.07 0.46 Allowed Glycine 0 N--CA 1.448 -0.549 0 C-N-CA 119.009 -1.567 . . . . 0.0 114.711 -169.015 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . 84.47 -21.77 10.06 Favored Glycine 0 CA--C 1.52 0.378 0 N-CA-C 110.499 -1.041 . . . . 0.0 110.499 -167.295 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 70' ' ' ASN . . . . . 0.512 ' HB2' ' HD2' ' A' ' 71' ' ' PRO . 27.5 p-10 -101.68 162.56 20.05 Favored Pre-proline 0 C--N 1.327 -0.386 0 C-N-CA 123.534 0.734 . . . . 0.0 109.191 175.314 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 71' ' ' PRO . . . . . 0.512 ' HD2' ' HB2' ' A' ' 70' ' ' ASN . 19.1 Cg_endo -59.25 97.72 0.1 Allowed 'Trans proline' 0 C--N 1.351 0.661 0 C-N-CA 122.552 2.168 . . . . 0.0 113.368 -179.087 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 72' ' ' VAL . . . . . . . . . . . . . 8.2 t -140.56 160.27 24.64 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.393 0 N-CA-C 107.69 -1.226 . . . . 0.0 107.69 174.708 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -117.56 129.72 55.96 Favored 'General case' 0 C--N 1.322 -0.596 0 C-N-CA 120.694 -0.402 . . . . 0.0 111.053 -179.549 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 74' ' ' PHE . . . . . 0.551 ' CG ' HD12 ' A' ' 63' ' ' LEU . 27.6 p90 -115.98 138.85 50.83 Favored 'General case' 0 C--N 1.325 -0.499 0 CA-C-O 121.05 0.452 . . . . 0.0 109.937 174.635 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 75' ' ' ARG . . . . . . . . . . . . . 82.6 mtp180 -114.97 119.62 37.13 Favored 'General case' 0 C--N 1.318 -0.795 0 CA-C-N 115.903 -0.589 . . . . 0.0 110.58 -178.406 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 76' ' ' LEU . . . . . . . . . . . . . 41.2 mt -87.53 99.19 11.85 Favored 'General case' 0 C--N 1.32 -0.712 0 N-CA-C 109.14 -0.689 . . . . 0.0 109.14 176.757 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 77' ' ' GLN . . . . . 0.431 ' HA ' ' HD3' ' A' ' 78' ' ' PRO . 14.9 mm100 -79.43 137.2 55.75 Favored Pre-proline 0 C--N 1.321 -0.649 0 CA-C-N 115.851 -0.613 . . . . 0.0 111.128 -174.03 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 78' ' ' PRO . . . . . 0.431 ' HD3' ' HA ' ' A' ' 77' ' ' GLN . 29.9 Cg_exo -62.8 -6.8 9.85 Favored 'Trans proline' 0 C--N 1.351 0.66 0 C-N-CA 123.566 2.844 . . . . 0.0 113.669 -177.039 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 79' ' ' GLN . . . . . . . . . . . . . 16.8 mm100 -84.49 -4.49 58.97 Favored 'General case' 0 C--N 1.325 -0.476 0 CA-C-O 120.951 0.405 . . . . 0.0 110.108 176.058 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 80' ' ' GLY . . . . . 0.452 ' HA2' ' HG2' ' A' ' 36' ' ' MET . . . 92.5 39.01 5.44 Favored Glycine 0 N--CA 1.446 -0.697 0 CA-C-N 115.852 -0.613 . . . . 0.0 111.868 -179.997 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 81' ' ' GLN . . . . . 0.423 ' HA ' ' O ' ' A' ' 37' ' ' GLN . 51.8 mt-30 -133.3 130.87 39.5 Favored 'General case' 0 C--N 1.326 -0.443 0 CA-C-O 120.728 0.299 . . . . 0.0 110.867 -176.542 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 82' ' ' ILE . . . . . . . . . . . . . 51.7 mt -96.44 107.6 20.02 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.676 0 N-CA-C 109.451 -0.574 . . . . 0.0 109.451 175.247 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 83' ' ' VAL . . . . . . . . . . . . . 24.8 t -108.39 126.06 65.13 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.562 0 CA-C-N 116.306 -0.406 . . . . 0.0 110.393 -177.982 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 84' ' ' LEU . . . . . . . . . . . . . 21.5 tp -87.06 144.99 26.64 Favored 'General case' 0 C--N 1.322 -0.603 0 N-CA-C 109.461 -0.57 . . . . 0.0 109.461 178.066 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 85' ' ' SER . . . . . . . . . . . . . 47.7 m -143.57 143.29 31.44 Favored 'General case' 0 C--N 1.322 -0.589 0 CA-C-O 121.304 0.573 . . . . 0.0 111.425 -178.393 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 86' ' ' ARG . . . . . . . . . . . . . 38.9 ttm180 -102.7 76.38 1.5 Allowed 'General case' 0 C--N 1.324 -0.527 0 N-CA-C 108.775 -0.824 . . . . 0.0 108.775 177.233 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 87' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.324 -0.539 0 CA-C-N 115.34 -0.845 . . . . 0.0 111.292 -174.641 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 34.2 tt0 . . . . . 0 N--CA 1.454 -0.238 0 CA-C-O 120.734 0.302 . . . . 0.0 110.955 . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild core ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 13.9 pt20 -97.14 122.81 40.57 Favored 'General case' 0 C--N 1.323 -0.567 0 CA-C-O 121.091 0.472 . . . . 0.0 109.976 176.728 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 14' ' ' LYS . . . . . 0.552 ' O ' ' HA ' ' A' ' 56' ' ' SER . 30.2 mmmt -116.49 147.53 41.66 Favored 'General case' 0 C--N 1.321 -0.672 0 N-CA-C 109.64 -0.504 . . . . 0.0 109.64 -178.706 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 15' ' ' ASN . . . . . . . . . . . . . 27.0 t-20 -81.28 102.73 10.58 Favored 'General case' 0 C--N 1.321 -0.644 0 CA-C-O 120.973 0.416 . . . . 0.0 109.902 179.664 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 16' ' ' PHE . . . . . 0.401 ' CZ ' ' HB2' ' A' ' 14' ' ' LYS . 80.5 m-85 -99.26 150.45 22.09 Favored 'General case' 0 C--N 1.322 -0.623 0 CA-C-N 115.993 -0.549 . . . . 0.0 110.551 -178.522 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 2.1 p-10 -138.7 89.13 2.34 Favored 'General case' 0 C--N 1.324 -0.537 0 CA-C-O 121.583 0.706 . . . . 0.0 110.217 178.911 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 18' ' ' ILE . . . . . 0.407 HG12 HD12 ' A' ' 53' ' ' LEU . 19.4 mm -115.16 109.27 27.78 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.51 0 CA-C-N 115.888 -0.597 . . . . 0.0 110.718 -176.524 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -73.52 161.23 30.6 Favored 'General case' 0 C--N 1.324 -0.531 0 N-CA-C 108.29 -1.004 . . . . 0.0 108.29 169.507 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -68.0 101.34 1.11 Allowed 'General case' 0 C--N 1.328 -0.337 0 CA-C-O 121.617 0.722 . . . . 0.0 110.212 -176.414 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 21' ' ' GLN . . . . . . . . . . . . . 40.5 mt-30 -106.9 165.1 13.47 Favored Pre-proline 0 C--N 1.319 -0.747 0 CA-C-N 114.609 -1.178 . . . . 0.0 109.591 175.898 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 22' ' ' PRO . . . . . . . . . . . . . 36.2 Cg_exo -61.18 129.27 27.89 Favored 'Trans proline' 0 N--CA 1.461 -0.389 0 C-N-CA 121.553 1.502 . . . . 0.0 109.433 167.662 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 23' ' ' LEU . . . . . 0.47 HD12 ' HB3' ' A' ' 48' ' ' MET . 11.3 mt -51.64 -31.42 25.25 Favored 'General case' 0 CA--C 1.529 0.148 0 N-CA-C 113.565 0.95 . . . . 0.0 113.565 -168.042 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 71.1 mt-30 -63.64 -47.9 79.43 Favored 'General case' 0 C--N 1.326 -0.439 0 CA-C-O 121.181 0.515 . . . . 0.0 110.718 178.446 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 7.7 m -84.74 -24.18 28.94 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-N 115.795 -0.638 . . . . 0.0 110.71 -178.732 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -59.66 -52.98 63.2 Favored 'General case' 0 CA--C 1.517 -0.288 0 CA-C-O 121.253 0.549 . . . . 0.0 110.612 177.157 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 27' ' ' MET . . . . . 0.497 ' O ' ' HB3' ' A' ' 31' ' ' ALA . 22.9 mmt -74.89 -14.24 60.64 Favored 'General case' 0 C--O 1.218 -0.57 0 CA-C-N 115.476 -0.784 . . . . 0.0 110.556 -179.113 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 28' ' ' LEU . . . . . 0.479 ' O ' ' HG3' ' A' ' 32' ' ' GLU . 63.7 tp -66.93 -60.04 2.98 Favored 'General case' 0 C--N 1.318 -0.795 0 N-CA-C 108.592 -0.892 . . . . 0.0 108.592 170.737 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 29' ' ' ARG . . . . . 0.548 ' HA ' ' NE ' ' A' ' 29' ' ' ARG . 1.4 mmp_? -56.89 -46.66 81.76 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 121.04 0.447 . . . . 0.0 111.39 179.246 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 22.5 t80 -68.26 -57.21 6.34 Favored 'General case' 0 C--N 1.323 -0.573 0 CA-C-N 115.801 -0.636 . . . . 0.0 111.898 -178.16 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 31' ' ' ALA . . . . . 0.497 ' HB3' ' O ' ' A' ' 27' ' ' MET . . . -78.18 -17.88 56.22 Favored 'General case' 0 C--N 1.322 -0.593 0 N-CA-C 112.304 0.483 . . . . 0.0 112.304 -169.332 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 32' ' ' GLU . . . . . 0.479 ' HG3' ' O ' ' A' ' 28' ' ' LEU . 31.2 mt-10 -55.07 -37.86 67.32 Favored 'General case' 0 N--CA 1.471 0.58 0 CA-C-O 121.39 0.614 . . . . 0.0 109.515 170.644 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 33' ' ' GLN . . . . . . . . . . . . . 45.9 mt-30 -79.24 -21.28 46.41 Favored 'General case' 0 C--N 1.325 -0.465 0 CA-C-N 115.05 -0.977 . . . . 0.0 110.824 179.914 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -101.68 9.14 41.29 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-N 116.147 -0.479 . . . . 0.0 111.655 -178.646 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 64.54 36.55 93.3 Favored Glycine 0 CA--C 1.519 0.287 0 CA-C-N 116.099 -0.5 . . . . 0.0 112.919 178.114 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 36' ' ' MET . . . . . . . . . . . . . 73.9 mtm -146.83 176.5 9.83 Favored 'General case' 0 C--N 1.326 -0.443 0 N-CA-C 109.876 -0.416 . . . . 0.0 109.876 -178.064 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 37' ' ' GLN . . . . . . . . . . . . . 25.1 mt-30 -153.5 154.88 35.2 Favored 'General case' 0 C--N 1.327 -0.372 0 N-CA-C 109.996 -0.372 . . . . 0.0 109.996 172.29 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 38' ' ' VAL . . . . . 0.433 ' CG1' ' HB2' ' A' ' 27' ' ' MET . 7.6 p -78.14 117.51 23.58 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.36 0 CA-C-O 121.306 0.574 . . . . 0.0 110.09 179.288 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 39' ' ' PHE . . . . . . . . . . . . . 55.7 t80 -122.29 135.46 54.74 Favored 'General case' 0 C--N 1.32 -0.708 0 CA-C-N 116.034 -0.53 . . . . 0.0 110.312 -176.473 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 40' ' ' PHE . . . . . . . . . . . . . 19.1 p90 -147.07 143.68 28.52 Favored 'General case' 0 C--N 1.319 -0.753 0 CA-C-N 115.625 -0.716 . . . . 0.0 109.77 178.884 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 9.1 m-20 -73.62 -168.63 0.59 Allowed 'General case' 0 C--N 1.326 -0.45 0 CA-C-N 115.723 -0.672 . . . . 0.0 110.688 -179.168 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 46.2 mt-10 -62.35 94.53 0.06 Allowed 'General case' 0 C--N 1.328 -0.337 0 CA-C-O 121.255 0.55 . . . . 0.0 111.814 179.892 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 43' ' ' VAL . . . . . . . . . . . . . 7.1 p -150.72 134.97 8.82 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.767 0 CA-C-N 115.418 -0.81 . . . . 0.0 109.057 175.707 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 39.4 ttpt -79.12 110.74 14.65 Favored 'General case' 0 C--N 1.322 -0.621 0 CA-C-O 120.833 0.349 . . . . 0.0 110.294 -178.098 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 82.1 mt -115.22 100.11 7.9 Favored 'General case' 0 C--N 1.322 -0.62 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.107 179.397 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 17.6 t70 -112.28 133.13 54.57 Favored 'General case' 0 C--N 1.323 -0.563 0 CA-C-N 116.038 -0.528 . . . . 0.0 110.28 179.674 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 81.99 22.21 59.8 Favored Glycine 0 N--CA 1.448 -0.528 0 C-N-CA 120.72 -0.753 . . . . 0.0 112.848 177.424 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 48' ' ' MET . . . . . 0.47 ' HB3' HD12 ' A' ' 23' ' ' LEU . 18.9 mmt -80.62 118.37 22.13 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-O 121.041 0.448 . . . . 0.0 110.027 178.113 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 8.7 tt0 -131.72 143.82 50.54 Favored 'General case' 0 C--N 1.324 -0.521 0 CA-C-N 115.822 -0.627 . . . . 0.0 110.115 -174.089 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -83.02 153.03 25.15 Favored 'General case' 0 C--N 1.325 -0.495 0 CA-C-N 116.03 -0.532 . . . . 0.0 110.969 -178.121 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -88.37 169.27 11.96 Favored 'General case' 0 C--N 1.324 -0.5 0 CA-C-N 115.745 -0.662 . . . . 0.0 111.063 -179.841 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -68.52 104.65 1.98 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 115.965 -0.561 . . . . 0.0 110.96 -179.513 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 53' ' ' LEU . . . . . 0.463 ' CB ' HD13 ' A' ' 66' ' ' LEU . 3.4 tm? -121.16 108.12 13.4 Favored 'General case' 0 C--N 1.322 -0.609 0 CA-C-N 115.865 -0.607 . . . . 0.0 109.742 -178.304 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 54' ' ' ASN . . . . . . . . . . . . . 7.2 t30 -149.01 98.87 2.9 Favored 'General case' 0 C--N 1.323 -0.574 0 CA-C-N 116.033 -0.53 . . . . 0.0 109.739 177.35 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . 177.94 174.1 43.96 Favored Glycine 0 N--CA 1.447 -0.601 0 C-N-CA 120.777 -0.725 . . . . 0.0 112.096 -179.407 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 56' ' ' SER . . . . . 0.552 ' HA ' ' O ' ' A' ' 14' ' ' LYS . 24.5 t -97.9 104.33 16.35 Favored 'General case' 0 C--N 1.322 -0.587 0 N-CA-C 109.822 -0.436 . . . . 0.0 109.822 176.696 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 57' ' ' MET . . . . . 0.449 ' SD ' ' HA2' ' A' ' 62' ' ' GLY . 20.7 ptp -150.83 173.0 14.74 Favored 'General case' 0 C--N 1.323 -0.559 0 CA-C-N 116.297 -0.41 . . . . 0.0 110.418 -177.708 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 48.2 m -92.57 166.97 12.24 Favored 'General case' 0 C--N 1.325 -0.482 0 CA-C-N 116.394 -0.366 . . . . 0.0 111.084 -178.814 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 59' ' ' VAL . . . . . 0.406 ' O ' HD23 ' A' ' 63' ' ' LEU . 96.9 t -52.39 -48.2 45.61 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.411 0 O-C-N 123.42 0.45 . . . . 0.0 111.272 -179.431 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 60' ' ' GLU . . . . . 0.474 ' O ' ' HG3' ' A' ' 64' ' ' ARG . 20.4 mp0 -55.81 -33.86 64.81 Favored 'General case' 0 C--N 1.326 -0.438 0 CA-C-N 116.061 -0.518 . . . . 0.0 111.959 -178.41 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 61' ' ' GLN . . . . . . . . . . . . . 16.3 mm100 -89.52 -42.21 11.58 Favored 'General case' 0 C--N 1.324 -0.529 0 CA-C-O 120.684 0.278 . . . . 0.0 110.918 -177.226 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 62' ' ' GLY . . . . . 0.449 ' HA2' ' SD ' ' A' ' 57' ' ' MET . . . -62.59 -49.72 70.9 Favored Glycine 0 N--CA 1.448 -0.56 0 C-N-CA 121.094 -0.574 . . . . 0.0 112.579 -176.93 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 63' ' ' LEU . . . . . 0.615 HD12 HD11 ' A' ' 67' ' ' ILE . 4.4 mm? -60.17 -33.98 72.96 Favored 'General case' 0 C--N 1.327 -0.382 0 N-CA-C 111.576 0.214 . . . . 0.0 111.576 -177.097 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 64' ' ' ARG . . . . . 0.474 ' HG3' ' O ' ' A' ' 60' ' ' GLU . 52.2 mtt180 -57.29 -50.13 73.88 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-O 120.877 0.37 . . . . 0.0 110.957 -179.479 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 65' ' ' ARG . . . . . . . . . . . . . 71.0 mtp180 -79.07 -38.11 37.16 Favored 'General case' 0 C--N 1.322 -0.61 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.261 -179.642 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 66' ' ' LEU . . . . . 0.463 HD13 ' CB ' ' A' ' 53' ' ' LEU . 46.0 tp -69.4 -37.28 77.42 Favored 'General case' 0 C--N 1.324 -0.526 0 N-CA-C 112.984 0.735 . . . . 0.0 112.984 -170.898 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 67' ' ' ILE . . . . . 0.615 HD11 HD12 ' A' ' 63' ' ' LEU . 43.2 mt -80.84 -65.02 0.85 Allowed 'Isoleucine or valine' 0 C--N 1.331 -0.214 0 N-CA-C 113.206 0.817 . . . . 0.0 113.206 -171.782 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . -114.2 -63.25 0.41 Allowed Glycine 0 N--CA 1.449 -0.494 0 C-N-CA 118.905 -1.617 . . . . 0.0 115.297 -167.267 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . 83.18 -15.32 34.25 Favored Glycine 0 CA--C 1.521 0.432 0 N-CA-C 110.259 -1.136 . . . . 0.0 110.259 -166.352 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 70' ' ' ASN . . . . . . . . . . . . . 72.3 m-20 -100.68 165.68 13.88 Favored Pre-proline 0 C--N 1.328 -0.338 0 N-CA-C 108.827 -0.805 . . . . 0.0 108.827 176.674 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 71' ' ' PRO . . . . . . . . . . . . . 17.5 Cg_exo -67.31 95.45 0.38 Allowed 'Trans proline' 0 C--N 1.346 0.414 0 C-N-CA 121.723 1.615 . . . . 0.0 111.659 176.708 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 72' ' ' VAL . . . . . . . . . . . . . 12.4 p -152.49 160.39 3.27 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.607 0 N-CA-C 108.216 -1.031 . . . . 0.0 108.216 178.0 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 73' ' ' ALA . . . . . 0.433 ' HB3' HD23 ' A' ' 87' ' ' LEU . . . -122.24 142.08 50.82 Favored 'General case' 0 C--N 1.32 -0.695 0 CA-C-O 121.031 0.444 . . . . 0.0 111.529 -177.978 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 74' ' ' PHE . . . . . . . . . . . . . 15.6 p90 -106.17 126.34 52.09 Favored 'General case' 0 C--N 1.318 -0.772 0 CA-C-N 115.856 -0.611 . . . . 0.0 110.135 174.408 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 75' ' ' ARG . . . . . 0.44 HH11 ' HD3' ' A' ' 75' ' ' ARG . 15.9 ttm180 -107.08 115.95 31.07 Favored 'General case' 0 C--N 1.321 -0.664 0 CA-C-N 116.05 -0.523 . . . . 0.0 109.759 -179.177 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 76' ' ' LEU . . . . . . . . . . . . . 94.2 mt -86.57 103.26 14.9 Favored 'General case' 0 C--N 1.323 -0.564 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.746 -178.764 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 77' ' ' GLN . . . . . . . . . . . . . 13.5 mm100 -72.97 130.01 85.66 Favored Pre-proline 0 C--N 1.323 -0.545 0 N-CA-C 109.344 -0.613 . . . . 0.0 109.344 177.391 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 78' ' ' PRO . . . . . . . . . . . . . 37.0 Cg_exo -61.39 -13.29 28.15 Favored 'Trans proline' 0 C--N 1.347 0.468 0 C-N-CA 122.852 2.368 . . . . 0.0 111.77 177.171 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 79' ' ' GLN . . . . . . . . . . . . . 36.7 mt-30 -69.66 -21.42 63.53 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 115.154 -0.93 . . . . 0.0 110.357 175.871 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . 107.74 33.34 3.1 Favored Glycine 0 N--CA 1.448 -0.527 0 C-N-CA 120.981 -0.628 . . . . 0.0 112.293 -179.202 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 81' ' ' GLN . . . . . . . . . . . . . 98.8 mt-30 -127.58 141.26 51.68 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-O 120.845 0.355 . . . . 0.0 111.099 -178.024 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 82' ' ' ILE . . . . . . . . . . . . . 56.3 mt -103.36 99.43 8.39 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.708 0 N-CA-C 108.926 -0.768 . . . . 0.0 108.926 173.508 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 83' ' ' VAL . . . . . . . . . . . . . 41.4 t -110.3 129.54 65.17 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.638 0 CA-C-N 116.045 -0.525 . . . . 0.0 109.887 -178.16 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 84' ' ' LEU . . . . . . . . . . . . . 9.9 mp -82.07 145.77 30.01 Favored 'General case' 0 C--N 1.321 -0.664 0 CA-C-O 121.177 0.513 . . . . 0.0 111.026 -178.837 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 85' ' ' SER . . . . . . . . . . . . . 21.4 m -133.4 159.09 41.36 Favored 'General case' 0 C--N 1.319 -0.727 0 CA-C-N 115.681 -0.691 . . . . 0.0 109.633 -179.804 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 86' ' ' ARG . . . . . . . . . . . . . 56.2 ttt180 -100.7 103.13 14.38 Favored 'General case' 0 C--N 1.325 -0.478 0 CA-C-O 121.072 0.463 . . . . 0.0 110.735 -179.547 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 87' ' ' LEU . . . . . 0.433 HD23 ' HB3' ' A' ' 73' ' ' ALA . 3.6 mm? . . . . . 0 C--N 1.321 -0.669 0 CA-C-N 115.791 -0.64 . . . . 0.0 110.121 177.789 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 8.5 tt0 . . . . . 0 N--CA 1.453 -0.289 0 CA-C-O 121.006 0.431 . . . . 0.0 110.425 . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild core ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 24.8 mt-30 -91.94 134.74 34.51 Favored 'General case' 0 C--N 1.322 -0.59 0 CA-C-N 115.98 -0.554 . . . . 0.0 109.784 178.242 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 14' ' ' LYS . . . . . 0.583 ' HB2' ' CE2' ' A' ' 16' ' ' PHE . 29.1 mmmt -108.72 149.32 29.17 Favored 'General case' 0 C--N 1.322 -0.612 0 N-CA-C 109.869 -0.419 . . . . 0.0 109.869 -175.307 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 15' ' ' ASN . . . . . . . . . . . . . 4.4 m-20 -80.44 99.45 8.0 Favored 'General case' 0 C--N 1.321 -0.673 0 CA-C-N 116.461 -0.336 . . . . 0.0 110.482 -178.781 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 16' ' ' PHE . . . . . 0.583 ' CE2' ' HB2' ' A' ' 14' ' ' LYS . 59.6 m-85 -103.18 136.97 41.98 Favored 'General case' 0 C--N 1.324 -0.542 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.039 -179.158 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 15.6 m120 -137.91 89.82 2.44 Favored 'General case' 0 C--N 1.325 -0.477 0 CA-C-N 115.74 -0.664 . . . . 0.0 109.733 179.42 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 18' ' ' ILE . . . . . 0.409 ' HB ' ' HB3' ' A' ' 53' ' ' LEU . 17.0 mm -112.65 110.05 30.8 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.689 0 CA-C-N 115.801 -0.636 . . . . 0.0 110.368 -175.362 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 19' ' ' ALA . . . . . 0.414 ' O ' ' HG3' ' A' ' 21' ' ' GLN . . . -67.45 158.45 31.78 Favored 'General case' 0 C--N 1.325 -0.486 0 N-CA-C 109.233 -0.654 . . . . 0.0 109.233 173.32 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -69.29 102.35 1.71 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 121.322 0.582 . . . . 0.0 110.714 -176.35 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 21' ' ' GLN . . . . . 0.414 ' HG3' ' O ' ' A' ' 19' ' ' ALA . 67.8 mt-30 -106.96 172.55 3.75 Favored Pre-proline 0 C--N 1.323 -0.584 0 CA-C-N 115.049 -0.978 . . . . 0.0 110.612 179.119 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 22' ' ' PRO . . . . . . . . . . . . . 35.0 Cg_exo -59.65 130.04 33.56 Favored 'Trans proline' 0 C--N 1.349 0.568 0 C-N-CA 121.857 1.705 . . . . 0.0 109.369 165.337 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -49.31 -43.51 43.54 Favored 'General case' 0 N--CA 1.469 0.495 0 N-CA-C 112.987 0.736 . . . . 0.0 112.987 -167.339 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 24' ' ' GLN . . . . . 0.574 ' O ' ' HG ' ' A' ' 28' ' ' LEU . 80.2 mt-30 -62.74 -50.24 71.87 Favored 'General case' 0 C--N 1.325 -0.47 0 CA-C-O 120.728 0.299 . . . . 0.0 110.696 -179.111 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 17.5 m -72.19 -25.37 61.65 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-O 120.985 0.421 . . . . 0.0 110.826 179.946 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -56.47 -54.8 41.47 Favored 'General case' 0 CA--C 1.512 -0.507 0 CA-C-N 115.611 -0.722 . . . . 0.0 111.213 179.489 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 27' ' ' MET . . . . . 0.633 ' HB2' ' CG1' ' A' ' 38' ' ' VAL . 18.9 mmt -78.41 -13.69 59.73 Favored 'General case' 0 C--N 1.318 -0.804 0 CA-C-N 115.207 -0.906 . . . . 0.0 111.058 -173.728 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 28' ' ' LEU . . . . . 0.574 ' HG ' ' O ' ' A' ' 24' ' ' GLN . 77.1 mt -70.47 -24.07 62.8 Favored 'General case' 0 C--N 1.324 -0.536 0 C-N-CA 119.998 -0.681 . . . . 0.0 109.289 172.59 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 29' ' ' ARG . . . . . 0.586 ' NE ' ' HA ' ' A' ' 29' ' ' ARG . 2.4 mmp_? -84.97 -50.46 7.46 Favored 'General case' 0 C--N 1.325 -0.484 0 CA-C-N 116.292 -0.413 . . . . 0.0 110.074 173.949 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 30' ' ' PHE . . . . . 0.449 ' HB3' ' HA ' ' A' ' 27' ' ' MET . 38.4 t80 -62.1 -55.93 23.93 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 115.833 -0.621 . . . . 0.0 111.648 179.896 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -72.29 -42.77 65.13 Favored 'General case' 0 C--N 1.322 -0.629 0 CA-C-N 116.141 -0.481 . . . . 0.0 112.103 -171.467 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 32' ' ' GLU . . . . . 0.485 ' HB2' ' O ' ' A' ' 28' ' ' LEU . 5.3 mm-40 -65.3 -22.72 66.87 Favored 'General case' 0 N--CA 1.465 0.316 0 C-N-CA 120.567 -0.453 . . . . 0.0 111.25 -176.66 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 33' ' ' GLN . . . . . . . . . . . . . 24.9 mm-40 -79.17 -29.49 43.02 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-O 120.992 0.425 . . . . 0.0 110.366 173.327 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -89.32 -9.85 48.95 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.006 -0.543 . . . . 0.0 111.546 179.624 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 97.32 27.79 9.01 Favored Glycine 0 CA--C 1.52 0.399 0 C-N-CA 121.059 -0.591 . . . . 0.0 112.704 178.851 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 36' ' ' MET . . . . . . . . . . . . . 71.8 mtm -136.69 175.56 9.5 Favored 'General case' 0 C--N 1.324 -0.522 0 C-N-CA 122.6 0.36 . . . . 0.0 110.392 -178.787 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 37' ' ' GLN . . . . . 0.513 ' O ' ' HA ' ' A' ' 81' ' ' GLN . 53.7 tt0 -152.57 160.95 43.18 Favored 'General case' 0 C--N 1.324 -0.537 0 N-CA-C 109.025 -0.731 . . . . 0.0 109.025 176.878 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 38' ' ' VAL . . . . . 0.633 ' CG1' ' HB2' ' A' ' 27' ' ' MET . 31.6 m -76.97 145.54 10.05 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.389 0 CA-C-O 120.806 0.336 . . . . 0.0 111.227 -176.578 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 39' ' ' PHE . . . . . 0.435 ' HB2' ' HB3' ' A' ' 81' ' ' GLN . 92.5 t80 -115.04 98.62 6.91 Favored 'General case' 0 C--N 1.324 -0.529 0 N-CA-C 109.645 -0.502 . . . . 0.0 109.645 174.683 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 40' ' ' PHE . . . . . . . . . . . . . 93.1 m-85 -146.92 137.1 23.48 Favored 'General case' 0 C--N 1.321 -0.649 0 CA-C-N 115.638 -0.71 . . . . 0.0 109.595 179.013 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 8.7 p-10 -83.77 -159.64 0.39 Allowed 'General case' 0 C--N 1.325 -0.475 0 N-CA-C 109.411 -0.588 . . . . 0.0 109.411 177.107 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 46.4 mt-10 -67.34 89.07 0.2 Allowed 'General case' 0 C--N 1.325 -0.458 0 CA-C-O 121.179 0.514 . . . . 0.0 110.599 179.208 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 43' ' ' VAL . . . . . . . . . . . . . 7.0 p -123.02 121.27 62.75 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.68 0 CA-C-N 115.806 -0.633 . . . . 0.0 109.613 177.849 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 27.1 ttpp -125.32 100.66 6.61 Favored 'General case' 0 C--N 1.318 -0.771 0 CA-C-N 115.962 -0.563 . . . . 0.0 110.145 -177.216 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 35.0 tp -131.55 120.06 22.37 Favored 'General case' 0 C--N 1.321 -0.636 0 CA-C-N 116.043 -0.526 . . . . 0.0 110.163 -178.164 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 32.3 t70 -72.81 120.37 18.34 Favored 'General case' 0 C--N 1.323 -0.56 0 CA-C-N 116.318 -0.401 . . . . 0.0 110.228 179.693 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 123.41 4.13 8.39 Favored Glycine 0 N--CA 1.443 -0.861 0 C-N-CA 120.71 -0.757 . . . . 0.0 112.317 -177.839 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 48' ' ' MET . . . . . . . . . . . . . 53.5 mtt -75.65 117.73 17.73 Favored 'General case' 0 C--N 1.327 -0.374 0 N-CA-C 109.703 -0.48 . . . . 0.0 109.703 174.727 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 3.6 pt20 -153.21 155.47 36.7 Favored 'General case' 0 C--N 1.322 -0.626 0 CA-C-N 116.491 -0.322 . . . . 0.0 110.327 -176.42 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -102.09 145.95 28.62 Favored 'General case' 0 C--N 1.32 -0.708 0 CA-C-N 116.123 -0.489 . . . . 0.0 110.464 178.849 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -78.17 160.52 27.95 Favored 'General case' 0 C--N 1.323 -0.573 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.281 177.067 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -69.3 92.68 0.59 Allowed 'General case' 0 C--N 1.327 -0.4 0 CA-C-O 121.173 0.511 . . . . 0.0 111.154 -178.5 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 53' ' ' LEU . . . . . 0.409 ' HB3' ' HB ' ' A' ' 18' ' ' ILE . 3.0 tm? -91.38 123.81 35.09 Favored 'General case' 0 C--N 1.324 -0.541 0 CA-C-N 115.572 -0.74 . . . . 0.0 109.802 -179.201 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 54' ' ' ASN . . . . . . . . . . . . . 20.3 p-10 -157.76 99.19 1.69 Allowed 'General case' 0 C--N 1.322 -0.596 0 CA-C-O 121.327 0.584 . . . . 0.0 110.49 176.43 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . 178.37 161.63 26.66 Favored Glycine 0 N--CA 1.445 -0.766 0 C-N-CA 120.335 -0.935 . . . . 0.0 112.624 179.29 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 4.0 p -84.08 99.71 10.64 Favored 'General case' 0 C--N 1.321 -0.651 0 CA-C-O 121.13 0.49 . . . . 0.0 109.772 174.211 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 57' ' ' MET . . . . . 0.46 ' HB2' ' HB2' ' A' ' 61' ' ' GLN . 23.1 ptp -155.2 168.52 26.78 Favored 'General case' 0 C--N 1.322 -0.616 0 CA-C-N 115.922 -0.581 . . . . 0.0 110.146 -174.483 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 13.3 m -99.2 178.0 5.04 Favored 'General case' 0 C--N 1.322 -0.619 0 CA-C-N 116.45 -0.341 . . . . 0.0 110.552 179.789 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 59' ' ' VAL . . . . . . . . . . . . . 24.9 t -58.85 -40.46 80.08 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.293 0 CA-C-O 120.585 0.231 . . . . 0.0 111.152 -175.774 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 22.3 mm-40 -51.67 -38.4 54.78 Favored 'General case' 0 C--N 1.331 -0.213 0 CA-C-N 115.912 -0.585 . . . . 0.0 111.589 178.671 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 61' ' ' GLN . . . . . 0.46 ' HB2' ' HB2' ' A' ' 57' ' ' MET . 32.0 mt-30 -90.95 -47.46 7.57 Favored 'General case' 0 C--N 1.323 -0.577 0 CA-C-N 115.721 -0.672 . . . . 0.0 110.49 -177.555 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 62' ' ' GLY . . . . . 0.452 ' O ' ' HB2' ' A' ' 66' ' ' LEU . . . -63.88 -59.92 7.97 Favored Glycine 0 C--O 1.225 -0.418 0 CA-C-N 115.303 -0.862 . . . . 0.0 113.034 -174.789 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 63' ' ' LEU . . . . . 0.469 ' O ' HD13 ' A' ' 63' ' ' LEU . 1.3 tm? -56.73 -38.16 71.98 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-O 121.386 0.612 . . . . 0.0 109.782 -177.478 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 64' ' ' ARG . . . . . . . . . . . . . 47.4 ttt180 -51.12 -60.14 3.42 Favored 'General case' 0 N--CA 1.446 -0.666 0 CA-C-N 114.9 -1.046 . . . . 0.0 111.446 177.92 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 65' ' ' ARG . . . . . . . . . . . . . 96.7 mtt180 -77.46 -22.31 51.59 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 116.373 -0.376 . . . . 0.0 111.294 -178.236 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 66' ' ' LEU . . . . . 0.452 ' HB2' ' O ' ' A' ' 62' ' ' GLY . 1.0 OUTLIER -65.5 -41.53 93.14 Favored 'General case' 0 C--N 1.323 -0.554 0 CA-C-N 115.872 -0.603 . . . . 0.0 112.247 -176.122 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 67' ' ' ILE . . . . . 0.416 HG21 ' CD1' ' A' ' 84' ' ' LEU . 13.8 mt -90.05 -63.56 1.34 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 N-CA-C 113.541 0.941 . . . . 0.0 113.541 -170.819 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . -113.51 -61.61 0.42 Allowed Glycine 0 N--CA 1.448 -0.531 0 C-N-CA 119.095 -1.526 . . . . 0.0 114.563 -169.042 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . 91.16 -20.71 38.54 Favored Glycine 0 N--CA 1.45 -0.368 0 N-CA-C 109.885 -1.286 . . . . 0.0 109.885 -166.136 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 70' ' ' ASN . . . . . . . . . . . . . 16.7 m120 -101.54 155.91 35.81 Favored Pre-proline 0 C--N 1.329 -0.306 0 CA-C-N 114.77 -0.715 . . . . 0.0 109.595 176.153 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 71' ' ' PRO . . . . . . . . . . . . . 30.7 Cg_endo -64.69 98.21 0.29 Allowed 'Trans proline' 0 C--N 1.346 0.414 0 C-N-CA 122.625 2.217 . . . . 0.0 113.515 -177.861 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 72' ' ' VAL . . . . . . . . . . . . . 0.2 OUTLIER -138.3 159.8 32.12 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.4 0 N-CA-C 107.01 -1.478 . . . . 0.0 107.01 171.977 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 73' ' ' ALA . . . . . 0.411 ' HB3' HD23 ' A' ' 87' ' ' LEU . . . -113.71 119.26 36.78 Favored 'General case' 0 C--N 1.325 -0.483 0 CA-C-N 118.697 0.681 . . . . 0.0 112.23 -168.85 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 74' ' ' PHE . . . . . 0.467 ' CD2' HD12 ' A' ' 63' ' ' LEU . 35.3 p90 -113.27 151.47 31.06 Favored 'General case' 0 C--N 1.322 -0.6 0 N-CA-C 109.682 -0.488 . . . . 0.0 109.682 177.317 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 75' ' ' ARG . . . . . . . . . . . . . 20.4 ptp180 -136.74 137.68 40.15 Favored 'General case' 0 C--N 1.325 -0.496 0 C-N-CA 120.626 -0.429 . . . . 0.0 110.442 -179.824 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 76' ' ' LEU . . . . . 0.449 HD12 HG12 ' A' ' 82' ' ' ILE . 1.8 mm? -95.83 103.52 15.41 Favored 'General case' 0 C--N 1.323 -0.549 0 N-CA-C 109.389 -0.597 . . . . 0.0 109.389 179.008 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 77' ' ' GLN . . . . . . . . . . . . . 11.9 mm100 -67.96 144.29 97.01 Favored Pre-proline 0 C--N 1.323 -0.578 0 CA-C-N 116.367 -0.378 . . . . 0.0 110.331 -178.725 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 78' ' ' PRO . . . . . . . . . . . . . 35.1 Cg_endo -64.98 -7.13 14.31 Favored 'Trans proline' 0 C--N 1.349 0.569 0 C-N-CA 123.165 2.577 . . . . 0.0 112.984 -174.826 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 79' ' ' GLN . . . . . . . . . . . . . 24.9 mt-30 -86.92 -3.25 59.06 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-O 121.246 0.546 . . . . 0.0 110.004 175.389 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . 86.8 49.15 4.18 Favored Glycine 0 N--CA 1.443 -0.873 0 CA-C-N 115.622 -0.717 . . . . 0.0 111.64 -177.618 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 81' ' ' GLN . . . . . 0.513 ' HA ' ' O ' ' A' ' 37' ' ' GLN . 35.8 mt-30 -126.91 136.34 52.17 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-O 120.789 0.328 . . . . 0.0 110.903 -178.287 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 82' ' ' ILE . . . . . 0.449 HG12 HD12 ' A' ' 76' ' ' LEU . 39.9 mt -102.22 118.19 48.7 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.617 0 CA-C-N 115.967 -0.561 . . . . 0.0 109.764 175.542 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 83' ' ' VAL . . . . . . . . . . . . . 12.5 p -134.21 140.98 44.96 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.592 0 CA-C-O 121.069 0.461 . . . . 0.0 110.527 178.641 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 84' ' ' LEU . . . . . 0.48 HD23 ' N ' ' A' ' 85' ' ' SER . 1.6 tt -108.82 135.02 50.72 Favored 'General case' 0 N--CA 1.444 -0.765 0 N-CA-C 109.185 -0.672 . . . . 0.0 109.185 -177.415 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 85' ' ' SER . . . . . 0.48 ' N ' HD23 ' A' ' 84' ' ' LEU . 10.9 p -122.21 128.37 51.1 Favored 'General case' 0 C--N 1.322 -0.63 0 N-CA-C 109.592 -0.521 . . . . 0.0 109.592 179.353 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 86' ' ' ARG . . . . . . . . . . . . . 50.5 ttp180 -88.53 95.15 10.12 Favored 'General case' 0 C--N 1.322 -0.616 0 CA-C-O 121.266 0.555 . . . . 0.0 110.633 -176.949 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 87' ' ' LEU . . . . . 0.428 HD13 ' HA ' ' A' ' 87' ' ' LEU . 3.2 mm? . . . . . 0 C--N 1.32 -0.683 0 CA-C-N 115.55 -0.75 . . . . 0.0 109.813 175.722 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 10.7 pt20 . . . . . 0 N--CA 1.453 -0.298 0 CA-C-O 121.064 0.459 . . . . 0.0 110.139 . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild core ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 26.8 mt-30 -96.03 117.22 30.24 Favored 'General case' 0 C--N 1.321 -0.673 0 CA-C-O 121.05 0.452 . . . . 0.0 110.604 178.556 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 14' ' ' LYS . . . . . 0.476 ' HB2' ' CE2' ' A' ' 16' ' ' PHE . 46.0 mmtm -109.85 146.37 35.19 Favored 'General case' 0 C--N 1.315 -0.904 0 CA-C-N 115.63 -0.714 . . . . 0.0 109.646 176.204 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 15' ' ' ASN . . . . . . . . . . . . . 4.8 m-20 -80.0 103.25 9.76 Favored 'General case' 0 C--N 1.322 -0.587 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.244 179.973 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 16' ' ' PHE . . . . . 0.476 ' CE2' ' HB2' ' A' ' 14' ' ' LYS . 68.2 m-85 -109.68 132.59 54.01 Favored 'General case' 0 C--N 1.321 -0.657 0 CA-C-N 115.851 -0.613 . . . . 0.0 110.745 -179.548 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 48.5 t-20 -143.07 100.56 3.66 Favored 'General case' 0 C--N 1.322 -0.615 0 N-CA-C 108.735 -0.839 . . . . 0.0 108.735 173.777 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 18' ' ' ILE . . . . . . . . . . . . . 5.6 mt -123.46 110.06 25.04 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.648 0 CA-C-N 116.065 -0.516 . . . . 0.0 110.42 -176.266 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -63.85 147.65 51.31 Favored 'General case' 0 C--N 1.326 -0.427 0 N-CA-C 108.991 -0.744 . . . . 0.0 108.991 172.333 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -63.36 103.41 0.5 Allowed 'General case' 0 C--N 1.33 -0.254 0 CA-C-O 121.602 0.715 . . . . 0.0 111.248 -173.383 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 21' ' ' GLN . . . . . 0.406 ' HB3' ' HD2' ' A' ' 22' ' ' PRO . 38.8 mt-30 -106.38 172.57 3.8 Favored Pre-proline 0 C--N 1.317 -0.821 0 CA-C-N 114.727 -1.124 . . . . 0.0 109.953 175.685 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 22' ' ' PRO . . . . . 0.406 ' HD2' ' HB3' ' A' ' 21' ' ' GLN . 69.7 Cg_exo -52.66 135.01 55.47 Favored 'Trans proline' 0 C--N 1.345 0.393 0 C-N-CA 121.819 1.68 . . . . 0.0 109.867 166.327 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -55.07 -34.58 63.73 Favored 'General case' 0 N--CA 1.463 0.21 0 CA-C-N 115.385 -0.825 . . . . 0.0 112.148 -168.35 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 18.1 mp0 -65.07 -47.0 78.83 Favored 'General case' 0 C--N 1.325 -0.462 0 CA-C-O 120.987 0.422 . . . . 0.0 110.174 179.718 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 12.7 m -74.81 -30.54 61.44 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-N 115.717 -0.674 . . . . 0.0 110.864 -178.404 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -56.78 -57.95 10.21 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 115.93 -0.577 . . . . 0.0 111.253 -179.268 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 27' ' ' MET . . . . . 0.641 ' HE3' ' HB3' ' A' ' 66' ' ' LEU . 10.8 mmt -82.73 -14.08 55.18 Favored 'General case' 0 CA--C 1.507 -0.676 0 CA-C-N 116.03 -0.532 . . . . 0.0 110.274 -177.409 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 28' ' ' LEU . . . . . 0.62 ' O ' ' HG3' ' A' ' 32' ' ' GLU . 9.7 tt -61.42 -47.83 83.96 Favored 'General case' 0 C--N 1.322 -0.596 0 N-CA-C 107.833 -1.173 . . . . 0.0 107.833 169.279 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 29' ' ' ARG . . . . . 0.437 ' HD3' ' OE1' ' A' ' 32' ' ' GLU . 25.7 mmt180 -64.03 -47.19 81.22 Favored 'General case' 0 C--N 1.331 -0.213 0 CA-C-N 116.035 -0.53 . . . . 0.0 111.596 178.791 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 30' ' ' PHE . . . . . 0.442 ' CE2' HD21 ' A' ' 63' ' ' LEU . 6.3 t80 -61.69 -56.21 22.18 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-O 121.133 0.492 . . . . 0.0 110.848 177.695 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 31' ' ' ALA . . . . . 0.405 ' HB1' ' HB2' ' A' ' 36' ' ' MET . . . -68.33 -17.45 64.26 Favored 'General case' 0 C--N 1.324 -0.529 0 CA-C-N 115.847 -0.615 . . . . 0.0 111.208 -174.053 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 32' ' ' GLU . . . . . 0.62 ' HG3' ' O ' ' A' ' 28' ' ' LEU . 18.9 mt-10 -55.86 -31.97 63.24 Favored 'General case' 0 N--CA 1.47 0.536 0 CA-C-O 120.95 0.405 . . . . 0.0 110.737 171.971 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 33' ' ' GLN . . . . . . . . . . . . . 70.7 mt-30 -84.19 -33.2 24.22 Favored 'General case' 0 C--N 1.325 -0.478 0 CA-C-O 121.011 0.434 . . . . 0.0 110.671 -179.315 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -85.22 -26.12 26.91 Favored 'General case' 0 C--N 1.323 -0.557 0 CA-C-N 115.932 -0.577 . . . . 0.0 111.829 -175.046 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 100.1 33.3 5.25 Favored Glycine 0 N--CA 1.45 -0.418 0 C-N-CA 121.138 -0.553 . . . . 0.0 112.08 -179.299 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 36' ' ' MET . . . . . 0.405 ' HB2' ' HB1' ' A' ' 31' ' ' ALA . 1.1 mpp? -135.5 176.65 8.49 Favored 'General case' 0 C--N 1.323 -0.55 0 CA-C-O 120.896 0.379 . . . . 0.0 110.832 -175.573 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 37' ' ' GLN . . . . . . . . . . . . . 36.0 tt0 -150.41 159.98 44.08 Favored 'General case' 0 C--N 1.323 -0.56 0 N-CA-C 108.985 -0.746 . . . . 0.0 108.985 177.461 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 38' ' ' VAL . . . . . 0.585 ' CG2' ' HB2' ' A' ' 27' ' ' MET . 60.1 t -77.44 133.13 31.31 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-O 120.666 0.27 . . . . 0.0 110.504 -178.241 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 39' ' ' PHE . . . . . . . . . . . . . 85.0 t80 -119.59 125.49 48.91 Favored 'General case' 0 C--N 1.326 -0.428 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.861 -179.885 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 40' ' ' PHE . . . . . . . . . . . . . 8.0 m-85 -90.31 101.06 13.78 Favored 'General case' 0 C--N 1.321 -0.638 0 CA-C-N 115.782 -0.644 . . . . 0.0 110.511 177.712 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 26.7 t70 -82.94 -67.79 0.76 Allowed 'General case' 0 C--N 1.326 -0.415 0 N-CA-C 109.634 -0.506 . . . . 0.0 109.634 177.381 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 42.0 mt-10 -136.79 87.79 2.32 Favored 'General case' 0 C--N 1.321 -0.642 0 CA-C-N 115.944 -0.571 . . . . 0.0 109.762 172.594 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 43' ' ' VAL . . . . . . . . . . . . . 5.1 p -165.04 119.83 0.12 Allowed 'Isoleucine or valine' 0 C--N 1.319 -0.728 0 CA-C-O 121.351 0.596 . . . . 0.0 110.834 179.433 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 26.9 ttpp -126.52 90.67 3.21 Favored 'General case' 0 C--N 1.321 -0.652 0 CA-C-N 115.627 -0.715 . . . . 0.0 109.584 177.521 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 89.1 mt -129.52 99.14 5.07 Favored 'General case' 0 C--N 1.32 -0.701 0 CA-C-N 115.95 -0.568 . . . . 0.0 109.952 -179.718 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 6.9 p-10 -73.63 131.15 41.37 Favored 'General case' 0 C--N 1.322 -0.587 0 N-CA-C 109.638 -0.504 . . . . 0.0 109.638 177.355 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 87.37 21.96 46.26 Favored Glycine 0 N--CA 1.445 -0.727 0 C-N-CA 120.5 -0.857 . . . . 0.0 112.189 -178.498 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 48' ' ' MET . . . . . . . . . . . . . 13.3 ptp -70.08 133.85 47.6 Favored 'General case' 0 C--O 1.234 0.252 0 CA-C-O 120.921 0.391 . . . . 0.0 110.407 177.891 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 79.1 mt-30 -132.04 165.57 23.69 Favored 'General case' 0 C--N 1.322 -0.587 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.88 -176.249 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -107.46 167.36 9.99 Favored 'General case' 0 C--N 1.321 -0.631 0 CA-C-N 115.77 -0.65 . . . . 0.0 110.111 177.871 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -86.93 167.81 13.95 Favored 'General case' 0 C--N 1.323 -0.544 0 CA-C-N 116.318 -0.401 . . . . 0.0 110.721 179.578 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -74.66 89.24 2.23 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-O 121.274 0.559 . . . . 0.0 110.769 -179.571 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 53' ' ' LEU . . . . . 0.439 ' HG ' ' HG ' ' A' ' 66' ' ' LEU . 2.8 tm? -80.3 123.24 27.81 Favored 'General case' 0 C--N 1.32 -0.689 0 CA-C-N 115.423 -0.808 . . . . 0.0 110.177 -178.065 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 54' ' ' ASN . . . . . . . . . . . . . 44.7 t30 -154.32 99.47 2.21 Favored 'General case' 0 C--N 1.322 -0.587 0 N-CA-C 109.91 -0.404 . . . . 0.0 109.91 174.442 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . 177.45 162.32 27.45 Favored Glycine 0 N--CA 1.447 -0.63 0 C-N-CA 120.342 -0.932 . . . . 0.0 112.818 178.548 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 12.6 p -94.07 113.28 25.22 Favored 'General case' 0 C--N 1.321 -0.636 0 N-CA-C 109.344 -0.613 . . . . 0.0 109.344 173.373 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 57' ' ' MET . . . . . 0.603 ' SD ' ' HA2' ' A' ' 62' ' ' GLY . 19.3 ptp -157.85 -178.96 7.7 Favored 'General case' 0 C--N 1.324 -0.537 0 CA-C-N 116.498 -0.319 . . . . 0.0 110.79 -172.994 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 14.7 m -96.09 170.43 9.28 Favored 'General case' 0 C--N 1.325 -0.477 0 CA-C-N 116.368 -0.378 . . . . 0.0 110.067 179.322 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 59' ' ' VAL . . . . . . . . . . . . . 70.9 t -54.17 -49.6 61.2 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.295 0 CA-C-O 120.796 0.332 . . . . 0.0 110.971 -179.575 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 60' ' ' GLU . . . . . 0.48 ' O ' ' HG3' ' A' ' 64' ' ' ARG . 46.8 mt-10 -53.74 -56.86 13.65 Favored 'General case' 0 C--N 1.324 -0.536 0 CA-C-N 115.595 -0.729 . . . . 0.0 111.454 -179.515 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 61' ' ' GLN . . . . . . . . . . . . . 26.8 mt-30 -63.94 -37.1 86.18 Favored 'General case' 0 C--N 1.326 -0.428 0 CA-C-N 115.992 -0.549 . . . . 0.0 111.102 -179.1 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 62' ' ' GLY . . . . . 0.603 ' HA2' ' SD ' ' A' ' 57' ' ' MET . . . -62.47 -53.42 41.9 Favored Glycine 0 N--CA 1.447 -0.631 0 CA-C-N 115.792 -0.64 . . . . 0.0 112.454 -178.931 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 63' ' ' LEU . . . . . 0.442 HD21 ' CE2' ' A' ' 30' ' ' PHE . 4.1 mm? -59.33 -38.98 81.71 Favored 'General case' 0 C--N 1.325 -0.479 0 N-CA-C 111.809 0.3 . . . . 0.0 111.809 -177.967 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 64' ' ' ARG . . . . . 0.48 ' HG3' ' O ' ' A' ' 60' ' ' GLU . 75.0 mtp180 -56.14 -44.98 79.73 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 116.006 -0.543 . . . . 0.0 111.511 178.785 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 65' ' ' ARG . . . . . . . . . . . . . 67.8 ttt180 -80.18 -29.62 38.7 Favored 'General case' 0 C--N 1.322 -0.613 0 CA-C-O 121.104 0.478 . . . . 0.0 110.614 177.841 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 66' ' ' LEU . . . . . 0.641 ' HB3' ' HE3' ' A' ' 27' ' ' MET . 3.5 mt -70.78 -48.85 52.12 Favored 'General case' 0 C--N 1.322 -0.596 0 CA-C-N 115.617 -0.72 . . . . 0.0 112.803 -174.871 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 67' ' ' ILE . . . . . . . . . . . . . 60.9 mt -88.54 -65.25 0.98 Allowed 'Isoleucine or valine' 0 C--N 1.331 -0.226 0 N-CA-C 113.359 0.874 . . . . 0.0 113.359 -170.255 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . -114.36 -62.17 0.4 Allowed Glycine 0 N--CA 1.448 -0.534 0 C-N-CA 119.046 -1.549 . . . . 0.0 115.475 -165.838 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . 85.63 -21.11 15.3 Favored Glycine 0 N--CA 1.449 -0.462 0 N-CA-C 109.846 -1.301 . . . . 0.0 109.846 -164.339 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 70' ' ' ASN . . . . . . . . . . . . . 9.0 p30 -101.71 154.13 37.49 Favored Pre-proline 0 C--N 1.329 -0.325 0 CA-C-N 114.748 -0.726 . . . . 0.0 109.299 174.542 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 71' ' ' PRO . . . . . . . . . . . . . 29.5 Cg_endo -63.73 98.59 0.24 Allowed 'Trans proline' 0 C--N 1.347 0.487 0 C-N-CA 122.461 2.107 . . . . 0.0 113.051 -177.232 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 72' ' ' VAL . . . . . . . . . . . . . 14.2 p -144.1 145.22 22.01 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.57 0 N-CA-C 107.779 -1.193 . . . . 0.0 107.779 173.606 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -97.45 139.69 33.01 Favored 'General case' 0 C--N 1.321 -0.672 0 CA-C-O 121.001 0.429 . . . . 0.0 112.107 -167.231 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 74' ' ' PHE . . . . . . . . . . . . . 5.5 p90 -123.4 131.42 53.64 Favored 'General case' 0 C--N 1.323 -0.568 0 CA-C-N 115.874 -0.603 . . . . 0.0 109.751 174.907 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 75' ' ' ARG . . . . . . . . . . . . . 76.7 mtp180 -110.48 114.91 28.7 Favored 'General case' 0 C--N 1.32 -0.676 0 CA-C-O 120.991 0.424 . . . . 0.0 110.63 -179.626 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 76' ' ' LEU . . . . . . . . . . . . . 46.3 mt -86.32 99.26 11.46 Favored 'General case' 0 C--N 1.322 -0.618 0 CA-C-N 115.588 -0.733 . . . . 0.0 109.685 179.388 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 77' ' ' GLN . . . . . . . . . . . . . 88.2 mt-30 -104.88 132.4 20.92 Favored Pre-proline 0 C--N 1.323 -0.586 0 CA-C-O 120.868 0.366 . . . . 0.0 111.21 -175.886 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 78' ' ' PRO . . . . . . . . . . . . . 37.7 Cg_endo -65.74 -5.23 11.36 Favored 'Trans proline' 0 C--N 1.347 0.487 0 C-N-CA 123.446 2.764 . . . . 0.0 112.394 -178.455 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 79' ' ' GLN . . . . . . . . . . . . . 78.8 mt-30 -67.05 -12.39 59.78 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 115.909 -0.587 . . . . 0.0 110.251 174.299 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . 99.13 34.52 5.09 Favored Glycine 0 N--CA 1.445 -0.726 0 CA-C-N 115.771 -0.65 . . . . 0.0 112.343 177.224 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 81' ' ' GLN . . . . . . . . . . . . . 30.0 pt20 -147.84 146.69 29.2 Favored 'General case' 0 C--N 1.325 -0.488 0 CA-C-O 121.126 0.489 . . . . 0.0 111.431 -177.338 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 82' ' ' ILE . . . . . . . . . . . . . 51.3 mt -105.56 99.8 9.24 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.594 0 N-CA-C 108.575 -0.898 . . . . 0.0 108.575 173.172 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 83' ' ' VAL . . . . . . . . . . . . . 57.2 t -88.46 118.6 34.28 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.646 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.595 -176.352 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 84' ' ' LEU . . . . . . . . . . . . . 19.3 tp -79.07 137.89 37.73 Favored 'General case' 0 C--N 1.323 -0.547 0 N-CA-C 109.111 -0.7 . . . . 0.0 109.111 175.547 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 85' ' ' SER . . . . . . . . . . . . . 50.0 m -142.47 167.23 22.58 Favored 'General case' 0 C--N 1.318 -0.797 0 CA-C-O 120.741 0.305 . . . . 0.0 110.253 -176.904 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 86' ' ' ARG . . . . . . . . . . . . . 38.1 ptt180 -106.49 164.67 11.86 Favored 'General case' 0 N--CA 1.445 -0.701 0 CA-C-N 116.429 -0.35 . . . . 0.0 110.357 179.643 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 87' ' ' LEU . . . . . 0.425 ' N ' HD23 ' A' ' 87' ' ' LEU . 1.5 pt? . . . . . 0 C--N 1.319 -0.731 0 CA-C-N 115.945 -0.57 . . . . 0.0 109.894 -179.883 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 16.7 pt20 . . . . . 0 N--CA 1.455 -0.204 0 CA-C-O 120.86 0.362 . . . . 0.0 111.004 . . . . . . . . . 0 0 . 1 . 015 nuclear nobuild core ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 14.2 pt20 -147.66 124.35 11.15 Favored 'General case' 0 C--N 1.324 -0.514 0 CA-C-N 115.895 -0.593 . . . . 0.0 109.565 174.95 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 14' ' ' LYS . . . . . 0.541 ' HB2' ' CZ ' ' A' ' 16' ' ' PHE . 48.0 mmtm -132.42 163.29 29.08 Favored 'General case' 0 C--N 1.322 -0.604 0 CA-C-N 116.376 -0.375 . . . . 0.0 110.056 -177.387 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 15' ' ' ASN . . . . . . . . . . . . . 53.2 t30 -96.24 108.72 21.24 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-O 121.096 0.474 . . . . 0.0 110.052 178.276 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 16' ' ' PHE . . . . . 0.541 ' CZ ' ' HB2' ' A' ' 14' ' ' LYS . 82.4 m-85 -107.18 149.4 27.74 Favored 'General case' 0 C--N 1.32 -0.713 0 CA-C-N 116.061 -0.518 . . . . 0.0 110.898 -176.58 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 9.0 t30 -142.1 101.05 3.85 Favored 'General case' 0 C--N 1.324 -0.54 0 CA-C-N 115.908 -0.587 . . . . 0.0 109.439 175.774 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 18' ' ' ILE . . . . . 0.492 ' HB ' ' HB3' ' A' ' 53' ' ' LEU . 16.7 mm -120.31 113.81 41.68 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.54 0 CA-C-N 115.824 -0.626 . . . . 0.0 110.591 -174.689 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -72.46 161.48 30.76 Favored 'General case' 0 C--O 1.237 0.411 0 N-CA-C 109.351 -0.611 . . . . 0.0 109.351 172.336 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 20' ' ' ALA . . . . . 0.411 ' HA ' ' HB3' ' A' ' 50' ' ' ALA . . . -67.37 102.48 1.11 Allowed 'General case' 0 C--N 1.331 -0.217 0 CA-C-O 121.331 0.586 . . . . 0.0 110.962 -175.616 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 21' ' ' GLN . . . . . 0.448 ' HB3' ' HD2' ' A' ' 22' ' ' PRO . 40.1 mt-30 -108.85 178.23 1.09 Allowed Pre-proline 0 C--N 1.318 -0.764 0 CA-C-N 115.103 -0.953 . . . . 0.0 110.196 175.002 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 22' ' ' PRO . . . . . 0.448 ' HD2' ' HB3' ' A' ' 21' ' ' GLN . 32.2 Cg_exo -60.84 137.1 70.43 Favored 'Trans proline' 0 C--N 1.346 0.425 0 C-N-CA 121.504 1.469 . . . . 0.0 109.453 163.986 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 24.2 tp -51.7 -39.08 57.67 Favored 'General case' 0 C--N 1.328 -0.334 0 N-CA-C 112.331 0.493 . . . . 0.0 112.331 -166.427 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 25.0 mt-30 -64.22 -52.96 56.25 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.821 0.344 . . . . 0.0 110.85 179.013 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 16.1 m -64.47 -30.78 71.81 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-O 121.17 0.51 . . . . 0.0 110.418 179.316 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -58.22 -57.4 13.04 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 115.663 -0.699 . . . . 0.0 111.104 177.352 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 27' ' ' MET . . . . . 0.488 ' HA ' ' HB3' ' A' ' 30' ' ' PHE . 48.6 mtt -74.67 -18.99 60.44 Favored 'General case' 0 C--N 1.325 -0.457 0 CA-C-N 115.81 -0.632 . . . . 0.0 110.607 -177.681 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 28' ' ' LEU . . . . . 0.42 ' O ' ' HB3' ' A' ' 32' ' ' GLU . 8.3 tt -63.58 -38.85 92.68 Favored 'General case' 0 C--N 1.322 -0.626 0 N-CA-C 108.632 -0.877 . . . . 0.0 108.632 172.187 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 29' ' ' ARG . . . . . 0.588 ' O ' ' HG2' ' A' ' 32' ' ' GLU . 35.7 mmt180 -81.61 -40.71 22.58 Favored 'General case' 0 C--N 1.332 -0.193 0 CA-C-N 115.689 -0.687 . . . . 0.0 111.468 179.73 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 30' ' ' PHE . . . . . 0.488 ' HB3' ' HA ' ' A' ' 27' ' ' MET . 37.6 t80 -62.99 -54.14 42.93 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-O 121.262 0.553 . . . . 0.0 110.502 177.13 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 31' ' ' ALA . . . . . 0.406 ' HA ' ' HB3' ' A' ' 34' ' ' ALA . . . -70.97 -23.29 62.18 Favored 'General case' 0 N--CA 1.444 -0.769 0 CA-C-N 115.704 -0.68 . . . . 0.0 111.467 -173.865 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 32' ' ' GLU . . . . . 0.588 ' HG2' ' O ' ' A' ' 29' ' ' ARG . 8.6 pt-20 -67.53 -23.05 65.4 Favored 'General case' 0 N--CA 1.466 0.336 0 C-N-CA 119.792 -0.763 . . . . 0.0 110.437 179.422 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 33' ' ' GLN . . . . . . . . . . . . . 54.4 mt-30 -89.19 -30.18 18.74 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 121.144 0.497 . . . . 0.0 109.931 174.392 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 34' ' ' ALA . . . . . 0.406 ' HB3' ' HA ' ' A' ' 31' ' ' ALA . . . -79.77 -26.32 40.68 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 115.706 -0.679 . . . . 0.0 112.032 -177.134 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 105.86 37.82 2.48 Favored Glycine 0 N--CA 1.453 -0.222 0 C-N-CA 121.061 -0.59 . . . . 0.0 112.197 -179.448 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 36' ' ' MET . . . . . . . . . . . . . 56.9 mtm -154.24 176.18 12.59 Favored 'General case' 0 C--N 1.328 -0.352 0 C-N-CA 123.072 0.549 . . . . 0.0 110.234 -177.593 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 37' ' ' GLN . . . . . 0.406 ' O ' ' HA ' ' A' ' 81' ' ' GLN . 8.8 tt0 -141.35 143.33 33.95 Favored 'General case' 0 C--N 1.322 -0.605 0 N-CA-C 109.033 -0.729 . . . . 0.0 109.033 169.704 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 8.3 p -77.7 137.56 22.03 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 N-CA-C 110.049 -0.352 . . . . 0.0 110.049 -179.399 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 39' ' ' PHE . . . . . . . . . . . . . 90.6 t80 -131.64 137.17 48.24 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-O 121.175 0.512 . . . . 0.0 111.841 -171.797 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 40' ' ' PHE . . . . . . . . . . . . . 71.3 m-85 -134.74 162.14 33.19 Favored 'General case' 0 C--N 1.323 -0.57 0 N-CA-C 108.212 -1.033 . . . . 0.0 108.212 172.883 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 41' ' ' ASP . . . . . 0.448 ' CG ' ' H ' ' A' ' 42' ' ' GLU . 3.3 p-10 -81.81 -87.39 0.09 Allowed 'General case' 0 C--N 1.324 -0.511 0 C-N-CA 120.261 -0.576 . . . . 0.0 110.385 176.975 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 42' ' ' GLU . . . . . 0.448 ' H ' ' CG ' ' A' ' 41' ' ' ASP . 45.7 mt-10 -131.03 87.86 2.53 Favored 'General case' 0 C--N 1.317 -0.818 0 N-CA-C 108.627 -0.879 . . . . 0.0 108.627 172.688 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 43' ' ' VAL . . . . . . . . . . . . . 62.1 t -121.0 109.39 25.08 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.669 0 CA-C-N 115.79 -0.641 . . . . 0.0 111.046 -177.039 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 39.8 ttmt -102.93 89.68 3.53 Favored 'General case' 0 C--N 1.323 -0.553 0 CA-C-N 115.797 -0.638 . . . . 0.0 109.383 176.006 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 92.9 mt -142.92 137.01 29.15 Favored 'General case' 0 C--N 1.324 -0.54 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.46 -179.298 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 4.6 p-10 -130.78 155.73 46.18 Favored 'General case' 0 C--N 1.32 -0.676 0 CA-C-N 116.166 -0.47 . . . . 0.0 109.752 175.501 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 123.15 -14.1 8.37 Favored Glycine 0 N--CA 1.444 -0.802 0 C-N-CA 120.384 -0.913 . . . . 0.0 112.594 179.465 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 48' ' ' MET . . . . . . . . . . . . . 5.1 mpp? -63.77 139.92 58.82 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 120.988 0.423 . . . . 0.0 110.567 178.332 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 21.0 mt-30 -106.06 120.95 43.1 Favored 'General case' 0 C--N 1.32 -0.692 0 CA-C-N 116.079 -0.51 . . . . 0.0 110.476 -177.204 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 50' ' ' ALA . . . . . 0.411 ' HB3' ' HA ' ' A' ' 20' ' ' ALA . . . -83.54 101.13 11.23 Favored 'General case' 0 C--N 1.324 -0.52 0 N-CA-C 109.491 -0.559 . . . . 0.0 109.491 175.478 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -60.99 155.79 19.22 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 115.68 -0.691 . . . . 0.0 111.096 -177.744 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -55.49 109.34 0.54 Allowed 'General case' 0 C--N 1.331 -0.209 0 CA-C-N 115.75 -0.659 . . . . 0.0 110.914 -178.274 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 53' ' ' LEU . . . . . 0.492 ' HB3' ' HB ' ' A' ' 18' ' ' ILE . 1.1 tm? -108.74 102.0 11.08 Favored 'General case' 0 C--N 1.32 -0.676 0 CA-C-N 115.611 -0.722 . . . . 0.0 109.259 -177.967 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 54' ' ' ASN . . . . . 0.541 ' HA ' ' O ' ' A' ' 16' ' ' PHE . 50.3 t-20 -151.8 99.33 2.57 Favored 'General case' 0 C--N 1.324 -0.53 0 N-CA-C 109.831 -0.433 . . . . 0.0 109.831 178.314 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . 178.16 165.68 33.33 Favored Glycine 0 N--CA 1.448 -0.564 0 C-N-CA 120.547 -0.835 . . . . 0.0 112.56 -179.889 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 56' ' ' SER . . . . . 0.537 ' HA ' ' O ' ' A' ' 14' ' ' LYS . 51.0 m -99.26 105.11 17.1 Favored 'General case' 0 C--N 1.326 -0.44 0 N-CA-C 109.459 -0.571 . . . . 0.0 109.459 175.203 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 57' ' ' MET . . . . . . . . . . . . . 14.6 ptt? -157.24 -178.37 7.3 Favored 'General case' 0 C--N 1.324 -0.519 0 CA-C-N 116.053 -0.521 . . . . 0.0 111.188 -173.986 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 25.4 m -92.81 174.46 7.24 Favored 'General case' 0 C--N 1.325 -0.46 0 CA-C-N 116.031 -0.531 . . . . 0.0 111.447 -176.317 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 59' ' ' VAL . . . . . . . . . . . . . 31.0 t -58.86 -48.86 84.99 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.536 -0.302 . . . . 0.0 111.065 -178.73 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 25.6 mp0 -52.17 -51.85 55.54 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-N 116.066 -0.515 . . . . 0.0 110.528 179.132 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 61' ' ' GLN . . . . . . . . . . . . . 46.7 mt-30 -64.72 -46.65 81.4 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 115.742 -0.663 . . . . 0.0 111.13 -179.101 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . -58.86 -44.82 95.75 Favored Glycine 0 N--CA 1.449 -0.497 0 CA-C-N 115.87 -0.604 . . . . 0.0 112.459 -178.947 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 63' ' ' LEU . . . . . 0.527 ' O ' HG13 ' A' ' 67' ' ' ILE . 4.0 mm? -69.56 -41.95 75.19 Favored 'General case' 0 C--N 1.323 -0.548 0 C-N-CA 121.375 -0.13 . . . . 0.0 110.99 179.118 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 64' ' ' ARG . . . . . . . . . . . . . 72.3 mtp180 -53.79 -32.65 53.3 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-O 120.707 0.289 . . . . 0.0 111.108 176.605 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 65' ' ' ARG . . . . . . . . . . . . . 20.5 ttm180 -81.39 -46.07 15.18 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.484 -0.325 . . . . 0.0 110.9 176.511 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 7.3 mt -59.91 -41.28 91.33 Favored 'General case' 0 N--CA 1.472 0.64 0 CA-C-O 121.332 0.587 . . . . 0.0 111.908 -179.736 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 67' ' ' ILE . . . . . 0.527 HG13 ' O ' ' A' ' 63' ' ' LEU . 8.7 mt -90.25 18.46 0.75 Allowed 'Isoleucine or valine' 0 C--N 1.319 -0.735 0 CA-C-N 115.422 -0.808 . . . . 0.0 110.24 -179.467 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . -33.26 26.31 0.0 OUTLIER Glycine 0 N--CA 1.485 1.96 0 C-N-CA 128.236 2.827 . . . . 0.0 120.145 177.866 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 69' ' ' GLY . . . . . 0.419 ' N ' ' O ' ' A' ' 67' ' ' ILE . . . 116.04 30.03 2.22 Favored Glycine 0 C--N 1.314 -0.654 0 CA-C-N 119.188 1.494 . . . . 0.0 112.318 -173.313 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 70' ' ' ASN . . . . . . . . . . . . . 43.2 m-80 -102.16 118.23 59.55 Favored Pre-proline 0 C--N 1.322 -0.595 0 N-CA-C 107.014 -1.476 . . . . 0.0 107.014 159.328 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 71' ' ' PRO . . . . . . . . . . . . . 19.6 Cg_exo -67.12 94.18 0.35 Allowed 'Trans proline' 0 C--O 1.235 0.361 0 C-N-CA 121.358 1.372 . . . . 0.0 112.182 -175.741 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 72' ' ' VAL . . . . . . . . . . . . . 14.1 p -156.72 146.61 11.47 Favored 'Isoleucine or valine' 0 N--CA 1.449 -0.522 0 CA-C-N 115.709 -0.678 . . . . 0.0 110.145 176.501 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -100.63 132.85 45.81 Favored 'General case' 0 C--N 1.324 -0.541 0 N-CA-C 110.044 -0.354 . . . . 0.0 110.044 177.463 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 74' ' ' PHE . . . . . 0.4 ' CD2' ' HG ' ' A' ' 63' ' ' LEU . 3.3 p90 -115.18 128.62 56.3 Favored 'General case' 0 C--N 1.332 -0.165 0 CA-C-O 121.336 0.589 . . . . 0.0 111.164 -176.767 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 75' ' ' ARG . . . . . 0.527 ' HG2' ' O ' ' A' ' 83' ' ' VAL . 14.7 ptm180 -118.03 127.81 54.17 Favored 'General case' 0 C--N 1.318 -0.771 0 N-CA-C 109.525 -0.546 . . . . 0.0 109.525 177.59 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 76' ' ' LEU . . . . . 0.418 HD23 HG23 ' A' ' 82' ' ' ILE . 76.4 mt -91.33 99.59 12.54 Favored 'General case' 0 C--N 1.319 -0.739 0 CA-C-O 121.221 0.534 . . . . 0.0 110.056 -177.558 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 77' ' ' GLN . . . . . 0.507 ' HA ' ' HD3' ' A' ' 78' ' ' PRO . 0.5 OUTLIER -88.79 131.62 40.97 Favored Pre-proline 0 N--CA 1.441 -0.903 0 CA-C-N 115.536 -0.756 . . . . 0.0 110.012 -176.039 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 78' ' ' PRO . . . . . 0.507 ' HD3' ' HA ' ' A' ' 77' ' ' GLN . 29.9 Cg_exo -63.28 3.18 0.64 Allowed 'Trans proline' 0 N--CA 1.48 0.707 0 C-N-CA 123.681 2.921 . . . . 0.0 114.526 -173.988 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 79' ' ' GLN . . . . . 0.475 ' HB2' HE21 ' A' ' 77' ' ' GLN . 77.5 mt-30 -93.36 23.2 4.64 Favored 'General case' 0 C--N 1.324 -0.534 0 CA-C-O 121.089 0.471 . . . . 0.0 110.452 177.388 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . 71.07 28.99 69.43 Favored Glycine 0 N--CA 1.447 -0.577 0 CA-C-N 115.728 -0.669 . . . . 0.0 112.759 178.474 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 81' ' ' GLN . . . . . 0.406 ' HA ' ' O ' ' A' ' 37' ' ' GLN . 97.2 mt-30 -131.57 132.84 44.43 Favored 'General case' 0 C--N 1.324 -0.513 0 CA-C-O 120.947 0.403 . . . . 0.0 111.28 -177.675 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 82' ' ' ILE . . . . . 0.418 HG23 HD23 ' A' ' 76' ' ' LEU . 48.2 mt -98.95 100.8 11.16 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.55 0 N-CA-C 108.835 -0.802 . . . . 0.0 108.835 175.08 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 83' ' ' VAL . . . . . 0.527 ' O ' ' HG2' ' A' ' 75' ' ' ARG . 39.6 t -91.39 120.55 40.6 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.669 0 CA-C-N 116.438 -0.346 . . . . 0.0 110.256 -176.777 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 84' ' ' LEU . . . . . . . . . . . . . 6.3 mp -112.65 148.11 35.33 Favored 'General case' 0 C--N 1.322 -0.63 0 CA-C-O 120.857 0.361 . . . . 0.0 110.649 177.619 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 85' ' ' SER . . . . . . . . . . . . . 5.6 p -148.81 135.18 19.43 Favored 'General case' 0 C--N 1.32 -0.708 0 CA-C-N 115.76 -0.655 . . . . 0.0 110.325 179.921 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 86' ' ' ARG . . . . . . . . . . . . . 33.6 ttm180 -81.77 81.06 7.92 Favored 'General case' 0 C--N 1.324 -0.543 0 N-CA-C 108.885 -0.783 . . . . 0.0 108.885 176.239 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 87' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.322 -0.623 0 CA-C-N 114.352 -1.294 . . . . 0.0 110.653 -179.434 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 11.1 pt20 . . . . . 0 N--CA 1.456 -0.151 0 CA-C-O 120.792 0.33 . . . . 0.0 110.257 . . . . . . . . . 0 0 . 1 . 016 nuclear nobuild core ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 11.2 pt20 -109.85 135.42 50.76 Favored 'General case' 0 C--N 1.321 -0.651 0 CA-C-N 116.437 -0.347 . . . . 0.0 110.211 177.638 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 14' ' ' LYS . . . . . 0.416 ' HB2' ' CE2' ' A' ' 16' ' ' PHE . 40.7 mmtm -135.29 144.47 46.79 Favored 'General case' 0 C--N 1.323 -0.581 0 CA-C-N 116.113 -0.494 . . . . 0.0 109.737 176.601 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 15' ' ' ASN . . . . . 0.524 ' HA ' ' HA ' ' A' ' 56' ' ' SER . 6.6 t30 -84.17 99.49 10.55 Favored 'General case' 0 C--N 1.323 -0.557 0 N-CA-C 109.665 -0.495 . . . . 0.0 109.665 178.766 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 16' ' ' PHE . . . . . 0.416 ' CE2' ' HB2' ' A' ' 14' ' ' LYS . 59.5 m-85 -99.3 143.49 29.5 Favored 'General case' 0 C--N 1.319 -0.718 0 CA-C-N 115.916 -0.583 . . . . 0.0 110.525 -177.44 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 5.1 p-10 -144.17 95.46 2.72 Favored 'General case' 0 C--N 1.318 -0.793 0 CA-C-O 121.684 0.754 . . . . 0.0 109.647 179.527 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 18' ' ' ILE . . . . . 0.456 HG12 HD12 ' A' ' 53' ' ' LEU . 21.0 mm -116.07 119.92 63.31 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.657 0 CA-C-N 115.576 -0.738 . . . . 0.0 109.953 -175.654 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -74.18 154.67 38.97 Favored 'General case' 0 C--N 1.323 -0.551 0 N-CA-C 109.292 -0.632 . . . . 0.0 109.292 173.65 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -66.88 103.15 1.07 Allowed 'General case' 0 C--N 1.328 -0.356 0 CA-C-O 121.33 0.586 . . . . 0.0 110.815 -176.278 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 21' ' ' GLN . . . . . 0.507 HE22 ' HG3' ' A' ' 29' ' ' ARG . 74.6 mt-30 -106.12 172.38 3.99 Favored Pre-proline 0 C--N 1.324 -0.538 0 CA-C-N 114.99 -1.004 . . . . 0.0 110.242 173.714 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 22' ' ' PRO . . . . . 0.402 ' HA ' ' O ' ' A' ' 48' ' ' MET . 52.5 Cg_exo -57.24 140.98 94.45 Favored 'Trans proline' 0 N--CA 1.462 -0.334 0 C-N-CA 121.788 1.659 . . . . 0.0 109.816 163.083 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 23' ' ' LEU . . . . . 0.422 ' CB ' ' HB3' ' A' ' 48' ' ' MET . 32.3 tp -51.71 -45.5 63.59 Favored 'General case' 0 N--CA 1.468 0.473 0 N-CA-C 113.459 0.911 . . . . 0.0 113.459 -167.138 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 78.5 mt-30 -68.82 -44.46 73.46 Favored 'General case' 0 C--N 1.326 -0.419 0 C-N-CA 120.867 -0.333 . . . . 0.0 111.044 -177.274 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 31.8 t -65.48 -35.77 81.89 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-O 121.132 0.491 . . . . 0.0 109.951 177.594 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -55.3 -57.6 11.17 Favored 'General case' 0 CA--C 1.516 -0.331 0 CA-C-N 115.356 -0.838 . . . . 0.0 111.345 178.829 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 27' ' ' MET . . . . . 0.474 ' HE3' ' HB3' ' A' ' 66' ' ' LEU . 16.7 mmt -76.94 -14.33 59.87 Favored 'General case' 0 C--N 1.321 -0.656 0 CA-C-N 115.469 -0.787 . . . . 0.0 111.014 -174.349 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 59.7 tp -65.69 -32.69 74.38 Favored 'General case' 0 C--N 1.322 -0.626 0 N-CA-C 109.106 -0.702 . . . . 0.0 109.106 170.889 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 29' ' ' ARG . . . . . 0.507 ' HG3' HE22 ' A' ' 21' ' ' GLN . 31.1 mmt180 -86.52 -41.83 14.03 Favored 'General case' 0 C--N 1.323 -0.571 0 CA-C-N 116.262 -0.427 . . . . 0.0 110.718 179.883 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 36.3 t80 -71.46 -56.46 5.9 Favored 'General case' 0 C--N 1.325 -0.479 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.576 179.735 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -71.36 -30.73 66.5 Favored 'General case' 0 C--N 1.323 -0.555 0 CA-C-N 116.13 -0.486 . . . . 0.0 112.281 -169.679 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 40.9 mm-40 -62.72 -26.92 68.92 Favored 'General case' 0 N--CA 1.464 0.261 0 C-N-CA 120.393 -0.523 . . . . 0.0 110.897 177.609 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 33' ' ' GLN . . . . . 0.418 ' OE1' ' HA ' ' A' ' 33' ' ' GLN . 16.3 mm-40 -85.59 -16.44 39.32 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-O 120.997 0.427 . . . . 0.0 110.497 177.369 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -95.71 -16.87 21.69 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-N 116.079 -0.51 . . . . 0.0 111.198 178.944 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 99.03 20.7 17.61 Favored Glycine 0 CA--C 1.52 0.384 0 C-N-CA 121.081 -0.58 . . . . 0.0 112.867 178.996 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 36' ' ' MET . . . . . 0.458 ' HG2' ' HA2' ' A' ' 80' ' ' GLY . 68.0 mtm -138.97 176.57 8.58 Favored 'General case' 0 C--N 1.325 -0.465 0 N-CA-C 110.308 -0.256 . . . . 0.0 110.308 -177.276 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 37' ' ' GLN . . . . . . . . . . . . . 32.7 tt0 -154.68 145.75 22.72 Favored 'General case' 0 C--N 1.328 -0.353 0 N-CA-C 109.976 -0.379 . . . . 0.0 109.976 173.594 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 38' ' ' VAL . . . . . 0.405 ' CG2' ' HB2' ' A' ' 27' ' ' MET . 5.9 m -79.75 138.93 19.05 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-O 121.006 0.432 . . . . 0.0 111.592 -179.231 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 39' ' ' PHE . . . . . . . . . . . . . 91.5 t80 -121.37 136.19 54.99 Favored 'General case' 0 C--N 1.324 -0.521 0 CA-C-N 115.814 -0.63 . . . . 0.0 110.787 -179.72 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 40' ' ' PHE . . . . . . . . . . . . . 70.3 m-85 -131.08 154.55 48.15 Favored 'General case' 0 C--N 1.321 -0.635 0 CA-C-N 115.57 -0.741 . . . . 0.0 109.07 176.347 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 17.1 m-20 -78.92 -174.37 3.98 Favored 'General case' 0 C--N 1.325 -0.464 0 CA-C-N 116.659 -0.246 . . . . 0.0 110.542 177.807 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 39.5 mt-10 -76.3 89.42 3.15 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-O 121.05 0.452 . . . . 0.0 110.216 179.184 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 43' ' ' VAL . . . . . . . . . . . . . 7.2 p -159.14 134.84 1.75 Allowed 'Isoleucine or valine' 0 C--N 1.32 -0.701 0 CA-C-N 115.712 -0.676 . . . . 0.0 109.898 178.72 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 40.7 ttmt -98.84 123.17 42.92 Favored 'General case' 0 C--N 1.319 -0.752 0 CA-C-N 116.286 -0.416 . . . . 0.0 110.082 178.079 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 1.3 pt? -133.81 112.92 11.73 Favored 'General case' 0 C--N 1.32 -0.694 0 CA-C-N 116.024 -0.535 . . . . 0.0 110.106 178.609 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 6.2 p-10 -83.55 151.31 25.44 Favored 'General case' 0 C--N 1.323 -0.552 0 CA-C-N 115.942 -0.572 . . . . 0.0 110.228 178.853 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 102.75 6.64 46.21 Favored Glycine 0 N--CA 1.448 -0.529 0 C-N-CA 120.674 -0.774 . . . . 0.0 112.266 -179.588 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 48' ' ' MET . . . . . 0.422 ' HB3' ' CB ' ' A' ' 23' ' ' LEU . 71.1 mtm -67.3 119.44 12.17 Favored 'General case' 0 C--N 1.329 -0.319 0 N-CA-C 109.91 -0.404 . . . . 0.0 109.91 178.029 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 7.5 pt20 -146.63 136.11 22.93 Favored 'General case' 0 C--N 1.323 -0.554 0 CA-C-O 121.109 0.481 . . . . 0.0 111.227 -175.381 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -91.18 145.49 24.63 Favored 'General case' 0 C--N 1.321 -0.636 0 CA-C-N 115.756 -0.657 . . . . 0.0 109.895 176.555 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -84.3 162.78 19.97 Favored 'General case' 0 C--N 1.321 -0.672 0 CA-C-N 116.449 -0.342 . . . . 0.0 110.908 179.908 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -64.8 97.1 0.2 Allowed 'General case' 0 C--O 1.235 0.307 0 CA-C-N 115.785 -0.643 . . . . 0.0 111.339 -179.179 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 53' ' ' LEU . . . . . 0.456 HD12 HG12 ' A' ' 18' ' ' ILE . 3.4 tm? -103.77 120.18 40.44 Favored 'General case' 0 C--N 1.322 -0.614 0 CA-C-N 115.709 -0.678 . . . . 0.0 109.657 -179.414 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 54' ' ' ASN . . . . . . . . . . . . . 7.3 t30 -159.51 98.85 1.42 Allowed 'General case' 0 C--N 1.326 -0.446 0 CA-C-N 116.357 -0.383 . . . . 0.0 110.136 177.821 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . 178.46 166.66 35.05 Favored Glycine 0 N--CA 1.448 -0.561 0 C-N-CA 120.703 -0.761 . . . . 0.0 112.155 -179.964 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 56' ' ' SER . . . . . 0.524 ' HA ' ' HA ' ' A' ' 15' ' ' ASN . 22.8 t -94.81 107.04 19.05 Favored 'General case' 0 C--N 1.324 -0.513 0 N-CA-C 109.713 -0.477 . . . . 0.0 109.713 176.957 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 57' ' ' MET . . . . . . . . . . . . . 21.3 ptp -157.63 176.75 12.22 Favored 'General case' 0 C--N 1.326 -0.452 0 CA-C-N 115.919 -0.582 . . . . 0.0 110.637 -175.676 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 9.5 m -84.55 176.24 8.75 Favored 'General case' 0 C--N 1.324 -0.523 0 CA-C-N 116.411 -0.359 . . . . 0.0 110.907 -179.792 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 59' ' ' VAL . . . . . . . . . . . . . 47.7 t -58.72 -38.67 73.29 Favored 'Isoleucine or valine' 0 CA--C 1.516 -0.357 0 N-CA-C 110.156 -0.312 . . . . 0.0 110.156 178.607 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 60' ' ' GLU . . . . . 0.61 ' O ' ' HG3' ' A' ' 64' ' ' ARG . 43.2 mt-10 -52.35 -70.64 0.08 Allowed 'General case' 0 C--O 1.223 -0.3 0 O-C-N 123.489 0.493 . . . . 0.0 111.069 -179.959 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 61' ' ' GLN . . . . . . . . . . . . . 84.4 mm-40 -59.66 -40.88 89.2 Favored 'General case' 0 C--N 1.327 -0.398 0 N-CA-C 111.84 0.311 . . . . 0.0 111.84 -175.325 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . -60.86 -50.57 66.11 Favored Glycine 0 N--CA 1.45 -0.4 0 C-N-CA 120.652 -0.785 . . . . 0.0 112.183 -179.847 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 63' ' ' LEU . . . . . 0.576 HD11 HD12 ' A' ' 67' ' ' ILE . 1.8 tm? -67.35 -39.37 85.73 Favored 'General case' 0 C--N 1.324 -0.524 0 CA-C-O 120.931 0.396 . . . . 0.0 110.172 -178.349 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 64' ' ' ARG . . . . . 0.61 ' HG3' ' O ' ' A' ' 60' ' ' GLU . 67.7 mtt180 -60.05 -43.7 95.21 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.004 -0.544 . . . . 0.0 111.194 -178.667 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 65' ' ' ARG . . . . . . . . . . . . . 22.5 mtp180 -75.32 -28.26 59.58 Favored 'General case' 0 C--N 1.324 -0.536 0 CA-C-O 121.185 0.517 . . . . 0.0 110.616 178.076 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 66' ' ' LEU . . . . . 0.474 ' HB3' ' HE3' ' A' ' 27' ' ' MET . 3.5 mt -70.84 -50.86 30.81 Favored 'General case' 0 C--N 1.321 -0.659 0 CA-C-N 115.373 -0.831 . . . . 0.0 112.917 -175.066 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 67' ' ' ILE . . . . . 0.576 HD12 HD11 ' A' ' 63' ' ' LEU . 13.8 mt -83.2 -61.53 1.73 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 N-CA-C 113.523 0.934 . . . . 0.0 113.523 -169.5 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 68' ' ' GLY . . . . . 0.473 ' C ' ' H ' ' A' ' 70' ' ' ASN . . . -111.65 -61.53 0.47 Allowed Glycine 0 N--CA 1.447 -0.574 0 C-N-CA 119.067 -1.54 . . . . 0.0 114.904 -166.752 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . 79.66 -22.36 4.08 Favored Glycine 0 CA--C 1.52 0.385 0 N-CA-C 110.572 -1.011 . . . . 0.0 110.572 -167.182 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 70' ' ' ASN . . . . . 0.473 ' H ' ' C ' ' A' ' 68' ' ' GLY . 17.3 m120 -103.63 151.23 38.71 Favored Pre-proline 0 C--N 1.325 -0.489 0 N-CA-C 108.712 -0.847 . . . . 0.0 108.712 168.736 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 71' ' ' PRO . . . . . . . . . . . . . 18.0 Cg_endo -59.08 103.24 0.17 Allowed 'Trans proline' 0 CA--C 1.535 0.539 0 C-N-CA 123.178 2.586 . . . . 0.0 113.813 -176.211 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 72' ' ' VAL . . . . . . . . . . . . . 12.6 p -150.26 138.88 14.87 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.399 0 CA-C-N 115.211 -0.904 . . . . 0.0 108.936 175.557 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -90.68 143.12 27.06 Favored 'General case' 0 C--N 1.32 -0.693 0 CA-C-O 121.017 0.436 . . . . 0.0 111.874 -167.524 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 74' ' ' PHE . . . . . 0.404 ' CD2' HD12 ' A' ' 63' ' ' LEU . 4.9 p90 -123.85 125.61 44.97 Favored 'General case' 0 C--N 1.322 -0.62 0 CA-C-N 116.103 -0.499 . . . . 0.0 110.173 176.497 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 75' ' ' ARG . . . . . . . . . . . . . 17.2 tpp180 -99.12 113.89 26.34 Favored 'General case' 0 C--N 1.321 -0.647 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.584 -177.868 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 76' ' ' LEU . . . . . . . . . . . . . 72.2 mt -90.79 99.36 12.41 Favored 'General case' 0 C--N 1.325 -0.495 0 CA-C-N 115.966 -0.561 . . . . 0.0 109.5 177.704 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 77' ' ' GLN . . . . . 0.425 ' HA ' ' HD3' ' A' ' 78' ' ' PRO . 43.7 mt-30 -86.36 130.73 48.46 Favored Pre-proline 0 C--N 1.321 -0.641 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.877 -176.668 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 78' ' ' PRO . . . . . 0.425 ' HD3' ' HA ' ' A' ' 77' ' ' GLN . 51.5 Cg_exo -56.25 -15.58 15.02 Favored 'Trans proline' 0 N--CA 1.477 0.525 0 C-N-CA 123.792 2.995 . . . . 0.0 113.969 -178.892 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 79' ' ' GLN . . . . . . . . . . . . . 28.4 mt-30 -81.01 -0.98 42.03 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 120.802 0.334 . . . . 0.0 111.021 176.853 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 80' ' ' GLY . . . . . 0.458 ' HA2' ' HG2' ' A' ' 36' ' ' MET . . . 95.46 36.12 5.48 Favored Glycine 0 N--CA 1.447 -0.628 0 C-N-CA 120.739 -0.743 . . . . 0.0 112.765 176.964 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 81' ' ' GLN . . . . . . . . . . . . . 84.8 mm-40 -127.38 137.29 52.73 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-N 116.9 0.35 . . . . 0.0 111.203 -177.598 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 82' ' ' ILE . . . . . 0.424 HG13 ' HB3' ' A' ' 36' ' ' MET . 56.9 mt -114.39 102.84 14.43 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 N-CA-C 109.282 -0.636 . . . . 0.0 109.282 174.852 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 83' ' ' VAL . . . . . . . . . . . . . 57.4 t -106.72 128.19 61.62 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.685 0 CA-C-N 116.294 -0.412 . . . . 0.0 110.265 -179.138 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 84' ' ' LEU . . . . . . . . . . . . . 17.2 tp -83.99 141.2 31.38 Favored 'General case' 0 C--N 1.325 -0.492 0 N-CA-C 109.734 -0.469 . . . . 0.0 109.734 179.645 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 85' ' ' SER . . . . . . . . . . . . . 24.0 m -136.12 143.3 44.47 Favored 'General case' 0 C--N 1.321 -0.672 0 N-CA-C 109.812 -0.44 . . . . 0.0 109.812 179.955 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 86' ' ' ARG . . . . . . . . . . . . . 33.7 mmt180 -85.4 64.65 8.77 Favored 'General case' 0 C--N 1.322 -0.629 0 CA-C-O 121.029 0.443 . . . . 0.0 111.782 -172.649 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 87' ' ' LEU . . . . . . . . . . . . . 2.8 mm? . . . . . 0 C--N 1.327 -0.408 0 CA-C-N 115.863 -0.608 . . . . 0.0 109.639 174.659 . . . . . . . . 0 0 . 1 . 017 nuclear nobuild core ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 35.0 tt0 . . . . . 0 N--CA 1.453 -0.301 0 N-CA-C 109.747 -0.464 . . . . 0.0 109.747 . . . . . . . . . 0 0 . 1 . 017 nuclear nobuild core ' A' A ' 13' ' ' GLN . . . . . 0.577 ' H ' ' NE2' ' A' ' 13' ' ' GLN . 0.0 OUTLIER -64.76 135.77 56.19 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-O 121.106 0.479 . . . . 0.0 110.24 -179.312 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 14' ' ' LYS . . . . . 0.554 ' O ' ' HA ' ' A' ' 56' ' ' SER . 73.9 mmtt -108.36 142.81 38.13 Favored 'General case' 0 C--N 1.319 -0.725 0 CA-C-N 115.769 -0.65 . . . . 0.0 109.884 -175.008 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 15' ' ' ASN . . . . . . . . . . . . . 18.4 m120 -80.65 104.13 10.97 Favored 'General case' 0 C--N 1.322 -0.618 0 CA-C-O 120.963 0.411 . . . . 0.0 110.41 178.975 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 16' ' ' PHE . . . . . 0.415 ' O ' ' HA ' ' A' ' 54' ' ' ASN . 86.1 m-85 -99.3 109.83 22.42 Favored 'General case' 0 C--N 1.319 -0.745 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.38 -179.389 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 82.4 m-20 -118.32 88.62 2.96 Favored 'General case' 0 C--N 1.322 -0.608 0 N-CA-C 109.217 -0.66 . . . . 0.0 109.217 176.006 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 18' ' ' ILE . . . . . . . . . . . . . 14.4 mt -127.0 119.26 52.58 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.578 0 CA-C-O 120.747 0.308 . . . . 0.0 110.782 -175.471 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -77.91 160.28 28.34 Favored 'General case' 0 C--N 1.325 -0.499 0 N-CA-C 109.109 -0.7 . . . . 0.0 109.109 173.799 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -70.21 102.74 2.17 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 121.39 0.614 . . . . 0.0 111.34 -174.186 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 21' ' ' GLN . . . . . . . . . . . . . 78.7 mt-30 -106.09 169.81 6.52 Favored Pre-proline 0 C--N 1.322 -0.619 0 CA-C-N 115.145 -0.934 . . . . 0.0 110.211 175.198 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 22' ' ' PRO . . . . . 0.443 ' HA ' ' O ' ' A' ' 48' ' ' MET . 52.8 Cg_exo -53.47 133.31 52.81 Favored 'Trans proline' 0 C--N 1.348 0.503 0 C-N-CA 121.952 1.768 . . . . 0.0 109.991 166.738 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 56.5 tp -51.3 -45.94 62.35 Favored 'General case' 0 N--CA 1.467 0.413 0 N-CA-C 112.981 0.734 . . . . 0.0 112.981 -167.238 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 11.1 mm100 -64.86 -32.9 74.82 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-O 120.856 0.36 . . . . 0.0 110.995 -176.709 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 18.7 m -86.9 -25.77 24.27 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.712 179.817 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -62.38 -45.72 91.9 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-O 121.405 0.621 . . . . 0.0 110.173 175.762 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 27' ' ' MET . . . . . 0.535 ' HG3' ' CG1' ' A' ' 38' ' ' VAL . 25.6 mmt -74.14 -19.12 60.67 Favored 'General case' 0 C--N 1.322 -0.594 0 CA-C-N 115.458 -0.792 . . . . 0.0 110.464 178.102 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 28' ' ' LEU . . . . . 0.578 ' O ' ' HB3' ' A' ' 32' ' ' GLU . 5.7 tt -65.63 -26.34 67.78 Favored 'General case' 0 C--N 1.321 -0.672 0 N-CA-C 108.718 -0.845 . . . . 0.0 108.718 174.1 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 29' ' ' ARG . . . . . 0.6 ' HA ' ' NH1' ' A' ' 29' ' ' ARG . 9.6 mmm180 -73.53 -55.37 6.41 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.36 -0.382 . . . . 0.0 111.09 179.722 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 7.9 t80 -79.94 -55.86 4.67 Favored 'General case' 0 C--N 1.325 -0.485 0 CA-C-O 121.243 0.544 . . . . 0.0 111.558 -178.231 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -69.21 -16.98 63.73 Favored 'General case' 0 C--N 1.319 -0.739 0 CA-C-N 116.007 -0.542 . . . . 0.0 112.334 -169.963 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 32' ' ' GLU . . . . . 0.578 ' HB3' ' O ' ' A' ' 28' ' ' LEU . 8.5 pt-20 -60.75 -33.13 72.47 Favored 'General case' 0 N--CA 1.471 0.588 0 C-N-CA 120.016 -0.673 . . . . 0.0 110.302 175.842 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 33' ' ' GLN . . . . . . . . . . . . . 85.7 mm-40 -77.84 -27.64 49.95 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-O 121.233 0.539 . . . . 0.0 109.929 -179.778 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -88.72 -7.19 56.74 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-N 115.612 -0.722 . . . . 0.0 111.337 179.346 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 77.39 29.77 55.31 Favored Glycine 0 C--N 1.33 0.23 0 C-N-CA 121.135 -0.555 . . . . 0.0 112.207 -179.663 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 36' ' ' MET . . . . . 0.414 ' HG2' ' HA2' ' A' ' 80' ' ' GLY . 64.8 mtp -134.61 173.31 11.81 Favored 'General case' 0 C--N 1.323 -0.577 0 CA-C-O 120.649 0.262 . . . . 0.0 110.903 -174.361 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 37' ' ' GLN . . . . . 0.475 ' O ' ' HA ' ' A' ' 81' ' ' GLN . 55.6 tt0 -161.8 160.27 28.05 Favored 'General case' 0 C--N 1.327 -0.401 0 N-CA-C 108.635 -0.876 . . . . 0.0 108.635 171.165 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 38' ' ' VAL . . . . . 0.535 ' CG1' ' HG3' ' A' ' 27' ' ' MET . 0.7 OUTLIER -76.63 134.64 28.42 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.398 0 CA-C-O 121.031 0.443 . . . . 0.0 110.532 -179.851 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 39' ' ' PHE . . . . . . . . . . . . . 77.7 t80 -115.74 119.54 36.39 Favored 'General case' 0 C--N 1.321 -0.65 0 CA-C-N 115.739 -0.664 . . . . 0.0 110.939 -175.88 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 40' ' ' PHE . . . . . . . . . . . . . 80.4 m-85 -129.13 170.37 13.61 Favored 'General case' 0 C--N 1.316 -0.853 0 N-CA-C 108.543 -0.91 . . . . 0.0 108.543 174.508 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 26.3 t70 -76.18 143.66 40.99 Favored 'General case' 0 C--N 1.321 -0.645 0 N-CA-C 109.341 -0.614 . . . . 0.0 109.341 177.923 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 46.5 mt-10 -62.53 95.79 0.07 Allowed 'General case' 0 C--N 1.328 -0.341 0 CA-C-O 121.295 0.569 . . . . 0.0 111.375 -177.201 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 43' ' ' VAL . . . . . . . . . . . . . 9.1 p -130.01 140.76 48.14 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.742 0 CA-C-N 115.194 -0.912 . . . . 0.0 109.589 177.633 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 24.0 ttmm -87.39 88.15 7.6 Favored 'General case' 0 C--N 1.322 -0.623 0 N-CA-C 109.213 -0.662 . . . . 0.0 109.213 177.243 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 69.1 tp -123.41 116.07 22.66 Favored 'General case' 0 C--N 1.319 -0.757 0 CA-C-N 115.384 -0.825 . . . . 0.0 110.033 -177.984 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 16.0 t70 -85.12 144.26 28.32 Favored 'General case' 0 C--N 1.319 -0.748 0 N-CA-C 109.331 -0.618 . . . . 0.0 109.331 177.264 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 114.19 8.1 17.82 Favored Glycine 0 N--CA 1.444 -0.769 0 C-N-CA 120.462 -0.875 . . . . 0.0 112.03 -179.25 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 48' ' ' MET . . . . . 0.443 ' O ' ' HA ' ' A' ' 22' ' ' PRO . 66.7 mtt -70.64 117.74 12.55 Favored 'General case' 0 N--CA 1.451 -0.384 0 N-CA-C 108.804 -0.813 . . . . 0.0 108.804 175.559 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 27.0 pt20 -153.19 140.01 19.06 Favored 'General case' 0 C--N 1.318 -0.774 0 CA-C-O 121.037 0.446 . . . . 0.0 110.993 -174.625 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -91.72 165.22 13.41 Favored 'General case' 0 C--N 1.317 -0.83 0 CA-C-N 115.385 -0.825 . . . . 0.0 109.451 174.77 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -93.49 154.42 17.91 Favored 'General case' 0 C--N 1.318 -0.778 0 CA-C-N 116.383 -0.372 . . . . 0.0 110.072 179.272 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -64.67 97.13 0.2 Allowed 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.55 179.097 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 57.4 tp -97.41 119.02 35.19 Favored 'General case' 0 C--N 1.322 -0.629 0 CA-C-N 115.6 -0.727 . . . . 0.0 110.701 -176.562 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 54' ' ' ASN . . . . . 0.415 ' HA ' ' O ' ' A' ' 16' ' ' PHE . 25.3 t-20 -146.89 98.25 3.02 Favored 'General case' 0 C--N 1.322 -0.621 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.106 177.564 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . 178.18 160.13 24.01 Favored Glycine 0 N--CA 1.448 -0.53 0 C-N-CA 120.714 -0.755 . . . . 0.0 112.255 179.416 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 56' ' ' SER . . . . . 0.554 ' HA ' ' O ' ' A' ' 14' ' ' LYS . 22.6 p -98.47 108.24 20.89 Favored 'General case' 0 C--N 1.323 -0.549 0 N-CA-C 109.934 -0.395 . . . . 0.0 109.934 174.946 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 57' ' ' MET . . . . . . . . . . . . . 20.9 ptp -148.55 -175.71 5.03 Favored 'General case' 0 C--N 1.323 -0.549 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.218 -175.405 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 12.9 m -88.67 177.35 6.78 Favored 'General case' 0 C--N 1.324 -0.538 0 N-CA-C 110.429 -0.212 . . . . 0.0 110.429 179.744 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 59' ' ' VAL . . . . . . . . . . . . . 40.6 t -62.16 -43.26 97.62 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 CA-C-O 120.711 0.291 . . . . 0.0 111.126 -176.755 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 60' ' ' GLU . . . . . 0.587 ' HA ' ' CZ ' ' A' ' 74' ' ' PHE . 26.2 mt-10 -56.88 -60.52 3.45 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 116.074 -0.512 . . . . 0.0 112.008 -179.049 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 61' ' ' GLN . . . . . 0.435 ' HA ' ' OE1' ' A' ' 61' ' ' GLN . 16.6 mm-40 -63.66 -32.52 74.02 Favored 'General case' 0 C--N 1.324 -0.523 0 CA-C-N 116.364 -0.38 . . . . 0.0 110.353 179.222 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 62' ' ' GLY . . . . . 0.557 ' O ' ' HB2' ' A' ' 66' ' ' LEU . . . -59.77 -58.41 14.36 Favored Glycine 0 N--CA 1.445 -0.704 0 CA-C-N 115.83 -0.623 . . . . 0.0 111.882 177.058 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 63' ' ' LEU . . . . . 0.491 ' O ' HG13 ' A' ' 67' ' ' ILE . 4.2 mm? -58.21 -43.96 87.9 Favored 'General case' 0 C--N 1.331 -0.204 0 CA-C-N 116.681 0.24 . . . . 0.0 111.049 179.659 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 64' ' ' ARG . . . . . . . . . . . . . 51.3 mtp180 -52.29 -54.42 31.72 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.354 -0.384 . . . . 0.0 110.968 178.048 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 65' ' ' ARG . . . . . 0.535 ' HA ' ' HA2' ' A' ' 69' ' ' GLY . 97.0 mtt180 -80.03 -17.81 51.8 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.403 -0.362 . . . . 0.0 111.724 -175.966 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 66' ' ' LEU . . . . . 0.557 ' HB2' ' O ' ' A' ' 62' ' ' GLY . 3.1 tt -73.99 -47.43 37.32 Favored 'General case' 0 C--N 1.323 -0.575 0 CA-C-O 121.124 0.488 . . . . 0.0 109.817 178.903 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 67' ' ' ILE . . . . . 0.491 HG13 ' O ' ' A' ' 63' ' ' LEU . 11.1 mt -83.81 -62.36 1.49 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 CA-C-N 116.08 -0.509 . . . . 0.0 111.317 -174.528 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . -113.8 -44.21 0.77 Allowed Glycine 0 CA--C 1.519 0.341 0 C-N-CA 120.621 -0.799 . . . . 0.0 114.13 -174.28 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 69' ' ' GLY . . . . . 0.535 ' HA2' ' HA ' ' A' ' 65' ' ' ARG . . . 103.79 -12.75 53.42 Favored Glycine 0 CA--C 1.513 -0.082 0 N-CA-C 110.452 -1.059 . . . . 0.0 110.452 -168.642 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 70' ' ' ASN . . . . . . . . . . . . . 21.0 p-10 -100.34 167.08 11.49 Favored Pre-proline 0 C--N 1.32 -0.708 0 CA-C-N 114.386 -0.907 . . . . 0.0 110.614 -177.404 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 71' ' ' PRO . . . . . . . . . . . . . 16.3 Cg_exo -69.01 124.89 11.86 Favored 'Trans proline' 0 C--N 1.346 0.408 0 C-N-CA 122.589 2.192 . . . . 0.0 110.802 170.814 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 72' ' ' VAL . . . . . . . . . . . . . 8.8 p -148.3 158.8 7.47 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.602 0 N-CA-C 109.623 -0.51 . . . . 0.0 109.623 -174.816 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 73' ' ' ALA . . . . . 0.526 ' HB3' ' O ' ' A' ' 85' ' ' SER . . . -104.99 119.0 37.94 Favored 'General case' 0 N--CA 1.442 -0.839 0 CA-C-N 116.405 -0.361 . . . . 0.0 110.957 -178.671 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 74' ' ' PHE . . . . . 0.587 ' CZ ' ' HA ' ' A' ' 60' ' ' GLU . 6.1 p90 -125.48 133.69 52.32 Favored 'General case' 0 C--N 1.32 -0.691 0 CA-C-O 120.966 0.412 . . . . 0.0 110.017 -179.343 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 75' ' ' ARG . . . . . . . . . . . . . 24.2 mmt180 -103.24 119.67 39.3 Favored 'General case' 0 C--N 1.317 -0.811 0 CA-C-N 116.075 -0.511 . . . . 0.0 110.434 177.005 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 76' ' ' LEU . . . . . . . . . . . . . 71.5 mt -86.77 98.5 11.2 Favored 'General case' 0 C--N 1.321 -0.657 0 N-CA-C 108.911 -0.774 . . . . 0.0 108.911 176.337 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 77' ' ' GLN . . . . . . . . . . . . . 18.7 mt-30 -87.65 130.16 48.13 Favored Pre-proline 0 C--N 1.32 -0.704 0 CA-C-N 115.948 -0.569 . . . . 0.0 110.903 -175.359 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 78' ' ' PRO . . . . . . . . . . . . . 50.5 Cg_exo -57.31 -17.21 25.46 Favored 'Trans proline' 0 C--N 1.347 0.494 0 C-N-CA 123.365 2.71 . . . . 0.0 112.523 176.161 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 79' ' ' GLN . . . . . . . . . . . . . 43.7 mt-30 -73.17 -3.32 25.85 Favored 'General case' 0 C--O 1.233 0.188 0 CA-C-N 116.097 -0.502 . . . . 0.0 111.178 175.404 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 80' ' ' GLY . . . . . 0.414 ' HA2' ' HG2' ' A' ' 36' ' ' MET . . . 90.02 34.89 7.94 Favored Glycine 0 N--CA 1.445 -0.732 0 C-N-CA 120.968 -0.634 . . . . 0.0 112.376 179.224 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 81' ' ' GLN . . . . . 0.475 ' HA ' ' O ' ' A' ' 37' ' ' GLN . 18.0 mt-30 -129.16 133.5 47.63 Favored 'General case' 0 C--N 1.325 -0.463 0 CA-C-O 120.859 0.361 . . . . 0.0 111.529 -177.316 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 82' ' ' ILE . . . . . 0.432 ' HB ' HG12 ' A' ' 38' ' ' VAL . 56.0 mt -107.31 104.25 16.77 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.587 0 N-CA-C 108.563 -0.903 . . . . 0.0 108.563 170.621 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 83' ' ' VAL . . . . . . . . . . . . . 59.7 t -118.61 130.69 73.1 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.556 0 CA-C-O 120.752 0.311 . . . . 0.0 110.825 -176.671 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 84' ' ' LEU . . . . . 0.423 ' CD1' ' HB3' ' A' ' 74' ' ' PHE . 2.6 mm? -85.52 166.71 16.06 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-O 121.646 0.736 . . . . 0.0 111.575 179.716 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 85' ' ' SER . . . . . 0.526 ' O ' ' HB3' ' A' ' 73' ' ' ALA . 20.2 t -161.2 167.78 25.42 Favored 'General case' 0 N--CA 1.445 -0.716 0 CA-C-N 114.521 -1.218 . . . . 0.0 108.447 171.516 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 86' ' ' ARG . . . . . . . . . . . . . 8.0 ptp180 -102.78 78.02 1.64 Allowed 'General case' 0 C--N 1.319 -0.739 0 CA-C-O 121.748 0.785 . . . . 0.0 110.76 -178.927 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 87' ' ' LEU . . . . . 0.441 HD13 ' CB ' ' A' ' 73' ' ' ALA . 10.7 mp . . . . . 0 C--N 1.325 -0.472 0 CA-C-N 115.176 -0.92 . . . . 0.0 110.155 178.504 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 11.7 pt20 . . . . . 0 N--CA 1.448 -0.55 0 N-CA-C 110.114 -0.328 . . . . 0.0 110.114 . . . . . . . . . 0 0 . 1 . 018 nuclear nobuild core ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 10.7 pt20 -135.0 157.29 47.32 Favored 'General case' 0 C--N 1.319 -0.726 0 CA-C-N 116.126 -0.488 . . . . 0.0 109.856 175.903 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 14' ' ' LYS . . . . . 0.519 ' HB2' ' CE2' ' A' ' 16' ' ' PHE . 28.3 mmmt -122.84 146.07 47.88 Favored 'General case' 0 C--N 1.321 -0.659 0 N-CA-C 109.849 -0.426 . . . . 0.0 109.849 -178.929 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 15' ' ' ASN . . . . . . . . . . . . . 10.3 t30 -93.0 101.92 14.26 Favored 'General case' 0 C--N 1.322 -0.62 0 CA-C-O 120.954 0.407 . . . . 0.0 110.095 179.04 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 16' ' ' PHE . . . . . 0.519 ' CE2' ' HB2' ' A' ' 14' ' ' LYS . 91.4 m-85 -100.49 134.92 42.73 Favored 'General case' 0 C--N 1.322 -0.623 0 CA-C-N 115.838 -0.619 . . . . 0.0 110.556 -178.604 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 3.4 p30 -132.62 89.35 2.63 Favored 'General case' 0 C--N 1.32 -0.714 0 CA-C-O 121.599 0.714 . . . . 0.0 109.19 173.127 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 18' ' ' ILE . . . . . 0.436 ' HB ' ' HB3' ' A' ' 53' ' ' LEU . 21.4 mm -115.21 115.75 50.39 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.522 0 CA-C-N 115.551 -0.749 . . . . 0.0 110.705 -173.181 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -72.68 153.98 40.94 Favored 'General case' 0 C--N 1.324 -0.513 0 N-CA-C 108.789 -0.819 . . . . 0.0 108.789 171.577 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -68.7 101.63 1.35 Allowed 'General case' 0 N--CA 1.454 -0.274 0 CA-C-O 121.637 0.732 . . . . 0.0 110.679 -175.341 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 21' ' ' GLN . . . . . . . . . . . . . 35.9 mt-30 -107.14 170.72 5.34 Favored Pre-proline 0 C--N 1.319 -0.73 0 CA-C-N 114.647 -1.16 . . . . 0.0 109.599 174.996 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 22' ' ' PRO . . . . . . . . . . . . . 54.5 Cg_exo -54.04 130.35 39.0 Favored 'Trans proline' 0 N--CA 1.461 -0.432 0 C-N-CA 121.657 1.571 . . . . 0.0 109.861 165.012 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -51.26 -44.57 61.81 Favored 'General case' 0 C--N 1.327 -0.375 0 N-CA-C 112.541 0.571 . . . . 0.0 112.541 -166.561 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 67.7 mt-30 -52.38 -55.73 19.7 Favored 'General case' 0 N--CA 1.465 0.321 0 O-C-N 123.235 0.334 . . . . 0.0 111.9 176.895 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 25' ' ' SER . . . . . 0.671 ' O ' ' HG2' ' A' ' 29' ' ' ARG . 19.1 p -69.74 -25.3 63.77 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.717 -0.22 . . . . 0.0 111.525 -178.616 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -56.73 -56.48 20.96 Favored 'General case' 0 C--O 1.234 0.243 0 CA-C-O 121.296 0.569 . . . . 0.0 111.173 -178.688 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 27' ' ' MET . . . . . 0.423 ' HA ' ' CE2' ' A' ' 30' ' ' PHE . 43.6 mtt -74.39 -29.17 61.42 Favored 'General case' 0 C--N 1.321 -0.648 0 CA-C-N 115.868 -0.606 . . . . 0.0 109.947 179.982 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 50.9 tp -58.31 -25.45 61.9 Favored 'General case' 0 C--O 1.213 -0.843 0 CA-C-N 116.387 -0.37 . . . . 0.0 110.277 176.843 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 29' ' ' ARG . . . . . 0.671 ' HG2' ' O ' ' A' ' 25' ' ' SER . 1.5 mmp_? -74.21 -60.76 2.12 Favored 'General case' 0 C--N 1.327 -0.394 0 O-C-N 122.259 -0.276 . . . . 0.0 111.575 178.667 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 30' ' ' PHE . . . . . 0.423 ' CE2' ' HA ' ' A' ' 27' ' ' MET . 5.2 p90 -80.85 -40.11 25.37 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-O 121.168 0.509 . . . . 0.0 111.469 -173.453 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 31' ' ' ALA . . . . . 0.436 ' HB1' ' HB2' ' A' ' 36' ' ' MET . . . -74.53 -33.5 62.77 Favored 'General case' 0 C--N 1.323 -0.561 0 CA-C-N 115.852 -0.613 . . . . 0.0 111.761 -172.636 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 8.0 pt-20 -61.79 -33.05 73.42 Favored 'General case' 0 N--CA 1.466 0.373 0 C-N-CA 120.085 -0.646 . . . . 0.0 110.351 -178.948 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 33' ' ' GLN . . . . . . . . . . . . . 76.7 mt-30 -76.67 -19.66 57.51 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 115.867 -0.606 . . . . 0.0 110.579 -179.47 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -95.14 -8.02 37.59 Favored 'General case' 0 C--N 1.326 -0.449 0 CA-C-N 116.053 -0.521 . . . . 0.0 111.15 177.574 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 88.96 34.95 8.5 Favored Glycine 0 N--CA 1.451 -0.302 0 C-N-CA 120.959 -0.639 . . . . 0.0 112.294 -179.642 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 36' ' ' MET . . . . . 0.436 ' HB2' ' HB1' ' A' ' 31' ' ' ALA . 89.6 mtp -135.27 157.39 47.04 Favored 'General case' 0 C--N 1.327 -0.37 0 N-CA-C 110.173 -0.306 . . . . 0.0 110.173 -179.246 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 37' ' ' GLN . . . . . 0.432 ' O ' ' HA ' ' A' ' 81' ' ' GLN . 10.2 tt0 -151.66 159.05 44.17 Favored 'General case' 0 C--N 1.325 -0.47 0 N-CA-C 109.994 -0.373 . . . . 0.0 109.994 -179.637 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 21.4 t -77.67 133.27 30.92 Favored 'Isoleucine or valine' 0 C--O 1.235 0.307 0 CA-C-N 116.577 -0.283 . . . . 0.0 110.412 -177.773 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 39' ' ' PHE . . . . . 0.49 ' HB2' ' HB2' ' A' ' 81' ' ' GLN . 86.4 t80 -101.49 123.19 45.13 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.293 -0.412 . . . . 0.0 110.78 -178.154 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 40' ' ' PHE . . . . . . . . . . . . . 20.6 p90 -167.69 140.92 3.35 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-N 115.929 -0.578 . . . . 0.0 110.098 178.86 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 9.1 p-10 -79.45 -177.68 5.9 Favored 'General case' 0 C--N 1.326 -0.456 0 N-CA-C 109.542 -0.54 . . . . 0.0 109.542 176.274 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 42.2 mt-10 -67.35 89.48 0.21 Allowed 'General case' 0 C--O 1.235 0.34 0 CA-C-O 121.406 0.622 . . . . 0.0 111.395 -176.005 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 43' ' ' VAL . . . . . . . . . . . . . 28.0 m -131.73 -177.99 2.41 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.586 0 CA-C-N 115.478 -0.783 . . . . 0.0 110.421 -179.275 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 38.6 ttpt -139.0 121.06 15.67 Favored 'General case' 0 C--N 1.32 -0.688 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.032 177.041 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 59.3 tp -106.6 98.98 8.58 Favored 'General case' 0 C--N 1.32 -0.704 0 N-CA-C 109.519 -0.549 . . . . 0.0 109.519 175.587 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 28.5 t70 -68.23 127.07 31.6 Favored 'General case' 0 C--N 1.324 -0.528 0 CA-C-N 116.319 -0.4 . . . . 0.0 110.174 179.669 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 89.36 17.23 55.82 Favored Glycine 0 N--CA 1.444 -0.811 0 C-N-CA 120.718 -0.753 . . . . 0.0 111.797 -177.745 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 48' ' ' MET . . . . . . . . . . . . . 23.1 ptt? -57.66 118.37 5.19 Favored 'General case' 0 C--O 1.234 0.243 0 CA-C-O 121.169 0.509 . . . . 0.0 110.475 178.613 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 10.1 tt0 -164.38 143.45 7.35 Favored 'General case' 0 C--N 1.322 -0.59 0 CA-C-N 116.048 -0.524 . . . . 0.0 110.174 -177.596 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -83.41 148.0 27.54 Favored 'General case' 0 C--N 1.32 -0.712 0 CA-C-N 115.929 -0.578 . . . . 0.0 110.154 178.034 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -76.34 170.93 15.42 Favored 'General case' 0 C--N 1.322 -0.593 0 CA-C-N 116.1 -0.5 . . . . 0.0 109.916 176.967 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -69.27 89.33 0.47 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 121.174 0.511 . . . . 0.0 110.227 179.546 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 53' ' ' LEU . . . . . 0.436 ' HB3' ' HB ' ' A' ' 18' ' ' ILE . 0.8 OUTLIER -99.31 99.48 10.43 Favored 'General case' 0 N--CA 1.446 -0.668 0 CA-C-N 115.759 -0.655 . . . . 0.0 109.86 -174.718 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 54' ' ' ASN . . . . . . . . . . . . . 4.2 p30 -144.58 99.76 3.41 Favored 'General case' 0 C--N 1.321 -0.65 0 CA-C-N 116.024 -0.535 . . . . 0.0 110.337 179.107 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . 177.92 169.63 39.11 Favored Glycine 0 N--CA 1.449 -0.482 0 C-N-CA 120.553 -0.832 . . . . 0.0 112.548 179.604 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 23.1 t -105.38 106.28 16.7 Favored 'General case' 0 C--N 1.322 -0.591 0 N-CA-C 109.142 -0.688 . . . . 0.0 109.142 175.381 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 57' ' ' MET . . . . . . . . . . . . . 10.5 ptt? -156.24 168.5 27.12 Favored 'General case' 0 C--N 1.324 -0.537 0 CA-C-N 116.085 -0.507 . . . . 0.0 110.516 -173.44 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 32.2 m -75.63 163.73 27.03 Favored 'General case' 0 C--N 1.324 -0.533 0 CA-C-N 116.467 -0.333 . . . . 0.0 111.109 -176.577 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 59' ' ' VAL . . . . . . . . . . . . . 29.4 t -53.5 -42.19 48.45 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.396 0 CA-C-O 120.553 0.216 . . . . 0.0 111.394 -176.615 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 60' ' ' GLU . . . . . 0.541 ' HA ' ' CZ ' ' A' ' 74' ' ' PHE . 44.1 mt-10 -55.07 -51.25 66.95 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-N 116.277 -0.42 . . . . 0.0 111.563 178.026 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 61' ' ' GLN . . . . . . . . . . . . . 30.4 mm-40 -68.97 -38.85 79.61 Favored 'General case' 0 C--N 1.325 -0.487 0 CA-C-O 120.788 0.328 . . . . 0.0 110.797 -179.852 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 62' ' ' GLY . . . . . 0.469 ' O ' ' HB2' ' A' ' 66' ' ' LEU . . . -62.74 -56.8 19.11 Favored Glycine 0 N--CA 1.446 -0.687 0 C-N-CA 121.045 -0.598 . . . . 0.0 112.509 -178.957 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 63' ' ' LEU . . . . . 0.437 ' O ' HG13 ' A' ' 67' ' ' ILE . 3.8 mm? -64.97 -46.25 82.28 Favored 'General case' 0 C--N 1.327 -0.401 0 N-CA-C 112.022 0.378 . . . . 0.0 112.022 -175.456 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 64' ' ' ARG . . . . . . . . . . . . . 74.3 mtt180 -59.3 -37.76 78.51 Favored 'General case' 0 N--CA 1.466 0.33 0 CA-C-O 120.755 0.312 . . . . 0.0 111.365 -177.705 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 65' ' ' ARG . . . . . . . . . . . . . 67.8 ttt180 -78.53 -39.4 38.01 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-O 120.79 0.328 . . . . 0.0 110.57 177.742 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 66' ' ' LEU . . . . . 0.469 ' HB2' ' O ' ' A' ' 62' ' ' GLY . 4.5 tt -59.85 -42.54 93.85 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 115.818 -0.628 . . . . 0.0 110.365 -179.95 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 67' ' ' ILE . . . . . 0.53 HG21 HD13 ' A' ' 84' ' ' LEU . 71.8 mt -73.81 -62.11 1.44 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.417 0 CA-C-N 115.573 -0.74 . . . . 0.0 111.059 -179.131 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . -113.43 -59.64 0.41 Allowed Glycine 0 N--CA 1.446 -0.686 0 C-N-CA 120.605 -0.807 . . . . 0.0 113.653 -175.556 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . 101.89 -19.86 47.99 Favored Glycine 0 N--CA 1.451 -0.343 0 N-CA-C 110.076 -1.21 . . . . 0.0 110.076 -168.833 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 70' ' ' ASN . . . . . . . . . . . . . 16.0 m120 -98.62 161.98 23.28 Favored Pre-proline 0 C--N 1.323 -0.559 0 CA-C-N 114.525 -0.838 . . . . 0.0 108.814 175.689 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 71' ' ' PRO . . . . . . . . . . . . . 18.7 Cg_endo -60.18 98.81 0.13 Allowed 'Trans proline' 0 C--N 1.347 0.456 0 C-N-CA 122.125 1.883 . . . . 0.0 112.124 177.144 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 72' ' ' VAL . . . . . . . . . . . . . 9.6 p -143.01 159.57 17.93 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.683 0 N-CA-C 108.55 -0.907 . . . . 0.0 108.55 -179.706 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 73' ' ' ALA . . . . . 0.453 ' HB3' ' HB2' ' A' ' 87' ' ' LEU . . . -115.64 133.6 55.87 Favored 'General case' 0 N--CA 1.445 -0.713 0 C-N-CA 120.567 -0.453 . . . . 0.0 111.56 -170.841 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 74' ' ' PHE . . . . . 0.644 ' CE1' ' HG ' ' A' ' 76' ' ' LEU . 3.2 p90 -105.99 159.61 15.92 Favored 'General case' 0 C--N 1.315 -0.895 0 N-CA-C 108.65 -0.87 . . . . 0.0 108.65 171.895 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 75' ' ' ARG . . . . . . . . . . . . . 58.7 mtm180 -123.56 104.61 9.15 Favored 'General case' 0 C--N 1.317 -0.827 0 CA-C-O 121.131 0.491 . . . . 0.0 110.366 175.131 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 76' ' ' LEU . . . . . 0.644 ' HG ' ' CE1' ' A' ' 74' ' ' PHE . 50.0 mt -92.27 122.8 35.09 Favored 'General case' 0 C--N 1.324 -0.514 0 CA-C-N 115.661 -0.7 . . . . 0.0 110.015 177.639 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 77' ' ' GLN . . . . . . . . . . . . . 23.3 mt-30 -114.12 142.6 28.22 Favored Pre-proline 0 C--N 1.316 -0.868 0 CA-C-N 116.039 -0.528 . . . . 0.0 109.8 179.715 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 78' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_exo -54.59 -10.42 2.38 Favored 'Trans proline' 0 C--N 1.352 0.712 0 C-N-CA 123.958 3.106 . . . . 0.0 114.107 -176.571 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 79' ' ' GLN . . . . . . . . . . . . . 76.3 mt-30 -67.11 -19.83 65.69 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 121.038 0.447 . . . . 0.0 110.36 174.981 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . 95.75 42.0 3.71 Favored Glycine 0 N--CA 1.449 -0.441 0 C-N-CA 120.931 -0.652 . . . . 0.0 112.301 178.375 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 81' ' ' GLN . . . . . 0.49 ' HB2' ' HB2' ' A' ' 39' ' ' PHE . 13.3 pt20 -131.43 150.79 52.01 Favored 'General case' 0 C--N 1.326 -0.454 0 CA-C-O 120.894 0.378 . . . . 0.0 110.995 -177.97 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 82' ' ' ILE . . . . . . . . . . . . . 25.6 mt -119.21 123.54 71.52 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.42 0 CA-C-N 115.643 -0.708 . . . . 0.0 110.145 -179.537 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 83' ' ' VAL . . . . . . . . . . . . . 7.1 p -139.08 139.03 40.85 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.537 0 CA-C-O 120.801 0.334 . . . . 0.0 110.714 178.129 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 84' ' ' LEU . . . . . 0.53 HD13 HG21 ' A' ' 67' ' ' ILE . 50.3 tp -88.62 151.39 22.5 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-N 116.176 -0.466 . . . . 0.0 111.108 -178.923 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 85' ' ' SER . . . . . . . . . . . . . 40.2 m -137.49 137.62 38.87 Favored 'General case' 0 N--CA 1.445 -0.707 0 N-CA-C 109.699 -0.482 . . . . 0.0 109.699 177.283 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 86' ' ' ARG . . . . . . . . . . . . . 23.5 tpp180 -76.61 81.0 3.27 Favored 'General case' 0 C--N 1.326 -0.45 0 CA-C-O 121.457 0.646 . . . . 0.0 110.091 -179.718 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 87' ' ' LEU . . . . . 0.453 ' HB2' ' HB3' ' A' ' 73' ' ' ALA . 15.9 mt . . . . . 0 C--N 1.322 -0.611 0 CA-C-N 115.243 -0.89 . . . . 0.0 109.425 -178.937 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 12' ' ' GLN . . . . . 0.574 ' O ' ' HA ' ' A' ' 58' ' ' SER . 11.4 pt20 . . . . . 0 CA--C 1.528 0.104 0 CA-C-O 121.148 0.499 . . . . 0.0 111.627 . . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 9.7 tt0 -84.8 114.18 21.89 Favored 'General case' 0 C--N 1.324 -0.509 0 CA-C-N 115.976 -0.557 . . . . 0.0 110.592 -179.777 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 14' ' ' LYS . . . . . 0.523 ' HB2' ' CE2' ' A' ' 16' ' ' PHE . 14.7 mmmm -123.28 161.43 24.62 Favored 'General case' 0 C--N 1.324 -0.521 0 N-CA-C 109.778 -0.452 . . . . 0.0 109.778 179.285 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 15' ' ' ASN . . . . . . . . . . . . . 3.9 t-20 -96.25 123.94 40.07 Favored 'General case' 0 C--N 1.321 -0.648 0 N-CA-C 109.897 -0.408 . . . . 0.0 109.897 178.343 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 16' ' ' PHE . . . . . 0.523 ' CE2' ' HB2' ' A' ' 14' ' ' LYS . 85.4 m-85 -128.45 143.81 51.04 Favored 'General case' 0 C--N 1.324 -0.501 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.638 -179.309 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 17' ' ' ASN . . . . . 0.46 ' HA ' ' O ' ' A' ' 53' ' ' LEU . 2.8 t-20 -144.12 92.18 2.29 Favored 'General case' 0 C--N 1.323 -0.546 0 CA-C-O 121.329 0.585 . . . . 0.0 109.804 176.034 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 18' ' ' ILE . . . . . . . . . . . . . 12.3 mm -112.04 129.68 67.08 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.713 0 CA-C-N 115.517 -0.765 . . . . 0.0 109.717 -176.843 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -76.11 159.9 30.28 Favored 'General case' 0 C--N 1.324 -0.528 0 N-CA-C 109.221 -0.659 . . . . 0.0 109.221 174.686 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -69.76 101.95 1.81 Allowed 'General case' 0 N--CA 1.453 -0.304 0 CA-C-O 121.483 0.659 . . . . 0.0 110.258 -178.092 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 21' ' ' GLN . . . . . . . . . . . . . 65.8 mt-30 -106.92 172.18 4.07 Favored Pre-proline 0 C--N 1.32 -0.683 0 CA-C-N 114.903 -1.044 . . . . 0.0 110.048 178.05 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 22' ' ' PRO . . . . . . . . . . . . . 50.5 Cg_exo -56.28 128.78 31.55 Favored 'Trans proline' 0 C--N 1.345 0.382 0 C-N-CA 121.599 1.532 . . . . 0.0 109.385 163.572 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 42.2 tp -49.82 -44.27 49.24 Favored 'General case' 0 N--CA 1.468 0.435 0 N-CA-C 113.251 0.834 . . . . 0.0 113.251 -166.911 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 27.5 mt-30 -65.55 -33.77 76.68 Favored 'General case' 0 C--N 1.325 -0.462 0 C-N-CA 121.076 -0.25 . . . . 0.0 111.669 -177.242 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 48.8 m -85.88 -25.68 26.05 Favored 'General case' 0 C--N 1.324 -0.539 0 CA-C-O 120.99 0.424 . . . . 0.0 110.338 177.776 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -59.12 -54.9 41.74 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 115.698 -0.683 . . . . 0.0 110.788 177.946 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 27' ' ' MET . . . . . 0.681 ' HB2' ' CG1' ' A' ' 38' ' ' VAL . 52.0 mtt -69.68 -24.74 63.64 Favored 'General case' 0 C--O 1.213 -0.861 0 CA-C-N 116.017 -0.538 . . . . 0.0 110.292 178.937 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 28' ' ' LEU . . . . . 0.673 ' O ' ' HG3' ' A' ' 32' ' ' GLU . 8.9 tt -60.96 -47.67 85.39 Favored 'General case' 0 C--N 1.321 -0.633 0 N-CA-C 108.656 -0.868 . . . . 0.0 108.656 175.803 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 29' ' ' ARG . . . . . 0.536 ' HD3' ' OE1' ' A' ' 32' ' ' GLU . 28.2 mmt180 -71.25 -43.6 66.94 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.213 -0.448 . . . . 0.0 111.395 179.792 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 6.0 t80 -63.28 -53.68 49.04 Favored 'General case' 0 C--N 1.325 -0.489 0 CA-C-O 121.276 0.56 . . . . 0.0 111.038 178.161 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 31' ' ' ALA . . . . . 0.485 ' HA ' ' HB3' ' A' ' 34' ' ' ALA . . . -72.41 -15.6 61.84 Favored 'General case' 0 C--N 1.321 -0.637 0 CA-C-N 115.712 -0.676 . . . . 0.0 111.057 -175.358 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 32' ' ' GLU . . . . . 0.673 ' HG3' ' O ' ' A' ' 28' ' ' LEU . 18.3 mt-10 -52.04 -37.45 53.61 Favored 'General case' 0 N--CA 1.468 0.452 0 C-N-CA 120.502 -0.479 . . . . 0.0 109.869 168.944 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 33' ' ' GLN . . . . . . . . . . . . . 16.3 mm100 -90.81 -13.48 33.76 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 115.876 -0.602 . . . . 0.0 111.432 -179.345 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 34' ' ' ALA . . . . . 0.485 ' HB3' ' HA ' ' A' ' 31' ' ' ALA . . . -100.46 -13.78 18.55 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-O 120.884 0.373 . . . . 0.0 111.768 -178.843 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 89.06 35.07 8.35 Favored Glycine 0 CA--C 1.519 0.316 0 C-N-CA 121.314 -0.47 . . . . 0.0 112.849 178.213 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 36' ' ' MET . . . . . . . . . . . . . 65.0 mtm -145.93 175.91 10.09 Favored 'General case' 0 N--CA 1.465 0.286 0 CA-C-N 116.805 0.303 . . . . 0.0 111.242 -176.841 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 37' ' ' GLN . . . . . . . . . . . . . 25.1 mt-30 -149.71 162.77 39.58 Favored 'General case' 0 C--N 1.332 -0.193 0 C-N-CA 123.517 0.727 . . . . 0.0 109.592 175.822 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 38' ' ' VAL . . . . . 0.681 ' CG1' ' HB2' ' A' ' 27' ' ' MET . 33.7 m -76.38 143.61 12.84 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-O 121.06 0.457 . . . . 0.0 111.354 -175.747 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 39' ' ' PHE . . . . . . . . . . . . . 45.9 t80 -144.97 119.74 9.87 Favored 'General case' 0 C--N 1.322 -0.602 0 CA-C-N 115.828 -0.623 . . . . 0.0 109.94 176.889 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 40' ' ' PHE . . . . . . . . . . . . . 92.4 m-85 -134.79 170.02 16.48 Favored 'General case' 0 C--N 1.317 -0.84 0 N-CA-C 109.07 -0.715 . . . . 0.0 109.07 176.234 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 7.7 p-10 -65.99 151.42 46.83 Favored 'General case' 0 C--N 1.322 -0.619 0 N-CA-C 109.482 -0.562 . . . . 0.0 109.482 177.296 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 53.5 mt-10 -69.99 92.15 0.71 Allowed 'General case' 0 C--N 1.324 -0.501 0 CA-C-O 121.125 0.488 . . . . 0.0 111.228 -174.922 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 43' ' ' VAL . . . . . . . . . . . . . 11.7 p -149.52 136.42 13.0 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.61 0 CA-C-N 115.588 -0.733 . . . . 0.0 109.41 176.026 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 37.0 ttpt -83.96 90.84 7.48 Favored 'General case' 0 C--N 1.323 -0.586 0 CA-C-O 120.795 0.331 . . . . 0.0 110.35 -179.465 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 45.7 tp -123.17 111.36 16.41 Favored 'General case' 0 C--N 1.321 -0.658 0 CA-C-O 120.913 0.387 . . . . 0.0 110.076 177.612 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 25.6 t70 -106.74 161.56 14.56 Favored 'General case' 0 C--N 1.322 -0.627 0 CA-C-N 116.017 -0.538 . . . . 0.0 110.151 -178.655 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 111.41 21.6 6.47 Favored Glycine 0 N--CA 1.449 -0.433 0 C-N-CA 120.732 -0.746 . . . . 0.0 111.819 -178.575 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 48' ' ' MET . . . . . . . . . . . . . 64.3 mtt -99.44 119.29 37.76 Favored 'General case' 0 C--N 1.322 -0.591 0 CA-C-O 120.844 0.354 . . . . 0.0 110.218 -179.304 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 49' ' ' GLN . . . . . 0.537 ' HA ' HE21 ' A' ' 49' ' ' GLN . 0.0 OUTLIER -124.35 136.77 54.34 Favored 'General case' 0 C--N 1.32 -0.678 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.384 -178.871 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -83.55 163.26 20.53 Favored 'General case' 0 C--N 1.324 -0.532 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.212 177.604 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -97.98 167.95 10.59 Favored 'General case' 0 C--N 1.322 -0.622 0 CA-C-N 116.425 -0.352 . . . . 0.0 110.587 178.808 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -61.16 108.81 0.96 Allowed 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.051 -0.522 . . . . 0.0 110.753 178.429 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 53' ' ' LEU . . . . . 0.46 ' O ' ' HA ' ' A' ' 17' ' ' ASN . 1.4 tm? -104.61 110.8 23.25 Favored 'General case' 0 C--N 1.321 -0.643 0 CA-C-N 115.606 -0.725 . . . . 0.0 110.061 -175.368 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 54' ' ' ASN . . . . . . . . . . . . . 10.8 p30 -155.83 106.9 2.5 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-O 121.258 0.551 . . . . 0.0 111.126 174.888 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . 177.82 174.21 43.95 Favored Glycine 0 N--CA 1.449 -0.467 0 C-N-CA 120.161 -1.019 . . . . 0.0 112.936 177.504 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 38.2 p -105.36 109.37 21.32 Favored 'General case' 0 C--N 1.323 -0.563 0 N-CA-C 109.16 -0.682 . . . . 0.0 109.16 172.453 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 57' ' ' MET . . . . . . . . . . . . . 14.8 ptt? -159.52 174.13 15.11 Favored 'General case' 0 C--N 1.32 -0.693 0 CA-C-N 116.445 -0.343 . . . . 0.0 110.732 -173.139 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 58' ' ' SER . . . . . 0.574 ' HA ' ' O ' ' A' ' 12' ' ' GLN . 5.1 m -86.07 169.48 13.11 Favored 'General case' 0 C--N 1.318 -0.769 0 CA-C-N 116.082 -0.508 . . . . 0.0 110.566 -178.189 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 59' ' ' VAL . . . . . 0.467 ' O ' HD23 ' A' ' 63' ' ' LEU . 38.5 t -58.64 -44.01 88.7 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.346 0 CA-C-O 120.948 0.404 . . . . 0.0 110.356 -179.288 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 60' ' ' GLU . . . . . 0.527 ' O ' ' HG3' ' A' ' 64' ' ' ARG . 42.6 mp0 -55.79 -53.83 51.89 Favored 'General case' 0 C--N 1.325 -0.487 0 CA-C-N 115.664 -0.698 . . . . 0.0 110.521 178.997 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 61' ' ' GLN . . . . . . . . . . . . . 95.4 mt-30 -66.17 -36.9 84.3 Favored 'General case' 0 C--N 1.323 -0.57 0 CA-C-N 115.588 -0.733 . . . . 0.0 110.843 -178.365 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . -62.21 -52.35 50.26 Favored Glycine 0 N--CA 1.445 -0.765 0 CA-C-N 115.693 -0.685 . . . . 0.0 112.342 179.962 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 63' ' ' LEU . . . . . 0.467 HD23 ' O ' ' A' ' 59' ' ' VAL . 4.3 mm? -58.09 -45.26 87.5 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-O 120.52 0.2 . . . . 0.0 111.501 -178.537 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 64' ' ' ARG . . . . . 0.527 ' HG3' ' O ' ' A' ' 60' ' ' GLU . 92.4 mtt180 -53.03 -53.77 45.24 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.408 -0.36 . . . . 0.0 110.688 -179.743 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 65' ' ' ARG . . . . . . . . . . . . . 63.2 ttt180 -71.33 -36.13 71.44 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 115.886 -0.597 . . . . 0.0 111.361 -178.571 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 6.9 tt -62.96 -46.27 88.5 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 115.952 -0.567 . . . . 0.0 111.169 -175.737 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 67' ' ' ILE . . . . . 0.491 HD13 HD12 ' A' ' 84' ' ' LEU . 19.8 mt -82.62 -65.96 0.79 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 C-N-CA 120.559 -0.456 . . . . 0.0 111.67 -173.37 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . -117.0 -49.44 0.42 Allowed Glycine 0 N--CA 1.45 -0.382 0 C-N-CA 120.768 -0.729 . . . . 0.0 113.474 -176.93 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . 104.79 -8.61 46.76 Favored Glycine 0 N--CA 1.449 -0.453 0 N-CA-C 110.368 -1.093 . . . . 0.0 110.368 -166.096 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 70' ' ' ASN . . . . . 0.483 ' OD1' ' HD2' ' A' ' 71' ' ' PRO . 55.9 t30 -100.5 136.36 19.97 Favored Pre-proline 0 C--N 1.328 -0.356 0 CA-C-N 114.866 -0.667 . . . . 0.0 109.764 -179.653 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 71' ' ' PRO . . . . . 0.483 ' HD2' ' OD1' ' A' ' 70' ' ' ASN . 52.1 Cg_exo -54.72 117.46 4.01 Favored 'Trans proline' 0 C--N 1.346 0.407 0 C-N-CA 122.514 2.143 . . . . 0.0 112.27 174.912 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 72' ' ' VAL . . . . . . . . . . . . . 2.9 p -150.17 162.16 3.98 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 N-CA-C 108.418 -0.956 . . . . 0.0 108.418 -176.061 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -103.27 123.3 46.5 Favored 'General case' 0 C--N 1.321 -0.632 0 CA-C-O 121.187 0.517 . . . . 0.0 111.072 -169.463 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 74' ' ' PHE . . . . . . . . . . . . . 23.8 p90 -133.69 119.34 19.22 Favored 'General case' 0 C--N 1.312 -1.028 0 CA-C-N 115.512 -0.767 . . . . 0.0 109.134 -179.49 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 75' ' ' ARG . . . . . . . . . . . . . 12.7 ptt180 -90.36 108.79 19.99 Favored 'General case' 0 C--N 1.322 -0.605 0 CA-C-O 121.365 0.602 . . . . 0.0 110.781 -177.074 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 76' ' ' LEU . . . . . . . . . . . . . 25.7 mt -80.27 98.42 7.39 Favored 'General case' 0 C--N 1.322 -0.588 0 CA-C-N 115.099 -0.955 . . . . 0.0 109.012 177.002 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 77' ' ' GLN . . . . . 0.448 ' HA ' ' HD3' ' A' ' 78' ' ' PRO . 46.3 mt-30 -84.69 129.45 56.98 Favored Pre-proline 0 C--N 1.318 -0.789 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.497 -175.992 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 78' ' ' PRO . . . . . 0.448 ' HD3' ' HA ' ' A' ' 77' ' ' GLN . 31.9 Cg_exo -59.58 -9.86 10.08 Favored 'Trans proline' 0 C--N 1.347 0.453 0 C-N-CA 123.235 2.623 . . . . 0.0 112.62 179.662 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 79' ' ' GLN . . . . . . . . . . . . . 14.4 mm100 -80.01 -7.28 58.74 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.47 177.459 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . 97.42 25.71 10.72 Favored Glycine 0 N--CA 1.447 -0.568 0 C-N-CA 120.828 -0.701 . . . . 0.0 112.95 176.715 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 81' ' ' GLN . . . . . . . . . . . . . 2.1 mp0 -125.55 130.93 52.69 Favored 'General case' 0 C--N 1.325 -0.468 0 CA-C-N 117.162 0.481 . . . . 0.0 111.118 -179.826 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 82' ' ' ILE . . . . . . . . . . . . . 62.5 mt -106.65 118.44 54.37 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.39 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.169 176.931 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 83' ' ' VAL . . . . . . . . . . . . . 25.2 t -120.4 133.89 65.65 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.417 -0.356 . . . . 0.0 110.352 179.347 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 84' ' ' LEU . . . . . 0.578 HD23 ' N ' ' A' ' 85' ' ' SER . 2.3 tt -107.92 139.11 43.02 Favored 'General case' 0 C--N 1.327 -0.405 0 N-CA-C 109.621 -0.511 . . . . 0.0 109.621 -177.439 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 85' ' ' SER . . . . . 0.578 ' N ' HD23 ' A' ' 84' ' ' LEU . 39.7 m -142.47 155.06 45.03 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.881 0.372 . . . . 0.0 110.007 176.913 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 86' ' ' ARG . . . . . . . . . . . . . 30.6 ttt180 -87.22 96.38 10.31 Favored 'General case' 0 C--N 1.323 -0.562 0 CA-C-O 120.972 0.415 . . . . 0.0 110.867 -177.234 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 87' ' ' LEU . . . . . . . . . . . . . 3.8 mm? . . . . . 0 C--N 1.324 -0.516 0 CA-C-N 115.865 -0.607 . . . . 0.0 109.939 176.311 . . . . . . . . 0 0 . 1 . 020 nuclear nobuild core ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 22.8 tp60 . . . . . 0 N--CA 1.454 -0.266 0 N-CA-C 109.742 -0.466 . . . . 0.0 109.742 . . . . . . . . . 0 0 . 1 . 020 nuclear nobuild core ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 13.4 pt20 -139.4 152.26 46.94 Favored 'General case' 0 C--N 1.322 -0.61 0 CA-C-N 115.871 -0.604 . . . . 0.0 110.362 -178.438 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 31.7 mmmt -109.49 146.39 34.66 Favored 'General case' 0 C--N 1.322 -0.593 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.039 178.404 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 15' ' ' ASN . . . . . . . . . . . . . 58.0 t30 -89.44 105.07 17.55 Favored 'General case' 0 C--N 1.322 -0.609 0 CA-C-N 116.031 -0.531 . . . . 0.0 110.082 -179.655 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 16' ' ' PHE . . . . . . . . . . . . . 87.0 m-85 -99.47 109.5 22.05 Favored 'General case' 0 C--N 1.321 -0.663 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.829 -179.235 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 17' ' ' ASN . . . . . 0.534 ' HA ' ' O ' ' A' ' 53' ' ' LEU . 2.8 t-20 -139.34 91.04 2.46 Favored 'General case' 0 C--N 1.319 -0.753 0 N-CA-C 108.962 -0.755 . . . . 0.0 108.962 172.796 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 18' ' ' ILE . . . . . . . . . . . . . 12.5 mt -124.98 114.19 39.26 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.744 0 CA-C-N 115.535 -0.757 . . . . 0.0 110.375 -173.027 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -61.9 148.53 43.21 Favored 'General case' 0 C--N 1.328 -0.354 0 N-CA-C 109.004 -0.739 . . . . 0.0 109.004 172.696 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -63.17 102.67 0.4 Allowed 'General case' 0 C--N 1.33 -0.255 0 CA-C-O 121.306 0.574 . . . . 0.0 111.411 -172.531 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 21' ' ' GLN . . . . . . . . . . . . . 76.0 mt-30 -107.37 167.93 8.71 Favored Pre-proline 0 C--N 1.32 -0.69 0 CA-C-N 115.218 -0.901 . . . . 0.0 109.942 173.663 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 22' ' ' PRO . . . . . . . . . . . . . 52.1 Cg_exo -57.15 141.6 94.37 Favored 'Trans proline' 0 N--CA 1.461 -0.395 0 C-N-CA 121.92 1.746 . . . . 0.0 109.978 166.373 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 23' ' ' LEU . . . . . 0.455 HD21 ' HA ' ' A' ' 67' ' ' ILE . 8.6 mt -58.33 -26.18 62.79 Favored 'General case' 0 C--N 1.326 -0.439 0 N-CA-C 113.605 0.965 . . . . 0.0 113.605 -168.923 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 22.2 mp0 -65.66 -54.33 29.05 Favored 'General case' 0 C--N 1.326 -0.452 0 CA-C-O 120.923 0.392 . . . . 0.0 110.017 175.462 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 25' ' ' SER . . . . . 0.669 ' O ' ' HG2' ' A' ' 29' ' ' ARG . 43.6 t -65.77 -35.8 81.74 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 115.946 -0.57 . . . . 0.0 110.62 179.117 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -53.57 -52.38 59.92 Favored 'General case' 0 C--O 1.232 0.179 0 CA-C-O 120.978 0.418 . . . . 0.0 111.642 -178.235 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 27' ' ' MET . . . . . 0.583 ' SD ' HG12 ' A' ' 38' ' ' VAL . 40.7 mtt -76.86 -31.66 56.97 Favored 'General case' 0 C--O 1.215 -0.734 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.241 -179.48 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 28' ' ' LEU . . . . . 0.415 ' C ' HD23 ' A' ' 28' ' ' LEU . 8.3 tt -56.71 -32.29 65.35 Favored 'General case' 0 C--N 1.322 -0.622 0 N-CA-C 109.667 -0.494 . . . . 0.0 109.667 175.455 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 29' ' ' ARG . . . . . 0.669 ' HG2' ' O ' ' A' ' 25' ' ' SER . 20.9 mmt180 -67.91 -60.24 2.66 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 116.432 -0.349 . . . . 0.0 110.886 176.405 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 20.6 t80 -74.27 -56.01 5.37 Favored 'General case' 0 C--N 1.325 -0.476 0 N-CA-C 112.115 0.413 . . . . 0.0 112.115 -176.674 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 31' ' ' ALA . . . . . 0.406 ' HB1' ' HB2' ' A' ' 36' ' ' MET . . . -59.24 -37.29 77.18 Favored 'General case' 0 C--N 1.322 -0.611 0 CA-C-N 115.815 -0.629 . . . . 0.0 112.458 -169.546 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 21.1 mt-10 -60.47 -33.81 73.12 Favored 'General case' 0 N--CA 1.466 0.355 0 C-N-CA 120.037 -0.665 . . . . 0.0 111.707 -178.528 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 33' ' ' GLN . . . . . . . . . . . . . 1.3 mp0 -81.49 -8.94 59.79 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 120.938 0.399 . . . . 0.0 110.918 177.666 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -108.15 8.0 27.83 Favored 'General case' 0 C--N 1.324 -0.528 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.878 179.052 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 76.47 30.15 57.02 Favored Glycine 0 N--CA 1.452 -0.237 0 C-N-CA 121.103 -0.57 . . . . 0.0 112.751 178.573 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 36' ' ' MET . . . . . 0.532 ' HA ' ' O ' ' A' ' 80' ' ' GLY . 74.4 mtm -134.26 174.16 10.82 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-O 120.799 0.333 . . . . 0.0 110.91 -179.162 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 37' ' ' GLN . . . . . . . . . . . . . 55.3 tt0 -160.26 163.07 33.74 Favored 'General case' 0 C--N 1.325 -0.49 0 N-CA-C 108.773 -0.825 . . . . 0.0 108.773 -179.572 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 38' ' ' VAL . . . . . 0.583 HG12 ' SD ' ' A' ' 27' ' ' MET . 34.4 m -75.14 147.54 8.28 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.436 0 CA-C-O 120.836 0.351 . . . . 0.0 111.091 -175.516 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 39' ' ' PHE . . . . . . . . . . . . . 65.1 t80 -142.24 121.54 13.1 Favored 'General case' 0 C--N 1.324 -0.52 0 CA-C-O 121.223 0.535 . . . . 0.0 110.929 175.336 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 40' ' ' PHE . . . . . . . . . . . . . 44.0 p90 -161.63 143.87 11.75 Favored 'General case' 0 C--N 1.321 -0.632 0 CA-C-N 115.307 -0.86 . . . . 0.0 109.165 175.212 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 26.0 t70 -123.36 -56.28 1.72 Allowed 'General case' 0 C--N 1.321 -0.66 0 CA-C-O 120.986 0.422 . . . . 0.0 109.985 179.563 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 43.9 mt-10 -128.38 89.15 2.86 Favored 'General case' 0 C--N 1.322 -0.603 0 CA-C-N 115.88 -0.6 . . . . 0.0 110.239 176.035 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 43' ' ' VAL . . . . . . . . . . . . . 27.0 m -130.7 -162.12 0.32 Allowed 'Isoleucine or valine' 0 C--N 1.321 -0.637 0 CA-C-N 115.598 -0.728 . . . . 0.0 109.67 -179.54 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 37.9 ttpt -50.56 142.2 11.19 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-O 120.868 0.366 . . . . 0.0 110.812 176.254 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 53.1 tp -48.29 131.83 16.46 Favored 'General case' 0 C--O 1.234 0.28 0 CA-C-N 115.403 -0.817 . . . . 0.0 111.369 179.907 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 17.0 t70 -56.29 149.63 16.06 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 115.647 -0.706 . . . . 0.0 110.809 179.058 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 120.24 13.64 5.78 Favored Glycine 0 N--CA 1.444 -0.811 0 N-CA-C 110.274 -1.13 . . . . 0.0 110.274 -169.162 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 48' ' ' MET . . . . . 0.454 ' HG3' ' HB2' ' A' ' 23' ' ' LEU . 16.9 ptt? -86.85 137.07 32.71 Favored 'General case' 0 N--CA 1.449 -0.496 0 CA-C-N 115.026 -0.587 . . . . 0.0 110.287 -177.902 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 26.7 pt20 -138.05 151.31 47.74 Favored 'General case' 0 C--N 1.32 -0.683 0 CA-C-N 116.112 -0.495 . . . . 0.0 110.507 -174.582 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -87.49 -176.5 5.62 Favored 'General case' 0 C--N 1.321 -0.649 0 CA-C-N 115.578 -0.737 . . . . 0.0 110.442 -178.757 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -111.44 168.36 9.6 Favored 'General case' 0 C--N 1.322 -0.616 0 N-CA-C 109.777 -0.453 . . . . 0.0 109.777 176.786 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -65.05 95.74 0.18 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 121.104 0.478 . . . . 0.0 110.099 176.954 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 53' ' ' LEU . . . . . 0.534 ' O ' ' HA ' ' A' ' 17' ' ' ASN . 57.2 tp -88.24 126.56 35.22 Favored 'General case' 0 C--N 1.32 -0.675 0 CA-C-N 115.573 -0.739 . . . . 0.0 111.194 -174.113 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 54' ' ' ASN . . . . . 0.428 HD22 ' ND2' ' A' ' 17' ' ' ASN . 22.5 t-20 -145.76 101.21 3.52 Favored 'General case' 0 C--N 1.323 -0.565 0 CA-C-N 116.217 -0.447 . . . . 0.0 109.825 176.44 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . -172.03 152.3 16.88 Favored Glycine 0 N--CA 1.447 -0.591 0 C-N-CA 120.405 -0.902 . . . . 0.0 112.757 -179.039 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 15.4 m -106.49 109.8 21.83 Favored 'General case' 0 C--N 1.322 -0.619 0 N-CA-C 109.369 -0.604 . . . . 0.0 109.369 177.362 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 57' ' ' MET . . . . . . . . . . . . . 11.1 ptt? -163.13 -178.58 6.1 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-N 116.63 -0.259 . . . . 0.0 111.271 -170.358 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 42.7 m -86.27 172.31 10.57 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-N 116.368 -0.378 . . . . 0.0 111.125 -179.452 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 59' ' ' VAL . . . . . . . . . . . . . 23.9 t -58.0 -47.17 87.36 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.282 0 CA-C-O 120.543 0.211 . . . . 0.0 110.908 -179.446 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 60' ' ' GLU . . . . . 0.565 ' O ' ' HG3' ' A' ' 64' ' ' ARG . 24.8 mt-10 -51.83 -55.74 18.16 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 115.966 -0.561 . . . . 0.0 111.179 178.843 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 61' ' ' GLN . . . . . . . . . . . . . 39.9 mt-30 -64.59 -43.2 94.58 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-N 115.879 -0.6 . . . . 0.0 110.923 -179.104 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 62' ' ' GLY . . . . . 0.435 ' O ' ' HB2' ' A' ' 66' ' ' LEU . . . -57.33 -53.57 43.79 Favored Glycine 0 N--CA 1.446 -0.646 0 CA-C-N 115.649 -0.705 . . . . 0.0 113.119 -176.408 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 63' ' ' LEU . . . . . 0.604 HD12 HD11 ' A' ' 67' ' ' ILE . 4.6 mm? -62.25 -27.26 68.88 Favored 'General case' 0 C--N 1.325 -0.467 0 N-CA-C 111.879 0.325 . . . . 0.0 111.879 -176.627 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 64' ' ' ARG . . . . . 0.565 ' HG3' ' O ' ' A' ' 60' ' ' GLU . 20.7 mtp180 -61.15 -60.03 4.4 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-O 120.686 0.279 . . . . 0.0 110.979 -178.942 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 65' ' ' ARG . . . . . . . . . . . . . 11.4 ttp180 -74.6 -23.51 58.74 Favored 'General case' 0 C--N 1.324 -0.524 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.777 -179.485 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 66' ' ' LEU . . . . . 0.435 ' HB2' ' O ' ' A' ' 62' ' ' GLY . 6.2 tt -66.76 -54.67 20.38 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 115.978 -0.555 . . . . 0.0 110.725 179.526 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 67' ' ' ILE . . . . . 0.604 HD11 HD12 ' A' ' 63' ' ' LEU . 67.2 mt -81.36 -65.28 0.84 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 N-CA-C 112.845 0.683 . . . . 0.0 112.845 -168.981 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . -114.98 -62.01 0.38 Allowed Glycine 0 N--CA 1.443 -0.856 0 C-N-CA 119.408 -1.377 . . . . 0.0 114.411 -171.131 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . 86.94 -22.3 15.16 Favored Glycine 0 N--CA 1.447 -0.574 0 N-CA-C 110.038 -1.225 . . . . 0.0 110.038 -165.286 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 70' ' ' ASN . . . . . . . . . . . . . 8.9 p30 -102.63 164.35 15.81 Favored Pre-proline 0 C--N 1.328 -0.351 0 N-CA-C 109.082 -0.711 . . . . 0.0 109.082 173.1 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 71' ' ' PRO . . . . . . . . . . . . . 50.4 Cg_exo -55.92 99.6 0.07 OUTLIER 'Trans proline' 0 C--N 1.348 0.53 0 C-N-CA 122.723 2.282 . . . . 0.0 113.487 -179.65 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 72' ' ' VAL . . . . . . . . . . . . . 21.4 t -135.91 159.59 39.28 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 N-CA-C 107.343 -1.355 . . . . 0.0 107.343 174.214 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -115.56 121.13 41.69 Favored 'General case' 0 C--N 1.319 -0.741 0 CA-C-N 118.221 0.464 . . . . 0.0 111.576 -179.479 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 74' ' ' PHE . . . . . . . . . . . . . 10.7 p90 -109.45 126.88 53.95 Favored 'General case' 0 C--N 1.328 -0.359 0 N-CA-C 109.422 -0.585 . . . . 0.0 109.422 172.984 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 75' ' ' ARG . . . . . . . . . . . . . 14.5 mmm180 -117.52 116.83 27.89 Favored 'General case' 0 C--N 1.318 -0.786 0 CA-C-N 116.068 -0.515 . . . . 0.0 110.14 -179.418 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 76' ' ' LEU . . . . . . . . . . . . . 35.1 mt -88.86 98.42 11.72 Favored 'General case' 0 C--N 1.319 -0.759 0 CA-C-N 115.613 -0.721 . . . . 0.0 109.235 -179.708 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 77' ' ' GLN . . . . . 0.461 ' HG2' ' H ' ' A' ' 81' ' ' GLN . 2.3 pt20 -80.61 139.54 51.07 Favored Pre-proline 0 C--N 1.32 -0.691 0 C-N-CA 120.88 -0.328 . . . . 0.0 110.195 -175.422 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 78' ' ' PRO . . . . . . . . . . . . . 52.4 Cg_exo -54.58 -20.6 21.69 Favored 'Trans proline' 0 C--N 1.348 0.522 0 C-N-CA 123.501 2.801 . . . . 0.0 113.547 -179.097 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 79' ' ' GLN . . . . . . . . . . . . . 27.6 mm-40 -80.23 0.92 30.5 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 120.881 0.372 . . . . 0.0 111.332 177.935 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 80' ' ' GLY . . . . . 0.532 ' O ' ' HA ' ' A' ' 36' ' ' MET . . . 87.95 44.2 5.47 Favored Glycine 0 N--CA 1.446 -0.677 0 C-N-CA 121.015 -0.612 . . . . 0.0 113.726 172.407 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 81' ' ' GLN . . . . . 0.461 ' H ' ' HG2' ' A' ' 77' ' ' GLN . 79.9 mt-30 -138.08 145.31 41.56 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-N 117.47 0.635 . . . . 0.0 110.573 176.215 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 82' ' ' ILE . . . . . . . . . . . . . 48.0 mt -99.15 104.89 16.6 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.568 0 CA-C-N 115.916 -0.584 . . . . 0.0 109.443 177.453 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 83' ' ' VAL . . . . . . . . . . . . . 21.6 t -93.35 131.42 40.39 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.513 0 CA-C-N 115.978 -0.556 . . . . 0.0 110.213 -177.891 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 84' ' ' LEU . . . . . . . . . . . . . 8.8 mp -111.91 146.44 37.77 Favored 'General case' 0 C--N 1.325 -0.493 0 CA-C-O 121.178 0.513 . . . . 0.0 111.573 -179.153 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 85' ' ' SER . . . . . . . . . . . . . 23.1 m -149.53 146.91 27.62 Favored 'General case' 0 C--N 1.323 -0.566 0 CA-C-N 115.372 -0.831 . . . . 0.0 109.439 175.813 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 86' ' ' ARG . . . . . . . . . . . . . 4.0 tmt_? -85.78 93.16 8.81 Favored 'General case' 0 C--N 1.324 -0.518 0 N-CA-C 109.222 -0.659 . . . . 0.0 109.222 -179.486 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 87' ' ' LEU . . . . . . . . . . . . . 62.4 mt . . . . . 0 C--N 1.321 -0.638 0 CA-C-N 115.76 -0.655 . . . . 0.0 109.665 -177.304 . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 7.6 p . . . . . 0 N--CA 1.477 0.89 0 CA-C-O 121.24 0.543 . . . . 0.0 111.043 . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' A' A ' 7' ' ' MET . . . . . . . . . . . . . 91.4 mtp -135.2 85.17 2.15 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.105 -0.498 . . . . 0.0 109.913 -178.934 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -64.4 -25.73 68.15 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.185 -0.461 . . . . 0.0 112.155 -174.44 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 9' ' ' GLN . . . . . . . . . . . . . 49.3 mt-30 -87.77 -7.51 57.22 Favored 'General case' 0 C--N 1.325 -0.466 0 CA-C-O 120.874 0.369 . . . . 0.0 110.777 -178.009 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -116.74 0.64 12.63 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-O 121.292 0.568 . . . . 0.0 110.843 178.867 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -101.88 137.7 39.83 Favored 'General case' 0 C--N 1.322 -0.59 0 CA-C-N 115.715 -0.675 . . . . 0.0 110.666 -178.732 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 8.8 tt0 -81.29 126.91 32.14 Favored 'General case' 0 C--N 1.324 -0.517 0 CA-C-N 116.352 -0.386 . . . . 0.0 110.548 -179.359 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 77.2 mt-30 -81.43 118.0 22.33 Favored 'General case' 0 C--N 1.324 -0.527 0 CA-C-N 116.395 -0.366 . . . . 0.0 110.077 178.016 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 14' ' ' LYS . . . . . 0.457 ' O ' ' HA ' ' A' ' 56' ' ' SER . 14.1 mmmm -109.63 132.73 53.87 Favored 'General case' 0 C--N 1.321 -0.632 0 N-CA-C 109.498 -0.556 . . . . 0.0 109.498 177.166 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 15' ' ' ASN . . . . . 0.426 ' HA ' ' HA ' ' A' ' 56' ' ' SER . 26.4 t-20 -80.35 108.51 14.03 Favored 'General case' 0 C--N 1.319 -0.731 0 CA-C-O 121.061 0.458 . . . . 0.0 110.111 -179.615 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 16' ' ' PHE . . . . . . . . . . . . . 76.9 m-85 -99.7 146.5 26.45 Favored 'General case' 0 C--N 1.322 -0.591 0 CA-C-N 115.785 -0.643 . . . . 0.0 111.064 -177.939 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 8.1 t30 -135.28 89.07 2.47 Favored 'General case' 0 C--N 1.32 -0.716 0 N-CA-C 108.511 -0.922 . . . . 0.0 108.511 178.137 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 18' ' ' ILE . . . . . 0.56 ' HB ' ' HB3' ' A' ' 53' ' ' LEU . 31.2 mm -112.06 106.44 20.77 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.753 0 CA-C-N 115.938 -0.574 . . . . 0.0 109.96 -176.147 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -63.07 143.63 57.61 Favored 'General case' 0 C--N 1.325 -0.481 0 N-CA-C 108.791 -0.818 . . . . 0.0 108.791 173.12 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -66.38 100.08 0.61 Allowed 'General case' 0 N--CA 1.455 -0.22 0 CA-C-O 121.696 0.76 . . . . 0.0 110.443 -174.624 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 21' ' ' GLN . . . . . . . . . . . . . 44.2 mt-30 -107.7 170.11 5.94 Favored Pre-proline 0 C--N 1.318 -0.771 0 CA-C-N 114.579 -1.191 . . . . 0.0 109.981 176.349 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 22' ' ' PRO . . . . . . . . . . . . . 52.7 Cg_exo -56.98 135.71 72.42 Favored 'Trans proline' 0 N--CA 1.461 -0.388 0 C-N-CA 121.839 1.693 . . . . 0.0 109.44 166.006 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -55.59 -25.71 39.91 Favored 'General case' 0 N--CA 1.466 0.329 0 O-C-N 123.429 0.456 . . . . 0.0 112.039 -170.108 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 66.7 mt-30 -66.12 -52.54 47.6 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-O 121.02 0.438 . . . . 0.0 110.269 177.052 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 15.1 m -76.43 -27.29 56.17 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 115.989 -0.55 . . . . 0.0 110.742 -179.004 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -56.54 -55.06 38.58 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.01 -0.541 . . . . 0.0 110.941 178.461 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 27' ' ' MET . . . . . 0.45 ' CB ' ' HB ' ' A' ' 38' ' ' VAL . 23.5 mmt -75.6 -18.94 59.56 Favored 'General case' 0 C--N 1.325 -0.499 0 CA-C-N 115.986 -0.552 . . . . 0.0 110.796 -178.719 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 9.4 tt -65.16 -36.77 85.28 Favored 'General case' 0 C--N 1.318 -0.787 0 N-CA-C 109.276 -0.639 . . . . 0.0 109.276 173.674 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 12.4 mmm180 -85.42 -31.23 22.99 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.566 -179.569 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 12.2 t80 -80.64 -56.83 3.89 Favored 'General case' 0 C--N 1.322 -0.589 0 CA-C-O 121.378 0.608 . . . . 0.0 111.365 178.079 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -72.09 -17.22 62.01 Favored 'General case' 0 C--N 1.321 -0.639 0 CA-C-N 115.902 -0.59 . . . . 0.0 111.872 -170.158 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 10.0 pt-20 -59.95 -28.32 67.54 Favored 'General case' 0 N--CA 1.464 0.256 0 CA-C-O 121.052 0.453 . . . . 0.0 110.499 174.163 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 33' ' ' GLN . . . . . . . . . . . . . 94.9 mt-30 -90.19 -17.94 26.65 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 121.084 0.468 . . . . 0.0 110.514 178.288 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -97.93 -6.81 31.43 Favored 'General case' 0 C--N 1.326 -0.45 0 CA-C-N 115.797 -0.638 . . . . 0.0 111.775 -178.528 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 79.61 31.59 40.28 Favored Glycine 0 C--N 1.329 0.155 0 C-N-CA 121.07 -0.586 . . . . 0.0 112.674 178.215 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 36' ' ' MET . . . . . . . . . . . . . 70.9 mtm -141.82 175.68 9.52 Favored 'General case' 0 C--N 1.324 -0.508 0 CA-C-O 120.738 0.304 . . . . 0.0 110.332 -177.266 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 37' ' ' GLN . . . . . . . . . . . . . 26.2 tt0 -141.73 154.76 45.5 Favored 'General case' 0 C--N 1.323 -0.567 0 N-CA-C 108.893 -0.78 . . . . 0.0 108.893 171.305 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 38' ' ' VAL . . . . . 0.45 ' HB ' ' CB ' ' A' ' 27' ' ' MET . 7.7 p -78.46 132.18 32.9 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.434 0 CA-C-O 120.978 0.418 . . . . 0.0 110.777 179.973 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 39' ' ' PHE . . . . . 0.412 ' HB3' ' HA ' ' A' ' 83' ' ' VAL . 59.2 t80 -110.16 120.24 41.81 Favored 'General case' 0 C--N 1.325 -0.487 0 CA-C-N 115.934 -0.575 . . . . 0.0 109.74 179.264 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 40' ' ' PHE . . . . . . . . . . . . . 19.1 p90 -134.27 117.81 16.86 Favored 'General case' 0 C--N 1.32 -0.681 0 CA-C-N 115.81 -0.632 . . . . 0.0 110.202 -178.551 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 32.9 t70 -121.42 -61.23 1.55 Allowed 'General case' 0 C--N 1.323 -0.57 0 C-N-CA 120.839 -0.345 . . . . 0.0 110.666 179.767 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 50.9 mt-10 -116.22 86.78 2.55 Favored 'General case' 0 C--N 1.322 -0.609 0 CA-C-O 121.212 0.53 . . . . 0.0 110.127 177.421 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 43' ' ' VAL . . . . . . . . . . . . . 15.5 m -147.33 -166.8 0.16 Allowed 'Isoleucine or valine' 0 C--N 1.322 -0.63 0 CA-C-N 115.053 -0.976 . . . . 0.0 108.722 179.235 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 37.7 ttpt -67.24 133.33 49.52 Favored 'General case' 0 C--N 1.322 -0.616 0 CA-C-O 121.501 0.667 . . . . 0.0 110.097 174.705 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 3.3 mm? -71.37 167.47 19.47 Favored 'General case' 0 N--CA 1.442 -0.854 0 CA-C-N 114.796 -1.093 . . . . 0.0 111.065 -175.495 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 26.6 t70 -36.16 136.63 0.29 Allowed 'General case' 0 C--N 1.32 -0.709 0 CA-C-N 114.214 -1.357 . . . . 0.0 112.425 -177.663 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 123.33 -4.51 9.51 Favored Glycine 0 N--CA 1.444 -0.818 0 N-CA-C 110.753 -0.939 . . . . 0.0 110.753 -173.281 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 48' ' ' MET . . . . . . . . . . . . . 14.2 tpt -87.63 121.33 29.93 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-O 120.861 0.362 . . . . 0.0 110.366 178.395 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 76.9 mt-30 -112.58 155.36 24.5 Favored 'General case' 0 C--N 1.321 -0.664 0 CA-C-N 116.077 -0.51 . . . . 0.0 110.275 179.257 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -88.11 168.73 12.54 Favored 'General case' 0 C--N 1.321 -0.641 0 CA-C-N 116.034 -0.53 . . . . 0.0 109.975 178.438 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -79.49 156.83 27.64 Favored 'General case' 0 C--N 1.323 -0.568 0 CA-C-N 116.457 -0.338 . . . . 0.0 110.705 -179.854 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -69.52 89.42 0.52 Allowed 'General case' 0 C--N 1.328 -0.334 0 CA-C-O 121.282 0.563 . . . . 0.0 109.7 175.814 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 53' ' ' LEU . . . . . 0.56 ' HB3' ' HB ' ' A' ' 18' ' ' ILE . 1.0 OUTLIER -76.42 123.69 26.38 Favored 'General case' 0 C--N 1.32 -0.707 0 CA-C-N 115.181 -0.918 . . . . 0.0 110.993 -172.075 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 54' ' ' ASN . . . . . 0.407 HD22 ' HA ' ' A' ' 54' ' ' ASN . 0.9 OUTLIER -150.71 98.42 2.62 Favored 'General case' 0 C--N 1.324 -0.527 0 CA-C-N 115.858 -0.61 . . . . 0.0 109.881 172.668 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . 178.56 161.21 26.02 Favored Glycine 0 N--CA 1.448 -0.534 0 C-N-CA 120.434 -0.889 . . . . 0.0 112.618 -179.069 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 56' ' ' SER . . . . . 0.457 ' HA ' ' O ' ' A' ' 14' ' ' LYS . 38.8 m -94.07 100.81 12.86 Favored 'General case' 0 C--N 1.325 -0.489 0 CA-C-O 121.103 0.478 . . . . 0.0 110.194 176.762 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 57' ' ' MET . . . . . . . . . . . . . 54.6 mtm -134.07 170.9 14.96 Favored 'General case' 0 C--N 1.325 -0.476 0 CA-C-N 115.691 -0.686 . . . . 0.0 111.247 -177.042 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 15.0 m -102.0 -179.55 4.03 Favored 'General case' 0 C--N 1.322 -0.617 0 CA-C-N 115.644 -0.707 . . . . 0.0 109.127 173.291 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 59' ' ' VAL . . . . . 0.597 ' O ' HD23 ' A' ' 63' ' ' LEU . 12.1 p -54.99 -48.16 75.97 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.258 0 CA-C-O 120.777 0.322 . . . . 0.0 111.554 -177.043 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 60' ' ' GLU . . . . . 0.45 ' O ' ' HG3' ' A' ' 64' ' ' ARG . 44.5 mt-10 -62.97 -53.47 53.51 Favored 'General case' 0 C--N 1.316 -0.857 0 CA-C-O 120.835 0.35 . . . . 0.0 111.342 -179.551 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 61' ' ' GLN . . . . . . . . . . . . . 58.8 mt-30 -63.56 -50.2 70.42 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-N 116.051 -0.522 . . . . 0.0 111.576 -176.877 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . -57.23 -51.25 58.65 Favored Glycine 0 N--CA 1.449 -0.446 0 CA-C-N 115.975 -0.557 . . . . 0.0 112.856 -178.365 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 63' ' ' LEU . . . . . 0.597 HD23 ' O ' ' A' ' 59' ' ' VAL . 4.0 mm? -54.67 -43.55 72.53 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-O 120.564 0.221 . . . . 0.0 111.475 -178.725 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 64' ' ' ARG . . . . . 0.453 ' HA ' ' HA ' ' A' ' 111' ' ' ASN . 19.9 mtp180 -55.77 -46.85 77.82 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 115.979 -0.555 . . . . 0.0 111.731 -176.971 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 65' ' ' ARG . . . . . . . . . . . . . 76.5 ttt180 -80.8 -28.38 36.29 Favored 'General case' 0 C--N 1.324 -0.525 0 CA-C-O 121.129 0.49 . . . . 0.0 110.596 179.878 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 66' ' ' LEU . . . . . 0.469 HD13 ' HB2' ' A' ' 53' ' ' LEU . 18.1 tp -74.68 -45.64 43.17 Favored 'General case' 0 C--N 1.325 -0.457 0 CA-C-N 115.817 -0.628 . . . . 0.0 111.789 -174.434 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 67' ' ' ILE . . . . . 0.472 HD11 HD12 ' A' ' 63' ' ' LEU . 40.1 mt -78.83 -64.94 0.82 Allowed 'Isoleucine or valine' 0 C--N 1.333 -0.152 0 N-CA-C 112.313 0.486 . . . . 0.0 112.313 -175.128 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 68' ' ' GLY . . . . . 0.448 ' C ' ' H ' ' A' ' 70' ' ' ASN . . . -115.4 -62.29 0.37 Allowed Glycine 0 N--CA 1.444 -0.795 0 C-N-CA 119.421 -1.371 . . . . 0.0 114.548 -171.638 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . 82.91 -23.02 6.15 Favored Glycine 0 N--CA 1.45 -0.37 0 N-CA-C 109.836 -1.305 . . . . 0.0 109.836 -163.226 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 70' ' ' ASN . . . . . 0.448 ' H ' ' C ' ' A' ' 68' ' ' GLY . 2.6 p-10 -102.43 157.73 33.15 Favored Pre-proline 0 C--N 1.328 -0.369 0 C-N-CA 123.732 0.813 . . . . 0.0 109.2 171.57 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 71' ' ' PRO . . . . . . . . . . . . . 23.4 Cg_exo -64.35 98.15 0.27 Allowed 'Trans proline' 0 C--N 1.346 0.424 0 C-N-CA 122.814 2.343 . . . . 0.0 113.724 -174.038 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 72' ' ' VAL . . . . . . . . . . . . . 31.9 t -140.4 149.65 21.5 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 N-CA-C 106.928 -1.508 . . . . 0.0 106.928 171.251 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -104.86 130.69 52.94 Favored 'General case' 0 C--N 1.321 -0.637 0 CA-C-N 118.698 0.681 . . . . 0.0 111.98 -170.497 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 74' ' ' PHE . . . . . . . . . . . . . 11.7 p90 -113.92 126.17 54.86 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.159 -0.473 . . . . 0.0 109.993 176.528 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 75' ' ' ARG . . . . . . . . . . . . . 79.8 ttt180 -100.45 119.26 38.2 Favored 'General case' 0 C--N 1.322 -0.594 0 CA-C-N 116.311 -0.404 . . . . 0.0 110.239 178.615 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 76' ' ' LEU . . . . . . . . . . . . . 84.3 mt -87.78 118.78 27.53 Favored 'General case' 0 C--N 1.322 -0.601 0 CA-C-N 116.012 -0.54 . . . . 0.0 111.161 -177.885 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 77' ' ' GLN . . . . . . . . . . . . . 38.9 mt-30 -116.43 98.67 51.91 Favored Pre-proline 0 C--N 1.318 -0.777 0 N-CA-C 108.451 -0.944 . . . . 0.0 108.451 172.041 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 78' ' ' PRO . . . . . . . . . . . . . 54.5 Cg_exo -52.29 -33.26 54.69 Favored 'Trans proline' 0 C--N 1.345 0.367 0 C-N-CA 123.327 2.685 . . . . 0.0 113.376 -174.07 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 79' ' ' GLN . . . . . . . . . . . . . 45.2 mt-30 -106.2 12.9 29.6 Favored 'General case' 0 C--N 1.324 -0.526 0 CA-C-N 116.541 -0.3 . . . . 0.0 110.846 -177.713 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . -140.08 -110.57 0.88 Allowed Glycine 0 N--CA 1.442 -0.915 0 C-N-CA 120.288 -0.958 . . . . 0.0 113.076 -178.126 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 81' ' ' GLN . . . . . . . . . . . . . 48.7 mt-30 -138.9 158.63 43.85 Favored 'General case' 0 C--N 1.322 -0.627 0 CA-C-O 121.226 0.536 . . . . 0.0 111.463 -172.493 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 82' ' ' ILE . . . . . . . . . . . . . 54.8 mt -90.12 99.91 10.18 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.562 0 CA-C-N 115.432 -0.803 . . . . 0.0 109.174 175.992 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 83' ' ' VAL . . . . . 0.412 ' HA ' ' HB3' ' A' ' 39' ' ' PHE . 93.4 t -85.06 116.63 28.86 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.605 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.738 -176.855 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 84' ' ' LEU . . . . . . . . . . . . . 21.4 tp -89.6 130.02 35.97 Favored 'General case' 0 C--N 1.323 -0.55 0 N-CA-C 109.621 -0.511 . . . . 0.0 109.621 176.315 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 85' ' ' SER . . . . . . . . . . . . . 6.7 p -141.06 154.12 45.81 Favored 'General case' 0 C--N 1.321 -0.671 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.558 -177.879 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 86' ' ' ARG . . . . . . . . . . . . . 1.4 tmm_? -95.05 101.05 12.79 Favored 'General case' 0 C--N 1.324 -0.534 0 N-CA-C 109.287 -0.634 . . . . 0.0 109.287 179.872 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 87' ' ' LEU . . . . . . . . . . . . . 11.0 mp -106.98 162.89 18.24 Favored Pre-proline 0 C--N 1.318 -0.782 0 CA-C-N 115.891 -0.595 . . . . 0.0 109.474 175.532 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 88' ' ' PRO . . . . . . . . . . . . . 52.6 Cg_exo -56.16 139.7 86.08 Favored 'Trans proline' 0 C--O 1.235 0.341 0 C-N-CA 122.636 2.224 . . . . 0.0 112.684 -179.884 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 89' ' ' THR . . . . . . . . . . . . . 36.4 m -57.6 131.69 50.98 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 115.595 -0.729 . . . . 0.0 110.577 178.275 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 90' ' ' ALA . . . . . . . . . . . . . . . -64.11 109.52 1.86 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 115.995 -0.548 . . . . 0.0 111.251 -178.648 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 91' ' ' ASN . . . . . 0.416 ' CB ' ' HB3' ' A' ' 96' ' ' ALA . 71.5 m-20 -106.87 2.94 25.79 Favored 'General case' 0 C--N 1.325 -0.47 0 CA-C-N 115.763 -0.653 . . . . 0.0 109.868 177.657 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 92' ' ' GLY . . . . . 0.51 ' HA3' ' HA ' ' A' ' 100' ' ' ASP . . . -80.03 31.47 2.29 Favored Glycine 0 N--CA 1.452 -0.267 0 CA-C-N 115.716 -0.675 . . . . 0.0 113.644 -171.856 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 69.8 m-20 -93.48 20.27 7.45 Favored 'General case' 0 C--N 1.322 -0.605 0 CA-C-O 121.153 0.502 . . . . 0.0 110.297 176.825 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 94' ' ' GLY . . . . . . . . . . . . . . . 96.96 -12.91 65.52 Favored Glycine 0 N--CA 1.449 -0.497 0 CA-C-N 115.683 -0.689 . . . . 0.0 111.986 -177.511 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 95' ' ' GLY . . . . . . . . . . . . . . . -74.0 -33.68 56.91 Favored Glycine 0 N--CA 1.45 -0.422 0 C-N-CA 120.767 -0.73 . . . . 0.0 111.317 175.101 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 96' ' ' ALA . . . . . 0.416 ' HB3' ' CB ' ' A' ' 91' ' ' ASN . . . -148.98 162.9 38.98 Favored 'General case' 0 C--N 1.327 -0.408 0 N-CA-C 109.962 -0.384 . . . . 0.0 109.962 176.904 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 97' ' ' LEU . . . . . . . . . . . . . 91.0 mt -109.25 -169.9 1.56 Allowed 'General case' 0 C--N 1.323 -0.569 0 CA-C-N 116.256 -0.429 . . . . 0.0 109.982 178.939 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 98' ' ' ALA . . . . . . . . . . . . . . . 73.63 -53.91 0.69 Allowed 'General case' 0 N--CA 1.467 0.384 0 C-N-CA 123.629 0.772 . . . . 0.0 111.158 179.866 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 99' ' ' LEU . . . . . . . . . . . . . 4.1 mm? -78.31 0.84 23.84 Favored 'General case' 0 C--N 1.325 -0.498 0 CA-C-N 116.541 -0.299 . . . . 0.0 111.185 178.684 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 100' ' ' ASP . . . . . 0.51 ' HA ' ' HA3' ' A' ' 92' ' ' GLY . 5.6 p-10 -64.93 -30.62 71.62 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.831 -0.168 . . . . 0.0 110.926 178.808 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 12.1 p -67.6 -29.91 69.37 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-O 121.062 0.458 . . . . 0.0 110.886 177.993 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 102' ' ' LEU . . . . . . . . . . . . . 64.6 tp -86.45 -28.02 23.75 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 121.277 0.561 . . . . 0.0 110.093 177.515 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 103' ' ' THR . . . . . . . . . . . . . 44.6 m -65.82 -50.9 62.98 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-N 115.647 -0.706 . . . . 0.0 109.945 177.882 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 104' ' ' VAL . . . . . . . . . . . . . 4.9 p -111.99 88.62 1.15 Allowed 'Isoleucine or valine' 0 C--N 1.322 -0.62 0 CA-C-O 122.029 0.918 . . . . 0.0 109.258 172.759 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 105' ' ' LEU . . . . . . . . . . . . . 63.1 tp -109.87 -26.25 9.89 Favored 'General case' 0 C--N 1.323 -0.584 0 CA-C-N 115.21 -0.905 . . . . 0.0 110.44 -176.282 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 106' ' ' GLY . . . . . . . . . . . . . . . 120.19 -129.43 7.93 Favored Glycine 0 N--CA 1.442 -0.905 0 CA-C-N 115.637 -0.71 . . . . 0.0 111.473 -176.046 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 107' ' ' ALA . . . . . . . . . . . . . . . -86.36 117.97 25.49 Favored 'General case' 0 C--N 1.322 -0.6 0 CA-C-O 120.555 0.217 . . . . 0.0 110.686 179.405 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 108' ' ' GLY . . . . . . . . . . . . . . . 100.59 76.36 1.21 Allowed Glycine 0 N--CA 1.449 -0.473 0 C-N-CA 120.654 -0.784 . . . . 0.0 112.295 178.614 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 109' ' ' GLY . . . . . . . . . . . . . . . -124.83 -149.64 7.64 Favored Glycine 0 N--CA 1.447 -0.567 0 N-CA-C 111.522 -0.631 . . . . 0.0 111.522 179.067 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 110' ' ' ASN . . . . . . . . . . . . . 30.8 m-80 -70.96 137.94 49.57 Favored 'General case' 0 C--N 1.325 -0.491 0 CA-C-O 120.713 0.292 . . . . 0.0 110.686 176.736 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 111' ' ' ASN . . . . . 0.453 ' HA ' ' HA ' ' A' ' 64' ' ' ARG . 63.9 m-80 -75.24 63.03 1.31 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.913 178.305 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 112' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.249 1.03 0 CA-C-O 118.506 -0.759 . . . . 0.0 109.736 177.848 . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 12.0 m . . . . . 0 N--CA 1.478 0.936 0 CA-C-O 120.741 0.305 . . . . 0.0 110.768 . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' A' A ' 7' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -62.07 -33.68 74.87 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.318 -0.401 . . . . 0.0 111.714 -175.183 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -78.13 -37.27 46.54 Favored 'General case' 0 C--N 1.326 -0.438 0 CA-C-O 121.028 0.442 . . . . 0.0 110.727 -178.296 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 9' ' ' GLN . . . . . . . . . . . . . 95.0 mt-30 -79.0 -18.95 52.75 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.984 -179.275 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -81.17 -14.97 57.07 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-O 120.975 0.417 . . . . 0.0 110.869 177.222 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -90.21 2.94 54.86 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-O 121.255 0.55 . . . . 0.0 110.77 -179.444 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 13.9 pt20 -130.4 138.93 50.6 Favored 'General case' 0 C--N 1.323 -0.578 0 CA-C-N 115.871 -0.604 . . . . 0.0 109.985 178.686 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 48.5 mt-30 -125.65 141.08 52.21 Favored 'General case' 0 C--N 1.319 -0.75 0 CA-C-N 116.353 -0.385 . . . . 0.0 110.646 -177.577 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 14' ' ' LYS . . . . . 0.459 ' HB2' ' CZ ' ' A' ' 16' ' ' PHE . 35.4 mmtp -123.3 159.21 29.28 Favored 'General case' 0 C--N 1.322 -0.622 0 CA-C-N 115.823 -0.626 . . . . 0.0 110.011 179.23 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 15' ' ' ASN . . . . . . . . . . . . . 48.6 t-20 -89.82 101.87 14.57 Favored 'General case' 0 C--N 1.321 -0.642 0 CA-C-N 115.975 -0.557 . . . . 0.0 109.729 -179.73 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 16' ' ' PHE . . . . . 0.459 ' CZ ' ' HB2' ' A' ' 14' ' ' LYS . 47.4 m-85 -99.54 131.27 45.65 Favored 'General case' 0 C--N 1.324 -0.527 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.471 -177.452 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 61.1 t30 -139.37 89.89 2.37 Favored 'General case' 0 C--N 1.32 -0.717 0 CA-C-N 115.988 -0.551 . . . . 0.0 109.598 178.348 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 18' ' ' ILE . . . . . 0.495 ' HB ' ' HB3' ' A' ' 53' ' ' LEU . 8.9 mm -112.71 122.4 66.81 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.657 0 CA-C-N 116.076 -0.511 . . . . 0.0 110.606 -174.321 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -79.39 146.44 32.83 Favored 'General case' 0 C--N 1.323 -0.553 0 N-CA-C 108.016 -1.105 . . . . 0.0 108.016 169.138 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -64.76 102.03 0.54 Allowed 'General case' 0 C--N 1.33 -0.242 0 CA-C-O 121.543 0.687 . . . . 0.0 110.91 -173.643 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 21' ' ' GLN . . . . . . . . . . . . . 35.2 mt-30 -106.84 169.87 6.33 Favored Pre-proline 0 C--N 1.319 -0.747 0 CA-C-N 114.635 -1.166 . . . . 0.0 109.729 176.412 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 22' ' ' PRO . . . . . . . . . . . . . 41.5 Cg_exo -57.26 136.52 76.83 Favored 'Trans proline' 0 N--CA 1.462 -0.366 0 C-N-CA 121.696 1.598 . . . . 0.0 110.001 168.202 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -51.89 -42.86 63.02 Favored 'General case' 0 C--N 1.328 -0.352 0 N-CA-C 112.598 0.592 . . . . 0.0 112.598 -167.248 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 24' ' ' GLN . . . . . 0.461 ' HA ' HG21 ' A' ' 38' ' ' VAL . 97.8 mt-30 -60.13 -42.16 94.19 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.934 0.397 . . . . 0.0 111.124 179.448 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 25' ' ' SER . . . . . 0.48 ' O ' ' HG2' ' A' ' 29' ' ' ARG . 38.0 t -79.47 -29.24 41.64 Favored 'General case' 0 C--N 1.325 -0.475 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.712 -178.704 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -60.29 -54.57 44.13 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.003 -179.412 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 27' ' ' MET . . . . . 0.584 ' HB2' ' CG2' ' A' ' 38' ' ' VAL . 63.3 mtt -67.31 -30.71 70.63 Favored 'General case' 0 C--O 1.215 -0.722 0 CA-C-N 116.071 -0.513 . . . . 0.0 110.475 179.335 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 53.7 tp -58.2 -30.45 66.47 Favored 'General case' 0 C--N 1.321 -0.641 0 CA-C-O 120.953 0.406 . . . . 0.0 110.486 178.053 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 29' ' ' ARG . . . . . 0.48 ' HG2' ' O ' ' A' ' 25' ' ' SER . 26.4 mmt180 -76.6 -51.56 11.38 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-O 120.914 0.388 . . . . 0.0 111.117 179.286 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 0.4 OUTLIER -80.08 -50.24 10.61 Favored 'General case' 0 C--N 1.326 -0.449 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.813 -176.275 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 31' ' ' ALA . . . . . 0.421 ' HB1' ' HB2' ' A' ' 36' ' ' MET . . . -67.56 -29.9 69.4 Favored 'General case' 0 C--N 1.322 -0.622 0 CA-C-N 116.2 -0.454 . . . . 0.0 111.778 -171.503 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 16.2 mm-40 -60.82 -29.42 69.47 Favored 'General case' 0 N--CA 1.466 0.344 0 C-N-CA 120.426 -0.51 . . . . 0.0 111.314 176.773 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 33' ' ' GLN . . . . . . . . . . . . . 28.2 mt-30 -70.31 -30.33 67.3 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-O 121.049 0.452 . . . . 0.0 110.344 176.187 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -94.57 -5.63 45.45 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 115.977 -0.556 . . . . 0.0 111.27 180.0 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 84.67 38.17 9.85 Favored Glycine 0 N--CA 1.45 -0.379 0 C-N-CA 121.126 -0.559 . . . . 0.0 112.864 178.766 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 36' ' ' MET . . . . . 0.421 ' HB2' ' HB1' ' A' ' 31' ' ' ALA . 73.9 mtm -136.74 163.56 30.32 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-N 116.966 0.383 . . . . 0.0 110.894 -179.986 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 37' ' ' GLN . . . . . . . . . . . . . 41.9 mt-30 -146.43 161.8 39.62 Favored 'General case' 0 C--N 1.326 -0.428 0 CA-C-N 116.06 -0.518 . . . . 0.0 110.655 179.566 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 38' ' ' VAL . . . . . 0.584 ' CG2' ' HB2' ' A' ' 27' ' ' MET . 17.7 t -77.55 134.42 28.52 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.424 0 CA-C-N 115.688 -0.687 . . . . 0.0 110.224 -179.026 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 39' ' ' PHE . . . . . . . . . . . . . 70.1 t80 -136.09 118.16 15.4 Favored 'General case' 0 C--N 1.323 -0.548 0 CA-C-O 120.932 0.396 . . . . 0.0 111.148 -178.788 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 40' ' ' PHE . . . . . . . . . . . . . 59.7 m-85 -130.15 146.3 51.78 Favored 'General case' 0 C--N 1.321 -0.658 0 CA-C-N 115.763 -0.653 . . . . 0.0 109.768 173.305 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 6.8 p-10 -93.49 -162.01 0.9 Allowed 'General case' 0 C--N 1.323 -0.584 0 N-CA-C 109.076 -0.712 . . . . 0.0 109.076 174.597 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 31.5 mm-40 -68.2 89.19 0.31 Allowed 'General case' 0 C--N 1.324 -0.52 0 CA-C-O 121.33 0.586 . . . . 0.0 111.21 -179.634 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 43' ' ' VAL . . . . . . . . . . . . . 36.0 m -128.44 161.38 37.23 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.528 0 CA-C-N 115.552 -0.749 . . . . 0.0 110.178 179.491 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 29.3 ttpp -98.36 89.59 4.51 Favored 'General case' 0 C--N 1.324 -0.532 0 CA-C-O 121.073 0.463 . . . . 0.0 110.208 -179.8 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 58.0 tp -144.56 114.28 7.23 Favored 'General case' 0 C--N 1.325 -0.493 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.297 -178.337 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 36.1 m-20 -130.44 151.9 50.42 Favored 'General case' 0 C--N 1.325 -0.466 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.314 -178.485 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 70.51 22.84 77.9 Favored Glycine 0 N--CA 1.452 -0.29 0 C-N-CA 120.972 -0.632 . . . . 0.0 113.319 174.085 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 48' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -85.25 123.05 30.3 Favored 'General case' 0 C--N 1.324 -0.543 0 CA-C-O 121.144 0.497 . . . . 0.0 110.546 179.756 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 20.6 pt20 -127.63 168.6 14.8 Favored 'General case' 0 C--N 1.325 -0.477 0 CA-C-N 116.011 -0.54 . . . . 0.0 110.219 -179.867 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -88.39 156.42 19.15 Favored 'General case' 0 C--N 1.321 -0.635 0 CA-C-N 116.015 -0.539 . . . . 0.0 110.807 -179.325 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -88.68 173.49 8.57 Favored 'General case' 0 C--N 1.323 -0.574 0 CA-C-N 115.829 -0.623 . . . . 0.0 110.604 179.637 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -65.92 120.67 13.51 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.945 179.621 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 53' ' ' LEU . . . . . 0.495 ' HB3' ' HB ' ' A' ' 18' ' ' ILE . 1.2 tm? -130.06 111.6 12.64 Favored 'General case' 0 C--N 1.326 -0.444 0 CA-C-N 116.317 -0.402 . . . . 0.0 110.626 -174.572 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 54' ' ' ASN . . . . . . . . . . . . . 27.6 t-20 -151.53 102.07 2.85 Favored 'General case' 0 C--N 1.324 -0.504 0 CA-C-N 116.11 -0.496 . . . . 0.0 109.895 174.204 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . 179.02 165.81 33.95 Favored Glycine 0 N--CA 1.449 -0.493 0 C-N-CA 120.626 -0.797 . . . . 0.0 112.45 -179.111 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 56' ' ' SER . . . . . 0.456 ' HA ' ' O ' ' A' ' 14' ' ' LYS . 10.1 p -107.13 116.91 32.75 Favored 'General case' 0 C--N 1.324 -0.523 0 CA-C-O 120.962 0.411 . . . . 0.0 110.043 176.729 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 57' ' ' MET . . . . . . . . . . . . . 11.0 ptt? -164.96 -173.12 2.81 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-N 116.058 -0.519 . . . . 0.0 110.866 -173.344 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 18.9 m -90.46 172.17 8.91 Favored 'General case' 0 C--N 1.325 -0.473 0 CA-C-N 116.636 -0.256 . . . . 0.0 111.25 -177.022 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 59' ' ' VAL . . . . . 0.477 ' O ' HD23 ' A' ' 63' ' ' LEU . 24.5 t -54.48 -50.47 57.98 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.265 0 CA-C-O 120.675 0.274 . . . . 0.0 110.602 178.96 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 60' ' ' GLU . . . . . 0.448 ' O ' ' HG3' ' A' ' 64' ' ' ARG . 53.0 mt-10 -52.99 -52.67 57.56 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-N 115.931 -0.577 . . . . 0.0 110.964 -179.725 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 61' ' ' GLN . . . . . 0.414 ' HA ' ' HD2' ' A' ' 64' ' ' ARG . 17.7 mt-30 -65.3 -37.05 85.96 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.32 -0.4 . . . . 0.0 111.276 -178.465 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . -62.33 -54.67 32.65 Favored Glycine 0 N--CA 1.446 -0.646 0 C-N-CA 121.199 -0.524 . . . . 0.0 112.43 -177.822 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 63' ' ' LEU . . . . . 0.495 HD12 HD11 ' A' ' 67' ' ' ILE . 3.9 mm? -64.14 -25.8 68.25 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-O 120.837 0.351 . . . . 0.0 110.825 -178.523 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 64' ' ' ARG . . . . . 0.81 ' HA ' ' OD1' ' A' ' 111' ' ' ASN . 78.2 mtt180 -62.62 -51.21 68.18 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 116.222 -0.445 . . . . 0.0 111.424 178.966 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 65' ' ' ARG . . . . . . . . . . . . . 71.2 mtp180 -80.29 -16.06 55.52 Favored 'General case' 0 C--N 1.323 -0.56 0 CA-C-N 116.229 -0.442 . . . . 0.0 111.436 -179.792 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 48.4 tp -89.95 -39.46 12.98 Favored 'General case' 0 C--N 1.323 -0.565 0 N-CA-C 112.659 0.614 . . . . 0.0 112.659 -172.111 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 67' ' ' ILE . . . . . 0.495 HD11 HD12 ' A' ' 63' ' ' LEU . 65.5 mt -88.69 -65.44 0.96 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 N-CA-C 113.17 0.804 . . . . 0.0 113.17 -170.524 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . -114.86 -62.15 0.39 Allowed Glycine 0 N--CA 1.447 -0.601 0 C-N-CA 119.519 -1.324 . . . . 0.0 114.691 -169.789 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . 85.6 -21.95 12.55 Favored Glycine 0 N--CA 1.451 -0.348 0 N-CA-C 110.388 -1.085 . . . . 0.0 110.388 -166.405 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 70' ' ' ASN . . . . . 0.42 ' HB2' ' HD2' ' A' ' 71' ' ' PRO . 7.2 p30 -102.66 158.23 32.17 Favored Pre-proline 0 C--N 1.327 -0.398 0 N-CA-C 108.769 -0.826 . . . . 0.0 108.769 170.612 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 71' ' ' PRO . . . . . 0.42 ' HD2' ' HB2' ' A' ' 70' ' ' ASN . 19.7 Cg_endo -58.44 99.29 0.1 Allowed 'Trans proline' 0 C--N 1.349 0.559 0 C-N-CA 122.843 2.362 . . . . 0.0 113.461 -177.607 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 72' ' ' VAL . . . . . 0.457 HG23 ' HG2' ' A' ' 86' ' ' ARG . 9.5 p -150.91 135.81 10.01 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 CA-C-N 115.46 -0.791 . . . . 0.0 109.274 174.775 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -97.76 136.11 38.57 Favored 'General case' 0 C--N 1.322 -0.602 0 CA-C-O 120.808 0.337 . . . . 0.0 111.782 -168.573 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 74' ' ' PHE . . . . . . . . . . . . . 10.0 p90 -107.72 119.55 39.75 Favored 'General case' 0 C--N 1.324 -0.508 0 CA-C-N 115.944 -0.571 . . . . 0.0 109.913 177.382 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 75' ' ' ARG . . . . . . . . . . . . . 79.9 mtm180 -101.7 110.38 22.36 Favored 'General case' 0 C--N 1.32 -0.705 0 CA-C-N 116.017 -0.538 . . . . 0.0 110.651 -178.185 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 76' ' ' LEU . . . . . . . . . . . . . 81.6 mt -85.34 100.37 11.77 Favored 'General case' 0 C--N 1.326 -0.449 0 CA-C-N 115.65 -0.705 . . . . 0.0 110.146 -179.503 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 77' ' ' GLN . . . . . . . . . . . . . 84.8 mm-40 -89.64 140.88 28.18 Favored Pre-proline 0 C--N 1.322 -0.607 0 CA-C-N 115.934 -0.575 . . . . 0.0 110.808 -177.518 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 78' ' ' PRO . . . . . . . . . . . . . 49.4 Cg_endo -68.65 -0.51 6.12 Favored 'Trans proline' 0 C--N 1.347 0.456 0 C-N-CA 123.162 2.575 . . . . 0.0 112.557 -178.389 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 79' ' ' GLN . . . . . . . . . . . . . 14.1 mm100 -81.62 -2.61 50.82 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.061 -0.518 . . . . 0.0 110.128 176.383 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . 85.08 36.88 10.51 Favored Glycine 0 N--CA 1.445 -0.705 0 N-CA-C 110.994 -0.842 . . . . 0.0 110.994 -175.175 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 81' ' ' GLN . . . . . . . . . . . . . 78.2 mt-30 -128.72 129.51 45.85 Favored 'General case' 0 C--N 1.325 -0.457 0 CA-C-O 120.677 0.275 . . . . 0.0 111.2 -175.364 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 82' ' ' ILE . . . . . . . . . . . . . 45.8 mt -102.23 99.55 8.62 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.579 0 N-CA-C 108.746 -0.835 . . . . 0.0 108.746 170.963 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 83' ' ' VAL . . . . . . . . . . . . . 41.0 t -99.24 120.61 48.83 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.592 0 CA-C-N 116.024 -0.535 . . . . 0.0 110.387 -176.435 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 84' ' ' LEU . . . . . . . . . . . . . 19.8 tp -89.82 146.35 24.51 Favored 'General case' 0 C--N 1.322 -0.61 0 CA-C-N 116.321 -0.4 . . . . 0.0 110.226 179.915 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 85' ' ' SER . . . . . . . . . . . . . 3.6 p -156.27 128.7 7.64 Favored 'General case' 0 C--N 1.322 -0.592 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.63 -179.571 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 86' ' ' ARG . . . . . 0.457 ' HG2' HG23 ' A' ' 72' ' ' VAL . 80.0 mtt-85 -82.53 77.44 9.3 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-O 121.159 0.504 . . . . 0.0 111.436 -178.153 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 87' ' ' LEU . . . . . . . . . . . . . 11.2 mp -73.85 136.49 76.91 Favored Pre-proline 0 C--N 1.323 -0.548 0 CA-C-N 115.636 -0.711 . . . . 0.0 109.783 174.168 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 88' ' ' PRO . . . . . . . . . . . . . 33.2 Cg_endo -64.79 148.41 90.04 Favored 'Trans proline' 0 C--O 1.234 0.276 0 C-N-CA 122.893 2.395 . . . . 0.0 112.237 179.567 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 89' ' ' THR . . . . . . . . . . . . . 24.6 m -58.57 106.78 0.43 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 115.968 -0.56 . . . . 0.0 110.695 178.299 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 90' ' ' ALA . . . . . . . . . . . . . . . -72.67 136.89 45.71 Favored 'General case' 0 C--N 1.325 -0.494 0 CA-C-N 116.119 -0.492 . . . . 0.0 110.857 -179.619 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 91' ' ' ASN . . . . . . . . . . . . . 43.1 t30 -130.2 -49.37 1.1 Allowed 'General case' 0 C--N 1.324 -0.52 0 CA-C-O 121.173 0.511 . . . . 0.0 110.27 178.145 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 92' ' ' GLY . . . . . . . . . . . . . . . -97.5 31.72 7.5 Favored Glycine 0 N--CA 1.449 -0.457 0 CA-C-N 115.794 -0.639 . . . . 0.0 112.585 -177.252 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 6.7 p-10 -69.43 -31.61 70.06 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-O 120.811 0.339 . . . . 0.0 110.759 -179.769 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 94' ' ' GLY . . . . . . . . . . . . . . . 94.88 -7.89 70.38 Favored Glycine 0 N--CA 1.451 -0.345 0 C-N-CA 120.908 -0.663 . . . . 0.0 113.311 174.823 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 95' ' ' GLY . . . . . . . . . . . . . . . 125.87 48.15 0.2 Allowed Glycine 0 N--CA 1.448 -0.543 0 C-N-CA 120.596 -0.812 . . . . 0.0 112.28 -179.292 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 96' ' ' ALA . . . . . . . . . . . . . . . -98.45 135.35 40.14 Favored 'General case' 0 C--N 1.322 -0.63 0 CA-C-O 120.673 0.273 . . . . 0.0 110.653 179.671 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 97' ' ' LEU . . . . . 0.517 HD23 ' H ' ' A' ' 97' ' ' LEU . 2.6 pt? -66.5 153.62 42.44 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 115.978 -0.555 . . . . 0.0 110.238 177.294 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 98' ' ' ALA . . . . . . . . . . . . . . . 74.8 -49.62 0.66 Allowed 'General case' 0 N--CA 1.468 0.466 0 C-N-CA 123.729 0.811 . . . . 0.0 110.547 -176.559 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 99' ' ' LEU . . . . . . . . . . . . . 3.5 mm? -64.72 -27.37 68.86 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 116.241 -0.436 . . . . 0.0 109.93 175.598 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 100' ' ' ASP . . . . . . . . . . . . . 3.2 p30 -59.47 -32.09 69.93 Favored 'General case' 0 C--O 1.233 0.216 0 CA-C-N 115.572 -0.74 . . . . 0.0 111.533 179.65 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 20.0 m -81.49 -21.29 38.79 Favored 'General case' 0 C--N 1.325 -0.461 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.865 -175.214 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 102' ' ' LEU . . . . . . . . . . . . . 94.3 mt -73.92 -25.28 59.9 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-O 121.088 0.47 . . . . 0.0 110.08 177.803 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 103' ' ' THR . . . . . . . . . . . . . 6.8 m -77.17 -31.51 55.54 Favored 'General case' 0 C--N 1.325 -0.476 0 CA-C-N 115.794 -0.639 . . . . 0.0 110.388 177.236 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 104' ' ' VAL . . . . . . . . . . . . . 40.7 t -91.96 89.47 2.92 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 CA-C-N 115.944 -0.571 . . . . 0.0 110.393 -177.922 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 105' ' ' LEU . . . . . 0.401 HD22 ' HA ' ' A' ' 105' ' ' LEU . 0.3 OUTLIER -102.85 -70.06 0.77 Allowed 'General case' 0 C--N 1.322 -0.59 0 N-CA-C 108.87 -0.789 . . . . 0.0 108.87 178.064 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 106' ' ' GLY . . . . . . . . . . . . . . . 65.73 -172.95 23.08 Favored Glycine 0 N--CA 1.451 -0.316 0 C-N-CA 121.053 -0.594 . . . . 0.0 112.971 177.206 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 107' ' ' ALA . . . . . . . . . . . . . . . -99.25 130.28 45.54 Favored 'General case' 0 C--N 1.321 -0.652 0 N-CA-C 110.123 -0.325 . . . . 0.0 110.123 178.148 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 108' ' ' GLY . . . . . . . . . . . . . . . 154.22 -94.18 0.14 Allowed Glycine 0 N--CA 1.445 -0.738 0 C-N-CA 120.804 -0.713 . . . . 0.0 111.852 -178.492 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 109' ' ' GLY . . . . . . . . . . . . . . . 178.75 101.69 0.15 Allowed Glycine 0 N--CA 1.447 -0.619 0 C-N-CA 120.751 -0.738 . . . . 0.0 112.425 178.989 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 110' ' ' ASN . . . . . 0.464 ' HA ' ' HB3' ' A' ' 64' ' ' ARG . 21.3 p-10 -161.2 147.5 14.56 Favored 'General case' 0 C--N 1.323 -0.566 0 CA-C-O 120.977 0.417 . . . . 0.0 110.532 175.024 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 111' ' ' ASN . . . . . 0.81 ' OD1' ' HA ' ' A' ' 64' ' ' ARG . 31.3 p-10 -95.2 -31.85 13.31 Favored 'General case' 0 C--N 1.323 -0.564 0 CA-C-N 115.748 -0.66 . . . . 0.0 109.505 175.872 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 112' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.25 1.109 0 CA-C-N 115.768 -0.651 . . . . 0.0 109.747 177.211 . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 19.5 m . . . . . 0 N--CA 1.477 0.884 0 CA-C-O 120.972 0.415 . . . . 0.0 110.717 . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' A' A ' 7' ' ' MET . . . . . . . . . . . . . 21.9 ptp -123.88 8.81 8.75 Favored 'General case' 0 C--N 1.326 -0.443 0 CA-C-N 116.351 -0.386 . . . . 0.0 111.0 -178.896 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -71.46 -41.65 69.15 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-O 120.924 0.392 . . . . 0.0 110.666 -178.237 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 9' ' ' GLN . . . . . . . . . . . . . 12.5 pm0 -82.0 -15.5 53.49 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-N 116.076 -0.511 . . . . 0.0 110.193 179.968 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -77.6 -15.37 59.27 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 115.806 -0.634 . . . . 0.0 110.955 -177.982 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -69.03 131.35 44.9 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-N 116.112 -0.495 . . . . 0.0 110.054 177.349 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 52.1 tt0 -87.05 98.95 11.56 Favored 'General case' 0 C--N 1.32 -0.685 0 CA-C-N 116.346 -0.388 . . . . 0.0 110.065 -178.878 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 15.7 mm100 -113.82 99.17 7.49 Favored 'General case' 0 C--N 1.323 -0.544 0 CA-C-O 120.864 0.364 . . . . 0.0 110.2 179.393 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 14' ' ' LYS . . . . . 0.58 ' O ' ' HA ' ' A' ' 56' ' ' SER . 33.8 mmtp -110.47 147.15 34.67 Favored 'General case' 0 C--N 1.322 -0.619 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.612 -178.997 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 15' ' ' ASN . . . . . . . . . . . . . 52.6 t30 -84.33 109.64 17.98 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-N 115.819 -0.628 . . . . 0.0 110.052 -178.377 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 16' ' ' PHE . . . . . 0.553 ' O ' ' HA ' ' A' ' 54' ' ' ASN . 23.9 m-85 -99.73 130.14 45.92 Favored 'General case' 0 C--N 1.32 -0.699 0 CA-C-N 116.405 -0.361 . . . . 0.0 110.248 -178.249 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 13.5 m120 -124.26 89.93 3.17 Favored 'General case' 0 C--N 1.324 -0.537 0 N-CA-C 109.228 -0.656 . . . . 0.0 109.228 -179.928 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 18' ' ' ILE . . . . . 0.484 HG21 HD11 ' A' ' 66' ' ' LEU . 12.2 mm -118.58 113.36 41.56 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.6 0 CA-C-N 116.321 -0.399 . . . . 0.0 111.188 -174.634 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -78.31 161.77 26.98 Favored 'General case' 0 C--N 1.324 -0.528 0 N-CA-C 108.765 -0.828 . . . . 0.0 108.765 170.407 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -68.12 101.66 1.19 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 121.48 0.657 . . . . 0.0 110.465 -177.253 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 21' ' ' GLN . . . . . . . . . . . . . 71.2 mt-30 -106.92 172.51 3.79 Favored Pre-proline 0 C--N 1.32 -0.708 0 CA-C-N 114.851 -1.068 . . . . 0.0 110.092 176.237 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 22' ' ' PRO . . . . . . . . . . . . . 22.6 Cg_exo -66.17 143.71 72.36 Favored 'Trans proline' 0 N--CA 1.459 -0.516 0 C-N-CA 121.83 1.686 . . . . 0.0 109.808 164.459 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -49.19 -45.32 44.05 Favored 'General case' 0 C--N 1.327 -0.406 0 N-CA-C 112.657 0.614 . . . . 0.0 112.657 -169.708 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -60.36 -48.45 81.7 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-O 120.737 0.303 . . . . 0.0 110.53 -178.38 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 37.7 t -66.78 -33.58 75.93 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.761 178.953 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -54.96 -58.81 6.13 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 121.065 0.46 . . . . 0.0 111.386 -177.539 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 27' ' ' MET . . . . . 0.575 ' HB2' ' CG2' ' A' ' 38' ' ' VAL . 52.1 mtt -72.8 -25.14 61.04 Favored 'General case' 0 C--N 1.324 -0.504 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.214 179.835 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 28' ' ' LEU . . . . . 0.62 ' O ' ' HB3' ' A' ' 32' ' ' GLU . 41.5 tp -64.37 -29.03 70.11 Favored 'General case' 0 C--N 1.321 -0.64 0 N-CA-C 110.072 -0.344 . . . . 0.0 110.072 177.585 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 29' ' ' ARG . . . . . 0.488 ' HD3' ' OE2' ' A' ' 32' ' ' GLU . 14.6 mmt180 -90.68 -39.37 12.49 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.284 -0.416 . . . . 0.0 111.499 178.744 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 30' ' ' PHE . . . . . 0.451 ' HE1' ' CE1' ' A' ' 16' ' ' PHE . 7.2 t80 -69.28 -51.54 36.34 Favored 'General case' 0 C--N 1.322 -0.613 0 CA-C-O 121.452 0.644 . . . . 0.0 110.958 177.475 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 31' ' ' ALA . . . . . 0.43 ' HB1' ' HB2' ' A' ' 36' ' ' MET . . . -82.98 -16.98 45.1 Favored 'General case' 0 C--N 1.318 -0.792 0 CA-C-N 115.593 -0.731 . . . . 0.0 112.056 -170.623 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 32' ' ' GLU . . . . . 0.62 ' HB3' ' O ' ' A' ' 28' ' ' LEU . 11.0 pt-20 -58.91 -33.41 70.53 Favored 'General case' 0 N--CA 1.467 0.4 0 C-N-CA 120.447 -0.501 . . . . 0.0 110.51 176.971 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 33' ' ' GLN . . . . . 0.443 ' HG3' ' HG3' ' A' ' 32' ' ' GLU . 90.1 mt-30 -90.29 -24.87 20.78 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.832 -179.707 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -82.21 -27.65 32.42 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.301 -0.409 . . . . 0.0 111.474 179.384 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 101.49 36.85 3.67 Favored Glycine 0 N--CA 1.45 -0.395 0 C-N-CA 121.155 -0.545 . . . . 0.0 112.587 179.716 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 36' ' ' MET . . . . . 0.43 ' HB2' ' HB1' ' A' ' 31' ' ' ALA . 70.2 mtm -142.4 174.91 10.2 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-O 120.594 0.235 . . . . 0.0 110.666 -178.93 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 37' ' ' GLN . . . . . . . . . . . . . 9.0 tt0 -155.88 162.21 40.46 Favored 'General case' 0 C--N 1.329 -0.309 0 N-CA-C 109.325 -0.62 . . . . 0.0 109.325 178.312 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 38' ' ' VAL . . . . . 0.575 ' CG2' ' HB2' ' A' ' 27' ' ' MET . 11.0 t -76.26 116.34 19.19 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-O 120.714 0.292 . . . . 0.0 110.985 -174.658 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 39' ' ' PHE . . . . . . . . . . . . . 81.0 t80 -104.03 98.66 8.45 Favored 'General case' 0 C--N 1.324 -0.53 0 N-CA-C 108.624 -0.88 . . . . 0.0 108.624 173.577 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 40' ' ' PHE . . . . . . . . . . . . . 13.9 p90 -125.79 140.84 52.34 Favored 'General case' 0 C--N 1.32 -0.683 0 CA-C-N 116.007 -0.542 . . . . 0.0 111.18 -171.726 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 21.2 m-20 -114.98 -85.72 0.61 Allowed 'General case' 0 C--N 1.323 -0.586 0 CA-C-N 115.589 -0.732 . . . . 0.0 110.163 178.194 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 77.5 mm-40 -101.8 89.95 3.84 Favored 'General case' 0 C--N 1.323 -0.57 0 CA-C-O 121.084 0.469 . . . . 0.0 110.632 178.004 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 43' ' ' VAL . . . . . . . . . . . . . 30.2 m -132.84 -176.35 1.7 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.513 0 CA-C-N 115.736 -0.665 . . . . 0.0 110.103 179.218 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 44' ' ' LYS . . . . . 0.402 ' HB2' ' HE3' ' A' ' 44' ' ' LYS . 34.4 ttmt -73.11 148.1 44.28 Favored 'General case' 0 C--N 1.321 -0.633 0 CA-C-O 121.099 0.476 . . . . 0.0 110.03 177.203 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 45' ' ' LEU . . . . . 0.569 HD22 ' H ' ' A' ' 45' ' ' LEU . 2.7 mm? -60.46 138.13 58.05 Favored 'General case' 0 C--N 1.325 -0.458 0 CA-C-N 115.3 -0.864 . . . . 0.0 110.558 -178.181 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 24.3 t70 -55.88 145.94 23.35 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-N 115.615 -0.721 . . . . 0.0 110.587 179.195 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 123.64 -17.04 7.84 Favored Glycine 0 N--CA 1.444 -0.827 0 N-CA-C 109.736 -1.346 . . . . 0.0 109.736 -168.138 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 48' ' ' MET . . . . . . . . . . . . . 12.9 tpt -56.71 122.03 11.16 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 114.622 -0.789 . . . . 0.0 109.724 170.857 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 28.5 mt-30 -67.7 131.46 45.62 Favored 'General case' 0 C--N 1.323 -0.56 0 CA-C-N 116.283 -0.417 . . . . 0.0 111.294 -178.197 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -82.96 143.89 30.36 Favored 'General case' 0 C--N 1.317 -0.814 0 N-CA-C 109.119 -0.697 . . . . 0.0 109.119 171.855 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -69.43 144.15 53.4 Favored 'General case' 0 C--N 1.322 -0.628 0 CA-C-N 116.402 -0.363 . . . . 0.0 110.499 -179.081 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -66.8 89.96 0.17 Allowed 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.613 178.755 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 50.0 tp -95.12 118.4 31.86 Favored 'General case' 0 C--N 1.323 -0.555 0 CA-C-N 115.573 -0.74 . . . . 0.0 110.817 -176.844 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 54' ' ' ASN . . . . . 0.553 ' HA ' ' O ' ' A' ' 16' ' ' PHE . 6.6 t30 -143.56 98.9 3.33 Favored 'General case' 0 C--N 1.322 -0.622 0 CA-C-N 115.964 -0.562 . . . . 0.0 109.617 176.452 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . 177.98 168.32 37.31 Favored Glycine 0 N--CA 1.447 -0.599 0 C-N-CA 120.846 -0.693 . . . . 0.0 112.054 -179.754 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 56' ' ' SER . . . . . 0.58 ' HA ' ' O ' ' A' ' 14' ' ' LYS . 44.2 m -101.12 112.89 25.48 Favored 'General case' 0 C--N 1.324 -0.543 0 CA-C-O 120.78 0.324 . . . . 0.0 110.559 177.928 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 57' ' ' MET . . . . . . . . . . . . . 21.8 ptp -154.82 -174.51 5.01 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.076 -0.511 . . . . 0.0 110.445 -178.926 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 58' ' ' SER . . . . . 0.511 ' HB2' ' OE1' ' A' ' 61' ' ' GLN . 16.4 m -87.79 176.67 7.28 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 116.703 -0.226 . . . . 0.0 111.493 -179.06 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 59' ' ' VAL . . . . . . . . . . . . . 46.8 t -64.37 -44.93 97.22 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 N-CA-C 110.195 -0.298 . . . . 0.0 110.195 -179.927 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 60' ' ' GLU . . . . . 0.454 ' O ' ' HG3' ' A' ' 64' ' ' ARG . 59.2 mm-40 -52.12 -62.75 1.44 Allowed 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 115.942 -0.572 . . . . 0.0 110.934 178.299 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 61' ' ' GLN . . . . . 0.511 ' OE1' ' HB2' ' A' ' 58' ' ' SER . 22.7 mp0 -55.76 -43.17 76.44 Favored 'General case' 0 C--O 1.234 0.286 0 CA-C-N 115.799 -0.637 . . . . 0.0 111.152 -178.623 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . -58.12 -58.31 15.24 Favored Glycine 0 N--CA 1.445 -0.745 0 C-N-CA 121.053 -0.594 . . . . 0.0 112.143 -179.197 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 63' ' ' LEU . . . . . 0.511 ' O ' HG13 ' A' ' 67' ' ' ILE . 4.5 mm? -57.85 -45.7 85.87 Favored 'General case' 0 C--N 1.327 -0.388 0 C-N-CA 122.329 0.252 . . . . 0.0 111.642 -176.509 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 64' ' ' ARG . . . . . 0.454 ' HG3' ' O ' ' A' ' 60' ' ' GLU . 94.8 mtt180 -52.28 -52.57 52.0 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-O 120.796 0.331 . . . . 0.0 111.346 -179.678 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 65' ' ' ARG . . . . . . . . . . . . . 89.4 mtt180 -79.67 -29.73 40.95 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 115.98 -0.555 . . . . 0.0 111.253 -175.518 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 66' ' ' LEU . . . . . 0.484 HD11 HG21 ' A' ' 18' ' ' ILE . 45.7 tp -69.61 -48.09 61.22 Favored 'General case' 0 C--N 1.323 -0.546 0 CA-C-N 115.633 -0.712 . . . . 0.0 112.067 -174.806 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 67' ' ' ILE . . . . . 0.511 HG13 ' O ' ' A' ' 63' ' ' LEU . 11.6 mt -75.7 -66.06 0.64 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.436 0 C-N-CA 120.429 -0.509 . . . . 0.0 110.884 -173.352 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . -116.83 -50.9 0.39 Allowed Glycine 0 N--CA 1.45 -0.403 0 C-N-CA 120.9 -0.667 . . . . 0.0 113.196 -178.634 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . 104.48 -0.7 43.01 Favored Glycine 0 N--CA 1.447 -0.627 0 N-CA-C 110.644 -0.982 . . . . 0.0 110.644 -167.02 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 70' ' ' ASN . . . . . . . . . . . . . 83.2 m-20 -100.88 159.34 29.8 Favored Pre-proline 0 C--N 1.328 -0.353 0 CA-C-N 115.361 -0.419 . . . . 0.0 109.895 177.601 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 71' ' ' PRO . . . . . . . . . . . . . 24.9 Cg_exo -64.97 124.2 12.73 Favored 'Trans proline' 0 C--N 1.345 0.366 0 C-N-CA 122.58 2.187 . . . . 0.0 111.13 171.884 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 72' ' ' VAL . . . . . 0.441 HG23 ' O ' ' A' ' 109' ' ' GLY . 1.0 OUTLIER -150.75 162.56 3.34 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.524 0 N-CA-C 109.425 -0.583 . . . . 0.0 109.425 -176.152 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -108.41 118.32 36.47 Favored 'General case' 0 N--CA 1.444 -0.761 0 C-N-CA 120.645 -0.422 . . . . 0.0 109.869 -177.897 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 74' ' ' PHE . . . . . 0.411 ' HB3' ' HG ' ' A' ' 84' ' ' LEU . 38.6 p90 -133.24 118.69 18.89 Favored 'General case' 0 C--N 1.317 -0.835 0 CA-C-O 121.494 0.664 . . . . 0.0 109.628 179.732 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 75' ' ' ARG . . . . . . . . . . . . . 75.0 ttt180 -97.09 115.55 27.7 Favored 'General case' 0 C--N 1.319 -0.748 0 CA-C-N 115.625 -0.716 . . . . 0.0 110.35 -175.622 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 76' ' ' LEU . . . . . . . . . . . . . 2.5 mm? -82.87 99.83 9.98 Favored 'General case' 0 C--N 1.324 -0.533 0 N-CA-C 109.048 -0.723 . . . . 0.0 109.048 177.945 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 77' ' ' GLN . . . . . 0.435 ' HA ' ' HD3' ' A' ' 78' ' ' PRO . 0.0 OUTLIER -88.18 132.36 39.84 Favored Pre-proline 0 N--CA 1.443 -0.809 0 CA-C-N 116.348 -0.387 . . . . 0.0 110.178 -177.623 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 78' ' ' PRO . . . . . 0.435 ' HD3' ' HA ' ' A' ' 77' ' ' GLN . 50.8 Cg_exo -56.51 -17.32 21.48 Favored 'Trans proline' 0 C--N 1.353 0.767 0 C-N-CA 123.754 2.969 . . . . 0.0 114.373 -173.71 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 79' ' ' GLN . . . . . . . . . . . . . 42.7 mt-30 -82.77 15.53 2.62 Favored 'General case' 0 C--N 1.325 -0.457 0 CA-C-O 120.978 0.418 . . . . 0.0 110.945 178.386 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . 78.02 39.69 23.09 Favored Glycine 0 N--CA 1.446 -0.654 0 C-N-CA 121.037 -0.601 . . . . 0.0 112.578 176.227 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 81' ' ' GLN . . . . . . . . . . . . . 27.6 mt-30 -131.74 119.12 20.88 Favored 'General case' 0 C--N 1.324 -0.522 0 CA-C-O 120.716 0.293 . . . . 0.0 110.994 -177.938 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 82' ' ' ILE . . . . . . . . . . . . . 56.9 mt -89.47 101.97 12.63 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 N-CA-C 109.503 -0.554 . . . . 0.0 109.503 175.501 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 83' ' ' VAL . . . . . . . . . . . . . 28.8 t -94.2 100.74 11.65 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.407 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.226 -177.988 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 84' ' ' LEU . . . . . 0.622 HD23 ' N ' ' A' ' 85' ' ' SER . 3.9 tt -94.72 136.83 34.57 Favored 'General case' 0 C--N 1.323 -0.56 0 N-CA-C 109.723 -0.473 . . . . 0.0 109.723 -178.567 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 85' ' ' SER . . . . . 0.622 ' N ' HD23 ' A' ' 84' ' ' LEU . 21.4 m -141.27 144.25 34.55 Favored 'General case' 0 N--CA 1.451 -0.381 0 CA-C-N 116.306 -0.407 . . . . 0.0 109.948 179.981 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 86' ' ' ARG . . . . . . . . . . . . . 64.6 ttt-85 -87.37 94.53 9.71 Favored 'General case' 0 C--N 1.323 -0.57 0 CA-C-O 120.949 0.404 . . . . 0.0 110.822 -178.898 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 87' ' ' LEU . . . . . 0.414 HD13 ' HA ' ' A' ' 87' ' ' LEU . 3.9 mm? -109.37 101.7 46.63 Favored Pre-proline 0 C--N 1.323 -0.573 0 CA-C-N 116.431 -0.349 . . . . 0.0 110.661 177.667 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 88' ' ' PRO . . . . . . . . . . . . . 57.1 Cg_endo -72.38 163.46 38.56 Favored 'Trans proline' 0 C--O 1.236 0.399 0 C-N-CA 122.63 2.22 . . . . 0.0 112.241 177.703 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 89' ' ' THR . . . . . . . . . . . . . 21.6 m -101.46 95.69 6.65 Favored 'General case' 0 C--N 1.325 -0.46 0 CA-C-N 116.242 -0.435 . . . . 0.0 111.396 -176.842 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 90' ' ' ALA . . . . . . . . . . . . . . . -79.94 108.91 13.89 Favored 'General case' 0 C--N 1.321 -0.665 0 N-CA-C 110.033 -0.358 . . . . 0.0 110.033 175.56 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 91' ' ' ASN . . . . . . . . . . . . . 2.9 p-10 -82.46 -17.59 44.71 Favored 'General case' 0 C--N 1.326 -0.438 0 CA-C-O 121.278 0.561 . . . . 0.0 110.012 178.86 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 92' ' ' GLY . . . . . . . . . . . . . . . -92.66 31.61 6.05 Favored Glycine 0 N--CA 1.447 -0.615 0 CA-C-N 115.584 -0.735 . . . . 0.0 111.633 175.714 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 93' ' ' ASP . . . . . 0.495 ' HB2' ' HB3' ' A' ' 96' ' ' ALA . 5.0 p-10 -58.51 -36.57 74.03 Favored 'General case' 0 C--N 1.333 -0.146 0 CA-C-O 120.85 0.357 . . . . 0.0 111.4 -177.096 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 94' ' ' GLY . . . . . . . . . . . . . . . 74.94 10.11 83.81 Favored Glycine 0 N--CA 1.45 -0.414 0 C-N-CA 121.242 -0.504 . . . . 0.0 113.643 173.202 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 95' ' ' GLY . . . . . . . . . . . . . . . 135.74 49.19 0.08 OUTLIER Glycine 0 N--CA 1.449 -0.462 0 C-N-CA 120.344 -0.931 . . . . 0.0 112.407 -179.1 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 96' ' ' ALA . . . . . 0.495 ' HB3' ' HB2' ' A' ' 93' ' ' ASP . . . -126.46 98.33 5.38 Favored 'General case' 0 C--N 1.32 -0.675 0 N-CA-C 109.689 -0.486 . . . . 0.0 109.689 176.295 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 97' ' ' LEU . . . . . . . . . . . . . 90.0 mt -74.42 -32.18 62.57 Favored 'General case' 0 C--N 1.325 -0.466 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.975 -173.098 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 98' ' ' ALA . . . . . . . . . . . . . . . -80.19 -23.84 40.7 Favored 'General case' 0 C--N 1.323 -0.546 0 CA-C-O 120.966 0.413 . . . . 0.0 110.493 178.312 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 99' ' ' LEU . . . . . . . . . . . . . 55.7 tp -82.54 -29.5 30.35 Favored 'General case' 0 C--N 1.325 -0.469 0 CA-C-N 116.024 -0.534 . . . . 0.0 110.096 176.709 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 100' ' ' ASP . . . . . . . . . . . . . 9.5 t70 -58.55 -29.05 66.06 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 115.515 -0.766 . . . . 0.0 110.904 177.344 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 4.4 m -62.94 -12.8 27.88 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-N 115.771 -0.65 . . . . 0.0 111.563 -179.223 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 102' ' ' LEU . . . . . . . . . . . . . 4.4 mm? -83.75 1.91 40.48 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.577 -0.283 . . . . 0.0 111.686 -177.682 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 103' ' ' THR . . . . . . . . . . . . . 13.6 t -79.84 -1.97 41.35 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 121.123 0.487 . . . . 0.0 110.282 177.295 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 104' ' ' VAL . . . . . . . . . . . . . 13.6 p -64.49 145.59 13.76 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.348 0 CA-C-N 115.57 -0.741 . . . . 0.0 109.762 174.689 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 105' ' ' LEU . . . . . 0.442 HD21 ' CZ ' ' A' ' 64' ' ' ARG . 83.5 mt 74.08 -40.74 0.46 Allowed 'General case' 0 N--CA 1.47 0.571 0 C-N-CA 123.278 0.631 . . . . 0.0 111.931 -179.842 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 106' ' ' GLY . . . . . . . . . . . . . . . 146.83 -130.45 3.63 Favored Glycine 0 N--CA 1.445 -0.719 0 N-CA-C 111.524 -0.63 . . . . 0.0 111.524 179.878 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 107' ' ' ALA . . . . . . . . . . . . . . . -89.86 109.71 20.69 Favored 'General case' 0 C--N 1.324 -0.539 0 CA-C-O 120.65 0.262 . . . . 0.0 110.455 177.823 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 108' ' ' GLY . . . . . . . . . . . . . . . -54.59 129.0 43.63 Favored Glycine 0 N--CA 1.45 -0.383 0 CA-C-N 115.775 -0.648 . . . . 0.0 113.167 -177.872 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 109' ' ' GLY . . . . . 0.441 ' O ' HG23 ' A' ' 72' ' ' VAL . . . -142.38 -149.13 5.11 Favored Glycine 0 N--CA 1.44 -1.071 0 N-CA-C 111.655 -0.578 . . . . 0.0 111.655 179.799 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 110' ' ' ASN . . . . . . . . . . . . . 48.3 t30 -129.28 142.93 50.7 Favored 'General case' 0 C--N 1.318 -0.775 0 N-CA-C 109.658 -0.497 . . . . 0.0 109.658 179.546 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 111' ' ' ASN . . . . . . . . . . . . . 73.0 m-20 -98.63 -3.3 36.43 Favored 'General case' 0 C--N 1.325 -0.499 0 CA-C-N 116.525 -0.307 . . . . 0.0 111.124 -179.536 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 112' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.249 1.053 0 CA-C-O 118.698 -0.668 . . . . 0.0 109.995 177.641 . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 37.6 t . . . . . 0 N--CA 1.477 0.885 0 CA-C-O 120.613 0.244 . . . . 0.0 110.495 . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' A' A ' 7' ' ' MET . . . . . . . . . . . . . 1.8 pmm? -75.17 -19.85 59.64 Favored 'General case' 0 C--N 1.328 -0.327 0 N-CA-C 109.685 -0.487 . . . . 0.0 109.685 176.947 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -72.44 -46.6 54.29 Favored 'General case' 0 C--N 1.331 -0.215 0 CA-C-N 115.777 -0.647 . . . . 0.0 110.747 178.33 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 9' ' ' GLN . . . . . . . . . . . . . 75.3 mt-30 -76.69 -12.03 59.94 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 120.976 0.417 . . . . 0.0 110.831 179.41 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -103.9 12.44 34.36 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 115.991 -0.55 . . . . 0.0 110.622 178.219 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -83.34 86.82 6.99 Favored 'General case' 0 C--N 1.325 -0.495 0 CA-C-N 115.946 -0.57 . . . . 0.0 110.26 178.99 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 4.0 pt20 -72.07 154.36 41.16 Favored 'General case' 0 C--N 1.325 -0.492 0 CA-C-N 115.653 -0.703 . . . . 0.0 110.595 -178.756 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 13' ' ' GLN . . . . . 0.471 ' OE1' ' HA ' ' A' ' 57' ' ' MET . 44.6 mt-30 -121.86 138.75 54.27 Favored 'General case' 0 C--N 1.32 -0.705 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.418 -179.133 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 14' ' ' LYS . . . . . 0.49 ' HB2' ' CE2' ' A' ' 16' ' ' PHE . 34.8 mmtp -109.8 151.27 27.19 Favored 'General case' 0 C--N 1.323 -0.576 0 CA-C-N 116.237 -0.438 . . . . 0.0 109.949 -178.386 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 15' ' ' ASN . . . . . 0.434 ' HA ' ' HA ' ' A' ' 56' ' ' SER . 7.3 t30 -83.07 101.31 11.06 Favored 'General case' 0 C--N 1.324 -0.528 0 CA-C-O 120.844 0.354 . . . . 0.0 110.111 -179.947 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 16' ' ' PHE . . . . . 0.49 ' CE2' ' HB2' ' A' ' 14' ' ' LYS . 90.6 m-85 -100.27 129.7 46.3 Favored 'General case' 0 C--N 1.323 -0.57 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.924 -178.418 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 24.3 t-20 -131.32 95.51 3.79 Favored 'General case' 0 C--N 1.324 -0.514 0 CA-C-N 115.903 -0.59 . . . . 0.0 109.728 176.349 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 18' ' ' ILE . . . . . 0.457 ' CD1' ' HB2' ' A' ' 30' ' ' PHE . 11.9 mt -123.09 119.87 58.93 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.546 0 CA-C-N 116.091 -0.504 . . . . 0.0 110.577 -175.768 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -68.72 148.99 49.57 Favored 'General case' 0 C--N 1.325 -0.497 0 N-CA-C 108.931 -0.766 . . . . 0.0 108.931 173.005 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -64.05 104.21 0.69 Allowed 'General case' 0 C--N 1.326 -0.423 0 CA-C-O 121.273 0.559 . . . . 0.0 110.695 -176.45 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 21' ' ' GLN . . . . . . . . . . . . . 77.6 mt-30 -104.31 172.61 3.99 Favored Pre-proline 0 C--N 1.32 -0.682 0 CA-C-N 115.266 -0.879 . . . . 0.0 109.738 177.682 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 22' ' ' PRO . . . . . . . . . . . . . 52.7 Cg_exo -55.88 140.22 85.15 Favored 'Trans proline' 0 N--CA 1.462 -0.357 0 C-N-CA 121.629 1.553 . . . . 0.0 109.852 165.85 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -51.21 -50.37 59.21 Favored 'General case' 0 C--N 1.328 -0.357 0 N-CA-C 112.434 0.531 . . . . 0.0 112.434 -168.846 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 2.7 mp0 -63.32 -31.37 72.5 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-O 120.721 0.296 . . . . 0.0 111.506 -178.514 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 47.4 t -78.58 -35.44 45.81 Favored 'General case' 0 C--N 1.325 -0.462 0 CA-C-N 116.368 -0.378 . . . . 0.0 110.375 177.439 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -58.1 -53.99 52.01 Favored 'General case' 0 CA--C 1.514 -0.436 0 CA-C-O 121.49 0.662 . . . . 0.0 110.727 -179.582 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 27' ' ' MET . . . . . 0.449 ' CB ' HG13 ' A' ' 38' ' ' VAL . 19.9 mmt -74.79 -19.15 60.32 Favored 'General case' 0 C--N 1.317 -0.817 0 CA-C-N 115.207 -0.906 . . . . 0.0 110.97 -176.127 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 28' ' ' LEU . . . . . 0.457 ' O ' ' HB3' ' A' ' 32' ' ' GLU . 63.4 tp -64.06 -32.48 74.05 Favored 'General case' 0 C--N 1.322 -0.617 0 N-CA-C 109.059 -0.719 . . . . 0.0 109.059 172.55 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 29' ' ' ARG . . . . . 0.437 ' HA ' ' OE2' ' A' ' 32' ' ' GLU . 19.2 mmt180 -90.14 -38.03 13.79 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 115.667 -0.697 . . . . 0.0 111.4 -179.569 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 30' ' ' PHE . . . . . 0.457 ' HB2' ' CD1' ' A' ' 18' ' ' ILE . 17.9 t80 -71.69 -56.25 6.17 Favored 'General case' 0 C--N 1.323 -0.547 0 CA-C-O 121.293 0.568 . . . . 0.0 110.964 177.467 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -76.31 -17.42 59.44 Favored 'General case' 0 C--N 1.318 -0.79 0 CA-C-N 115.668 -0.696 . . . . 0.0 112.064 -170.422 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 32' ' ' GLU . . . . . 0.457 ' HB3' ' O ' ' A' ' 28' ' ' LEU . 14.5 pt-20 -64.0 -29.73 70.87 Favored 'General case' 0 N--CA 1.463 0.194 0 C-N-CA 119.995 -0.682 . . . . 0.0 109.843 174.84 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 33' ' ' GLN . . . . . . . . . . . . . 27.4 mt-30 -77.05 -30.8 55.77 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 115.93 -0.577 . . . . 0.0 110.165 176.359 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -88.31 -19.04 27.25 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-N 115.653 -0.703 . . . . 0.0 111.547 -176.636 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 95.46 31.65 7.39 Favored Glycine 0 CA--C 1.52 0.377 0 CA-C-N 116.298 -0.41 . . . . 0.0 112.806 178.688 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 36' ' ' MET . . . . . . . . . . . . . 71.3 mtm -144.64 175.73 9.94 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.631 0.253 . . . . 0.0 111.072 -176.666 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 37' ' ' GLN . . . . . . . . . . . . . 38.7 mt-30 -150.65 161.61 42.27 Favored 'General case' 0 C--N 1.329 -0.288 0 C-N-CA 123.328 0.651 . . . . 0.0 109.476 174.138 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 38' ' ' VAL . . . . . 0.449 HG13 ' CB ' ' A' ' 27' ' ' MET . 4.2 m -77.01 136.7 23.95 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.5 0 CA-C-O 121.073 0.463 . . . . 0.0 111.348 -177.244 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 39' ' ' PHE . . . . . . . . . . . . . 89.3 t80 -116.03 98.21 6.51 Favored 'General case' 0 C--N 1.323 -0.562 0 CA-C-N 115.797 -0.638 . . . . 0.0 109.85 178.071 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 40' ' ' PHE . . . . . . . . . . . . . 93.3 m-85 -145.67 135.81 23.8 Favored 'General case' 0 C--N 1.322 -0.588 0 CA-C-N 115.925 -0.58 . . . . 0.0 110.232 -178.864 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 8.8 m-20 -125.93 -69.11 0.79 Allowed 'General case' 0 C--N 1.322 -0.605 0 CA-C-N 116.08 -0.509 . . . . 0.0 110.444 177.933 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 38.2 mt-10 -98.52 87.39 3.82 Favored 'General case' 0 C--N 1.322 -0.603 0 CA-C-N 116.08 -0.509 . . . . 0.0 109.902 179.532 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 43' ' ' VAL . . . . . . . . . . . . . 19.3 m -146.13 -162.62 0.12 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.448 0 CA-C-N 115.394 -0.821 . . . . 0.0 109.916 -177.274 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 36.9 ttmt -54.51 137.83 42.0 Favored 'General case' 0 C--O 1.236 0.343 0 CA-C-O 121.228 0.537 . . . . 0.0 110.744 174.737 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 63.9 tp -56.61 136.68 54.59 Favored 'General case' 0 C--N 1.325 -0.467 0 CA-C-N 115.132 -0.94 . . . . 0.0 111.017 -178.522 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 2.2 m-20 -55.76 149.83 13.84 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 115.564 -0.744 . . . . 0.0 110.886 176.832 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 121.42 -20.75 8.29 Favored Glycine 0 N--CA 1.444 -0.793 0 N-CA-C 110.047 -1.221 . . . . 0.0 110.047 -169.672 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 48' ' ' MET . . . . . . . . . . . . . 16.9 tpt -58.38 127.54 32.64 Favored 'General case' 0 C--O 1.234 0.243 0 CA-C-N 114.695 -0.752 . . . . 0.0 110.456 176.739 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 30.2 mm-40 -93.21 148.55 21.93 Favored 'General case' 0 C--N 1.319 -0.747 0 CA-C-O 121.282 0.563 . . . . 0.0 110.845 -179.512 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -83.73 166.73 17.81 Favored 'General case' 0 C--N 1.317 -0.815 0 CA-C-N 115.312 -0.858 . . . . 0.0 109.422 174.884 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -83.63 157.42 22.26 Favored 'General case' 0 C--N 1.317 -0.815 0 CA-C-N 116.347 -0.388 . . . . 0.0 110.465 -179.443 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -65.43 110.12 2.55 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.029 -0.532 . . . . 0.0 109.79 178.022 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 53' ' ' LEU . . . . . 0.408 ' HG ' ' HG ' ' A' ' 66' ' ' LEU . 2.8 tm? -108.5 117.28 33.77 Favored 'General case' 0 C--N 1.322 -0.599 0 CA-C-N 116.307 -0.406 . . . . 0.0 110.57 -173.895 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 54' ' ' ASN . . . . . . . . . . . . . 10.2 t30 -153.5 103.76 2.68 Favored 'General case' 0 C--N 1.324 -0.534 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.186 172.735 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . 178.52 158.28 20.82 Favored Glycine 0 N--CA 1.445 -0.753 0 C-N-CA 120.587 -0.816 . . . . 0.0 112.185 178.49 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 56' ' ' SER . . . . . 0.488 ' HA ' ' O ' ' A' ' 14' ' ' LYS . 29.0 t -91.25 108.41 19.86 Favored 'General case' 0 C--N 1.322 -0.622 0 N-CA-C 109.18 -0.674 . . . . 0.0 109.18 175.265 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 57' ' ' MET . . . . . 0.505 ' SD ' ' HA2' ' A' ' 62' ' ' GLY . 20.2 ptp -156.64 169.92 23.58 Favored 'General case' 0 C--N 1.324 -0.512 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.851 -173.977 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 4.8 m -88.01 177.51 6.92 Favored 'General case' 0 C--N 1.326 -0.452 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.059 177.612 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 59' ' ' VAL . . . . . . . . . . . . . 45.9 t -60.67 -39.98 83.3 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 N-CA-C 110.328 -0.249 . . . . 0.0 110.328 179.834 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 62.0 mm-40 -47.62 -61.41 1.95 Allowed 'General case' 0 N--CA 1.463 0.193 0 CA-C-N 115.98 -0.555 . . . . 0.0 111.575 177.1 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 61' ' ' GLN . . . . . 0.464 ' HB2' ' HB2' ' A' ' 57' ' ' MET . 68.5 mt-30 -72.23 -36.01 69.0 Favored 'General case' 0 C--N 1.325 -0.467 0 CA-C-N 115.851 -0.613 . . . . 0.0 110.971 -176.968 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 62' ' ' GLY . . . . . 0.512 ' O ' ' HB2' ' A' ' 66' ' ' LEU . . . -66.91 -54.04 23.8 Favored Glycine 0 C--O 1.222 -0.654 0 CA-C-N 115.86 -0.609 . . . . 0.0 112.958 -175.885 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 63' ' ' LEU . . . . . 0.418 HD12 ' CG ' ' A' ' 74' ' ' PHE . 1.9 tm? -59.51 -44.74 93.04 Favored 'General case' 0 C--N 1.325 -0.476 0 CA-C-O 120.969 0.414 . . . . 0.0 110.817 -175.479 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 64' ' ' ARG . . . . . . . . . . . . . 54.0 mtp180 -58.29 -47.41 83.74 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 115.884 -0.598 . . . . 0.0 110.848 178.568 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 65' ' ' ARG . . . . . 0.515 ' HA ' ' HA2' ' A' ' 69' ' ' GLY . 73.7 ttt180 -73.36 -31.99 64.26 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 116.067 -0.515 . . . . 0.0 111.344 -178.512 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 66' ' ' LEU . . . . . 0.512 ' HB2' ' O ' ' A' ' 62' ' ' GLY . 1.2 tt -70.07 -44.86 68.27 Favored 'General case' 0 C--N 1.325 -0.498 0 CA-C-N 115.652 -0.704 . . . . 0.0 111.213 -174.694 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 67' ' ' ILE . . . . . 0.699 ' HB ' ' ND2' ' A' ' 111' ' ' ASN . 58.3 mt -75.18 -65.78 0.66 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.26 0 C-N-CA 120.048 -0.661 . . . . 0.0 111.044 -176.966 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . -116.84 -49.09 0.43 Allowed Glycine 0 N--CA 1.45 -0.409 0 C-N-CA 120.913 -0.66 . . . . 0.0 113.347 -179.098 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 69' ' ' GLY . . . . . 0.515 ' HA2' ' HA ' ' A' ' 65' ' ' ARG . . . 105.17 -6.12 42.54 Favored Glycine 0 N--CA 1.45 -0.384 0 N-CA-C 111.032 -0.827 . . . . 0.0 111.032 -168.869 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 70' ' ' ASN . . . . . . . . . . . . . 12.0 m120 -101.27 161.45 23.6 Favored Pre-proline 0 C--N 1.325 -0.472 0 CA-C-N 115.564 -0.318 . . . . 0.0 110.309 179.061 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 71' ' ' PRO . . . . . . . . . . . . . 37.8 Cg_exo -63.23 125.57 16.02 Favored 'Trans proline' 0 C--N 1.344 0.314 0 C-N-CA 122.755 2.304 . . . . 0.0 112.136 176.492 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 72' ' ' VAL . . . . . . . . . . . . . 4.3 p -152.17 161.14 3.09 Favored 'Isoleucine or valine' 0 N--CA 1.447 -0.594 0 N-CA-C 109.545 -0.539 . . . . 0.0 109.545 -176.629 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 73' ' ' ALA . . . . . 0.47 ' HB2' HD13 ' A' ' 87' ' ' LEU . . . -102.83 138.85 39.16 Favored 'General case' 0 N--CA 1.439 -1.021 0 N-CA-C 109.102 -0.703 . . . . 0.0 109.102 175.956 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 74' ' ' PHE . . . . . 0.418 ' CG ' HD12 ' A' ' 63' ' ' LEU . 15.1 p90 -147.0 119.95 8.74 Favored 'General case' 0 C--N 1.309 -1.181 0 CA-C-O 121.503 0.668 . . . . 0.0 110.068 179.709 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 75' ' ' ARG . . . . . . . . . . . . . 55.8 mtm180 -91.5 112.81 24.87 Favored 'General case' 0 C--N 1.319 -0.753 0 CA-C-N 115.29 -0.868 . . . . 0.0 110.594 -175.549 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 76' ' ' LEU . . . . . . . . . . . . . 75.0 mt -91.58 99.74 12.6 Favored 'General case' 0 C--N 1.323 -0.562 0 CA-C-N 115.505 -0.77 . . . . 0.0 110.448 -177.739 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 77' ' ' GLN . . . . . . . . . . . . . 79.5 mt-30 -82.13 121.9 79.15 Favored Pre-proline 0 C--N 1.322 -0.624 0 CA-C-N 116.095 -0.502 . . . . 0.0 110.038 178.989 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 78' ' ' PRO . . . . . . . . . . . . . 31.5 Cg_exo -60.24 -12.07 18.51 Favored 'Trans proline' 0 C--N 1.347 0.475 0 C-N-CA 123.057 2.505 . . . . 0.0 112.092 178.496 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 79' ' ' GLN . . . . . . . . . . . . . 7.3 mm100 -69.22 -15.75 63.45 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.063 -0.517 . . . . 0.0 109.945 176.855 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . 109.66 31.35 3.22 Favored Glycine 0 N--CA 1.447 -0.628 0 C-N-CA 120.923 -0.656 . . . . 0.0 112.499 178.31 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 81' ' ' GLN . . . . . . . . . . . . . 26.4 mt-30 -134.64 126.44 29.15 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-O 121.038 0.447 . . . . 0.0 111.584 -176.95 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 82' ' ' ILE . . . . . . . . . . . . . 65.1 mt -100.69 116.29 43.87 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.517 0 CA-C-N 115.742 -0.663 . . . . 0.0 109.652 174.698 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 83' ' ' VAL . . . . . . . . . . . . . 41.4 t -115.91 119.76 62.82 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.535 0 CA-C-N 116.451 -0.341 . . . . 0.0 110.329 -179.389 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 84' ' ' LEU . . . . . . . . . . . . . 17.9 tp -78.63 153.61 30.93 Favored 'General case' 0 C--N 1.326 -0.455 0 N-CA-C 110.109 -0.33 . . . . 0.0 110.109 -179.231 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 85' ' ' SER . . . . . . . . . . . . . 32.7 m -154.02 172.71 17.04 Favored 'General case' 0 C--N 1.324 -0.515 0 N-CA-C 109.388 -0.597 . . . . 0.0 109.388 179.51 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 86' ' ' ARG . . . . . . . . . . . . . 38.3 ttt180 -122.84 123.32 40.74 Favored 'General case' 0 C--N 1.318 -0.798 0 N-CA-C 109.35 -0.611 . . . . 0.0 109.35 177.833 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 87' ' ' LEU . . . . . 0.47 HD13 ' HB2' ' A' ' 73' ' ' ALA . 1.7 tp -81.66 141.97 48.91 Favored Pre-proline 0 C--N 1.322 -0.599 0 CA-C-N 116.396 -0.366 . . . . 0.0 110.278 -176.709 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 88' ' ' PRO . . . . . 0.414 ' HD3' ' HA ' ' A' ' 87' ' ' LEU . 1.0 OUTLIER -85.13 140.61 7.77 Favored 'Trans proline' 0 N--CA 1.454 -0.849 0 C-N-CA 123.043 2.495 . . . . 0.0 111.579 -179.345 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 89' ' ' THR . . . . . . . . . . . . . 10.6 m -69.05 97.85 0.92 Allowed 'General case' 0 C--N 1.322 -0.598 0 CA-C-N 116.084 -0.507 . . . . 0.0 110.592 178.798 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 90' ' ' ALA . . . . . . . . . . . . . . . -62.8 127.25 30.38 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.175 178.036 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 91' ' ' ASN . . . . . 0.408 HD22 ' C ' ' A' ' 91' ' ' ASN . 0.2 OUTLIER -100.22 -41.74 6.97 Favored 'General case' 0 C--N 1.324 -0.504 0 CA-C-N 116.218 -0.447 . . . . 0.0 111.171 -171.764 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 92' ' ' GLY . . . . . . . . . . . . . . . -82.1 -61.27 2.03 Favored Glycine 0 N--CA 1.449 -0.479 0 C-N-CA 120.259 -0.972 . . . . 0.0 112.747 -175.71 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 7.5 p-10 -84.28 -30.18 25.83 Favored 'General case' 0 C--N 1.325 -0.458 0 CA-C-O 120.71 0.29 . . . . 0.0 110.711 -178.798 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 94' ' ' GLY . . . . . . . . . . . . . . . 95.01 -27.41 14.84 Favored Glycine 0 N--CA 1.452 -0.256 0 C-N-CA 120.773 -0.727 . . . . 0.0 112.715 177.97 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 95' ' ' GLY . . . . . . . . . . . . . . . 74.52 102.35 0.09 OUTLIER Glycine 0 N--CA 1.45 -0.432 0 C-N-CA 121.066 -0.587 . . . . 0.0 112.389 -179.634 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 96' ' ' ALA . . . . . 0.555 ' O ' ' HB3' ' A' ' 97' ' ' LEU . . . -72.63 76.53 1.09 Allowed 'General case' 0 C--N 1.331 -0.228 0 CA-C-O 121.136 0.493 . . . . 0.0 110.942 -178.881 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 97' ' ' LEU . . . . . 0.555 ' HB3' ' O ' ' A' ' 96' ' ' ALA . 2.4 pt? 157.02 -33.12 0.0 OUTLIER 'General case' 0 N--CA 1.468 0.442 0 C-N-CA 125.723 1.609 . . . . 0.0 107.426 178.088 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 98' ' ' ALA . . . . . . . . . . . . . . . -78.0 -35.76 49.64 Favored 'General case' 0 N--CA 1.444 -0.732 0 CA-C-N 114.637 -1.165 . . . . 0.0 109.294 175.752 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 99' ' ' LEU . . . . . 0.404 HD12 ' N ' ' A' ' 100' ' ' ASP . 4.6 pp -65.89 -24.6 66.89 Favored 'General case' 0 C--N 1.325 -0.481 0 CA-C-N 115.827 -0.624 . . . . 0.0 111.996 -179.445 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 100' ' ' ASP . . . . . 0.404 ' N ' HD12 ' A' ' 99' ' ' LEU . 1.2 p-10 -99.6 -13.04 19.58 Favored 'General case' 0 C--O 1.231 0.103 0 C-N-CA 119.991 -0.684 . . . . 0.0 110.947 -179.146 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 38.8 m -100.86 -50.85 3.71 Favored 'General case' 0 C--N 1.323 -0.544 0 CA-C-N 116.422 -0.353 . . . . 0.0 111.335 178.875 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 102' ' ' LEU . . . . . . . . . . . . . 74.6 mt -77.92 9.58 3.48 Favored 'General case' 0 C--N 1.325 -0.46 0 CA-C-N 116.516 -0.311 . . . . 0.0 111.727 -173.67 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 103' ' ' THR . . . . . . . . . . . . . 3.3 m -57.21 -36.19 70.56 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 121.211 0.529 . . . . 0.0 110.738 -179.952 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 104' ' ' VAL . . . . . . . . . . . . . 15.7 m -120.67 115.2 46.29 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 CA-C-N 115.821 -0.627 . . . . 0.0 110.682 176.63 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 105' ' ' LEU . . . . . . . . . . . . . 92.6 mt -128.24 179.02 5.84 Favored 'General case' 0 C--N 1.323 -0.561 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.673 -179.048 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 106' ' ' GLY . . . . . . . . . . . . . . . -149.86 176.17 28.66 Favored Glycine 0 N--CA 1.443 -0.835 0 N-CA-C 111.303 -0.719 . . . . 0.0 111.303 179.261 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 107' ' ' ALA . . . . . . . . . . . . . . . -84.56 127.73 34.21 Favored 'General case' 0 C--N 1.321 -0.671 0 CA-C-O 120.835 0.35 . . . . 0.0 110.966 -179.227 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 108' ' ' GLY . . . . . . . . . . . . . . . 85.85 -120.53 5.41 Favored Glycine 0 N--CA 1.446 -0.638 0 C-N-CA 120.889 -0.672 . . . . 0.0 112.63 177.367 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 109' ' ' GLY . . . . . . . . . . . . . . . -82.87 138.45 18.09 Favored Glycine 0 N--CA 1.449 -0.495 0 C-N-CA 120.881 -0.676 . . . . 0.0 112.989 -175.635 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 110' ' ' ASN . . . . . . . . . . . . . 12.1 m120 -97.09 -73.95 0.59 Allowed 'General case' 0 C--N 1.326 -0.45 0 CA-C-O 120.848 0.356 . . . . 0.0 110.273 176.081 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 111' ' ' ASN . . . . . 0.699 ' ND2' ' HB ' ' A' ' 67' ' ' ILE . 0.9 OUTLIER -91.81 -31.59 15.67 Favored 'General case' 0 C--N 1.324 -0.532 0 CA-C-N 116.343 -0.39 . . . . 0.0 110.347 179.038 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 112' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.246 0.87 0 CA-C-O 118.618 -0.706 . . . . 0.0 110.69 -178.276 . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 47.8 t . . . . . 0 N--CA 1.48 1.061 0 CA-C-O 120.346 0.117 . . . . 0.0 111.287 . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' A' A ' 7' ' ' MET . . . . . . . . . . . . . 4.4 mpp? -56.25 -32.75 64.78 Favored 'General case' 0 N--CA 1.463 0.188 0 N-CA-C 112.156 0.428 . . . . 0.0 112.156 -173.351 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -73.24 -50.43 22.41 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-O 120.752 0.31 . . . . 0.0 111.509 -178.913 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 9' ' ' GLN . . . . . . . . . . . . . 75.7 mt-30 -76.2 -22.14 55.64 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.745 0.307 . . . . 0.0 111.734 -176.704 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -91.46 8.07 38.13 Favored 'General case' 0 C--N 1.324 -0.534 0 CA-C-N 116.66 -0.246 . . . . 0.0 110.674 178.625 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . 69.11 -79.23 0.04 OUTLIER 'General case' 0 N--CA 1.463 0.222 0 O-C-N 123.922 0.764 . . . . 0.0 111.551 179.883 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 26.2 pt20 -141.82 156.26 45.55 Favored 'General case' 0 C--N 1.323 -0.548 0 CA-C-O 121.036 0.446 . . . . 0.0 111.08 -179.08 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 27.5 mt-30 -109.46 135.26 50.77 Favored 'General case' 0 C--N 1.324 -0.542 0 CA-C-N 115.791 -0.641 . . . . 0.0 110.361 177.316 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 14' ' ' LYS . . . . . 0.437 ' HB2' ' CE2' ' A' ' 16' ' ' PHE . 35.4 mmtp -108.96 154.03 22.74 Favored 'General case' 0 C--N 1.32 -0.688 0 N-CA-C 109.551 -0.537 . . . . 0.0 109.551 178.598 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 15' ' ' ASN . . . . . . . . . . . . . 27.1 t-20 -86.56 113.76 22.73 Favored 'General case' 0 C--N 1.321 -0.657 0 CA-C-N 116.403 -0.362 . . . . 0.0 110.33 -179.163 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 16' ' ' PHE . . . . . 0.437 ' CE2' ' HB2' ' A' ' 14' ' ' LYS . 94.7 m-85 -113.23 152.49 29.71 Favored 'General case' 0 C--N 1.323 -0.544 0 CA-C-N 116.094 -0.503 . . . . 0.0 111.276 -177.468 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 43.7 t30 -149.96 90.58 1.7 Allowed 'General case' 0 C--N 1.324 -0.523 0 CA-C-N 115.38 -0.827 . . . . 0.0 109.073 176.646 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 18' ' ' ILE . . . . . 0.456 ' HB ' ' HB3' ' A' ' 53' ' ' LEU . 20.0 mm -112.49 123.36 68.12 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.513 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.449 -175.368 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -77.99 156.5 30.13 Favored 'General case' 0 C--N 1.323 -0.545 0 N-CA-C 108.688 -0.856 . . . . 0.0 108.688 172.175 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -69.77 102.09 1.84 Allowed 'General case' 0 C--N 1.328 -0.338 0 C-N-CA 120.003 -0.679 . . . . 0.0 110.332 -176.231 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 21' ' ' GLN . . . . . . . . . . . . . 76.7 mt-30 -104.93 165.17 13.71 Favored Pre-proline 0 C--N 1.322 -0.63 0 CA-C-N 114.936 -1.029 . . . . 0.0 109.641 176.565 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 22' ' ' PRO . . . . . . . . . . . . . 9.6 Cg_endo -55.59 137.73 78.79 Favored 'Trans proline' 0 N--CA 1.46 -0.465 0 C-N-CA 121.918 1.745 . . . . 0.0 109.597 165.952 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 23' ' ' LEU . . . . . 0.428 HD12 ' HB3' ' A' ' 48' ' ' MET . 0.6 OUTLIER -49.76 -42.22 45.92 Favored 'General case' 0 C--N 1.327 -0.391 0 N-CA-C 112.591 0.589 . . . . 0.0 112.591 -167.508 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 24.5 mp0 -57.25 -53.1 61.9 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-O 121.017 0.436 . . . . 0.0 110.63 -179.245 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 25' ' ' SER . . . . . 0.426 ' O ' ' HG2' ' A' ' 29' ' ' ARG . 43.2 t -71.09 -32.33 68.93 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-N 115.867 -0.606 . . . . 0.0 110.859 -178.526 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -56.21 -59.23 5.24 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 121.24 0.543 . . . . 0.0 111.388 -177.386 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 27' ' ' MET . . . . . 0.626 ' HB2' ' CG1' ' A' ' 38' ' ' VAL . 9.8 mmt -82.46 -13.49 56.64 Favored 'General case' 0 CA--C 1.506 -0.734 0 CA-C-N 115.904 -0.589 . . . . 0.0 110.283 -176.604 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 28' ' ' LEU . . . . . 0.67 ' O ' ' HG3' ' A' ' 32' ' ' GLU . 65.4 tp -60.1 -53.42 58.0 Favored 'General case' 0 C--N 1.321 -0.672 0 N-CA-C 108.257 -1.016 . . . . 0.0 108.257 167.729 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 29' ' ' ARG . . . . . 0.426 ' HG2' ' O ' ' A' ' 25' ' ' SER . 28.5 mmt180 -63.94 -42.73 97.26 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 115.811 -0.631 . . . . 0.0 111.588 -178.46 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 30' ' ' PHE . . . . . 0.566 ' CE2' HD21 ' A' ' 63' ' ' LEU . 8.1 t80 -63.83 -54.38 35.99 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 121.035 0.445 . . . . 0.0 110.746 176.82 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 31' ' ' ALA . . . . . 0.506 ' HB1' ' HB2' ' A' ' 36' ' ' MET . . . -69.9 -19.37 63.41 Favored 'General case' 0 N--CA 1.448 -0.57 0 CA-C-N 116.039 -0.528 . . . . 0.0 111.184 -174.584 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 32' ' ' GLU . . . . . 0.67 ' HG3' ' O ' ' A' ' 28' ' ' LEU . 27.8 mt-10 -57.09 -34.38 68.26 Favored 'General case' 0 N--CA 1.468 0.442 0 C-N-CA 120.624 -0.43 . . . . 0.0 110.577 174.052 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 33' ' ' GLN . . . . . . . . . . . . . 15.6 mm100 -90.13 -14.01 34.51 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.935 -179.699 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -96.89 -16.12 20.87 Favored 'General case' 0 C--N 1.324 -0.518 0 CA-C-N 116.255 -0.43 . . . . 0.0 111.335 -179.165 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 94.0 22.53 25.18 Favored Glycine 0 N--CA 1.451 -0.309 0 C-N-CA 121.113 -0.565 . . . . 0.0 112.364 179.557 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 36' ' ' MET . . . . . 0.506 ' HB2' ' HB1' ' A' ' 31' ' ' ALA . 1.1 mtp -130.11 175.46 8.88 Favored 'General case' 0 C--N 1.325 -0.5 0 CA-C-O 120.616 0.246 . . . . 0.0 110.606 -175.825 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 37' ' ' GLN . . . . . 0.452 ' O ' ' HA ' ' A' ' 81' ' ' GLN . 29.4 tt0 -147.92 155.57 41.73 Favored 'General case' 0 C--N 1.326 -0.433 0 N-CA-C 109.591 -0.522 . . . . 0.0 109.591 176.553 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 38' ' ' VAL . . . . . 0.626 ' CG1' ' HB2' ' A' ' 27' ' ' MET . 22.9 m -78.09 144.09 11.81 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.443 0 CA-C-O 120.937 0.398 . . . . 0.0 110.745 178.281 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 39' ' ' PHE . . . . . 0.521 ' O ' HG12 ' A' ' 83' ' ' VAL . 68.7 t80 -127.12 120.59 29.23 Favored 'General case' 0 C--N 1.319 -0.742 0 CA-C-N 116.097 -0.501 . . . . 0.0 109.962 177.269 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 40' ' ' PHE . . . . . . . . . . . . . 64.7 m-85 -124.94 129.08 49.65 Favored 'General case' 0 C--N 1.316 -0.849 0 N-CA-C 109.165 -0.68 . . . . 0.0 109.165 173.637 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 7.5 p-10 -83.79 -171.64 3.71 Favored 'General case' 0 C--N 1.321 -0.661 0 N-CA-C 108.961 -0.755 . . . . 0.0 108.961 175.806 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 42.7 mt-10 -73.3 87.3 1.49 Allowed 'General case' 0 C--N 1.321 -0.643 0 CA-C-O 121.303 0.573 . . . . 0.0 110.71 -177.059 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 43' ' ' VAL . . . . . . . . . . . . . 15.4 m -123.73 152.78 29.23 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.444 0 CA-C-N 115.393 -0.821 . . . . 0.0 110.904 -177.749 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 39.2 ttpt -104.55 91.63 3.96 Favored 'General case' 0 C--N 1.321 -0.646 0 CA-C-N 116.049 -0.523 . . . . 0.0 110.403 179.831 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 45' ' ' LEU . . . . . 0.532 ' O ' HD12 ' A' ' 45' ' ' LEU . 1.1 pp -156.61 125.48 5.93 Favored 'General case' 0 C--N 1.324 -0.513 0 CA-C-O 121.286 0.565 . . . . 0.0 110.633 177.568 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 4.6 p-10 -131.21 162.98 28.75 Favored 'General case' 0 C--N 1.322 -0.592 0 CA-C-N 115.89 -0.596 . . . . 0.0 110.027 -179.809 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 86.36 13.98 67.1 Favored Glycine 0 N--CA 1.449 -0.438 0 C-N-CA 120.497 -0.859 . . . . 0.0 111.526 -179.695 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 48' ' ' MET . . . . . 0.428 ' HB3' HD12 ' A' ' 23' ' ' LEU . 25.4 mmt -88.48 118.71 28.31 Favored 'General case' 0 N--CA 1.448 -0.562 0 N-CA-C 109.198 -0.668 . . . . 0.0 109.198 177.661 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 18.5 pt20 -138.78 166.33 24.7 Favored 'General case' 0 C--N 1.318 -0.773 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.479 -176.786 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -89.52 163.29 15.28 Favored 'General case' 0 C--N 1.32 -0.679 0 CA-C-N 115.751 -0.658 . . . . 0.0 110.357 179.801 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -95.95 174.03 7.14 Favored 'General case' 0 C--N 1.322 -0.596 0 CA-C-N 116.02 -0.536 . . . . 0.0 110.054 176.117 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -70.45 109.02 4.55 Favored 'General case' 0 C--N 1.325 -0.476 0 CA-C-O 121.017 0.437 . . . . 0.0 110.696 -179.263 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 53' ' ' LEU . . . . . 0.456 ' HB3' ' HB ' ' A' ' 18' ' ' ILE . 2.3 tm? -108.04 118.15 35.99 Favored 'General case' 0 C--N 1.322 -0.617 0 CA-C-N 115.873 -0.603 . . . . 0.0 109.604 -177.868 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 54' ' ' ASN . . . . . . . . . . . . . 56.3 t30 -152.78 98.53 2.35 Favored 'General case' 0 C--N 1.322 -0.6 0 CA-C-O 120.83 0.348 . . . . 0.0 110.261 176.461 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . 177.56 173.71 43.29 Favored Glycine 0 N--CA 1.449 -0.458 0 C-N-CA 120.829 -0.7 . . . . 0.0 112.427 178.73 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 20.9 m -99.19 106.4 18.57 Favored 'General case' 0 C--N 1.323 -0.577 0 N-CA-C 109.356 -0.609 . . . . 0.0 109.356 174.455 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 57' ' ' MET . . . . . 0.43 ' HB2' ' HB2' ' A' ' 61' ' ' GLN . 23.0 ptp -150.72 174.89 12.51 Favored 'General case' 0 C--N 1.323 -0.546 0 CA-C-N 116.351 -0.386 . . . . 0.0 110.633 -173.953 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 14.8 m -100.89 177.96 4.82 Favored 'General case' 0 C--N 1.323 -0.568 0 CA-C-N 116.363 -0.381 . . . . 0.0 110.764 -177.703 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 59' ' ' VAL . . . . . . . . . . . . . 11.3 p -52.76 -45.46 49.57 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.267 0 O-C-N 123.279 0.362 . . . . 0.0 111.951 -175.777 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 60' ' ' GLU . . . . . 0.686 ' O ' ' HG3' ' A' ' 64' ' ' ARG . 19.8 mt-10 -56.09 -65.31 0.62 Allowed 'General case' 0 C--N 1.325 -0.465 0 CA-C-N 116.507 -0.315 . . . . 0.0 111.145 179.393 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 61' ' ' GLN . . . . . 0.43 ' HB2' ' HB2' ' A' ' 57' ' ' MET . 25.3 mp0 -55.87 -36.96 68.16 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.967 -176.46 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . -60.16 -62.27 6.23 Favored Glycine 0 N--CA 1.446 -0.695 0 CA-C-N 115.835 -0.62 . . . . 0.0 112.22 177.967 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 63' ' ' LEU . . . . . 0.566 HD21 ' CE2' ' A' ' 30' ' ' PHE . 4.3 mm? -65.37 -22.21 66.78 Favored 'General case' 0 C--O 1.236 0.371 0 N-CA-C 111.637 0.236 . . . . 0.0 111.637 -176.168 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 64' ' ' ARG . . . . . 0.686 ' HG3' ' O ' ' A' ' 60' ' ' GLU . 99.2 mtt180 -63.17 -51.24 67.19 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.95 0.405 . . . . 0.0 110.487 176.373 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 65' ' ' ARG . . . . . . . . . . . . . 19.3 ttm180 -81.0 -28.75 35.36 Favored 'General case' 0 C--N 1.323 -0.56 0 CA-C-N 115.842 -0.617 . . . . 0.0 110.306 -178.371 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 66' ' ' LEU . . . . . 0.491 ' HB2' ' HA ' ' A' ' 63' ' ' LEU . 10.7 mt -70.68 -50.06 40.58 Favored 'General case' 0 C--N 1.323 -0.566 0 CA-C-N 115.263 -0.881 . . . . 0.0 112.819 -176.655 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 67' ' ' ILE . . . . . 0.49 HD12 HD21 ' A' ' 111' ' ' ASN . 58.1 mt -88.73 -64.11 1.2 Allowed 'Isoleucine or valine' 0 C--N 1.331 -0.232 0 N-CA-C 113.097 0.777 . . . . 0.0 113.097 -170.168 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . -114.2 -62.69 0.41 Allowed Glycine 0 N--CA 1.448 -0.519 0 C-N-CA 119.089 -1.529 . . . . 0.0 114.614 -170.886 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . 87.58 -21.96 19.39 Favored Glycine 0 CA--C 1.52 0.371 0 N-CA-C 110.401 -1.079 . . . . 0.0 110.401 -167.353 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 70' ' ' ASN . . . . . . . . . . . . . 26.9 p-10 -101.57 168.96 8.32 Favored Pre-proline 0 C--N 1.327 -0.39 0 C-N-CA 123.32 0.648 . . . . 0.0 109.47 176.781 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 71' ' ' PRO . . . . . . . . . . . . . 27.6 Cg_exo -63.35 97.87 0.21 Allowed 'Trans proline' 0 C--N 1.351 0.683 0 C-N-CA 122.341 2.027 . . . . 0.0 112.876 -179.343 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 72' ' ' VAL . . . . . . . . . . . . . 43.6 t -143.8 159.87 16.3 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.577 0 N-CA-C 107.515 -1.291 . . . . 0.0 107.515 176.875 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 73' ' ' ALA . . . . . 0.422 ' HA ' ' O ' ' A' ' 109' ' ' GLY . . . -117.19 132.23 56.69 Favored 'General case' 0 C--N 1.319 -0.719 0 C-N-CA 120.646 -0.421 . . . . 0.0 111.01 178.809 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 74' ' ' PHE . . . . . . . . . . . . . 23.0 p90 -106.18 126.85 52.72 Favored 'General case' 0 C--N 1.32 -0.715 0 CA-C-O 121.446 0.641 . . . . 0.0 110.238 175.481 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 75' ' ' ARG . . . . . . . . . . . . . 20.4 tpp180 -90.17 111.03 22.04 Favored 'General case' 0 C--N 1.319 -0.721 0 CA-C-N 115.183 -0.917 . . . . 0.0 110.347 -177.837 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 76' ' ' LEU . . . . . . . . . . . . . 87.9 mt -92.66 98.92 11.73 Favored 'General case' 0 C--N 1.319 -0.72 0 N-CA-C 109.461 -0.57 . . . . 0.0 109.461 175.872 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 77' ' ' GLN . . . . . 0.428 ' HA ' ' HD3' ' A' ' 78' ' ' PRO . 79.6 mt-30 -85.39 127.92 61.57 Favored Pre-proline 0 C--N 1.321 -0.672 0 CA-C-N 116.072 -0.513 . . . . 0.0 110.449 -178.954 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 78' ' ' PRO . . . . . 0.428 ' HD3' ' HA ' ' A' ' 77' ' ' GLN . 32.4 Cg_exo -58.76 -15.94 28.77 Favored 'Trans proline' 0 C--N 1.348 0.534 0 C-N-CA 123.249 2.633 . . . . 0.0 112.634 178.344 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 79' ' ' GLN . . . . . . . . . . . . . 93.3 mt-30 -78.47 -4.34 47.99 Favored 'General case' 0 C--O 1.234 0.288 0 CA-C-O 121.06 0.457 . . . . 0.0 110.701 177.073 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . 91.26 44.32 4.4 Favored Glycine 0 N--CA 1.444 -0.788 0 C-N-CA 120.967 -0.635 . . . . 0.0 112.737 177.887 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 81' ' ' GLN . . . . . 0.452 ' HA ' ' O ' ' A' ' 37' ' ' GLN . 76.4 mt-30 -132.63 140.7 48.32 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-O 120.698 0.285 . . . . 0.0 110.918 178.332 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 82' ' ' ILE . . . . . . . . . . . . . 43.6 mt -118.62 115.28 47.61 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.394 0 CA-C-N 115.886 -0.597 . . . . 0.0 109.864 175.688 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 83' ' ' VAL . . . . . 0.521 HG12 ' O ' ' A' ' 39' ' ' PHE . 26.9 m -130.92 165.59 30.9 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.387 0 N-CA-C 109.639 -0.504 . . . . 0.0 109.639 177.734 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 84' ' ' LEU . . . . . . . . . . . . . 11.1 mp -104.61 137.97 41.64 Favored 'General case' 0 C--N 1.324 -0.527 0 CA-C-O 121.108 0.48 . . . . 0.0 111.404 -178.273 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 85' ' ' SER . . . . . . . . . . . . . 31.9 m -126.12 152.01 46.49 Favored 'General case' 0 C--N 1.32 -0.699 0 CA-C-N 115.648 -0.705 . . . . 0.0 109.863 179.121 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 86' ' ' ARG . . . . . . . . . . . . . 13.3 ptm180 -101.44 83.35 2.44 Favored 'General case' 0 C--N 1.325 -0.49 0 CA-C-O 121.425 0.631 . . . . 0.0 111.466 -179.007 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 87' ' ' LEU . . . . . . . . . . . . . 4.4 mm? -91.13 152.53 44.18 Favored Pre-proline 0 C--N 1.323 -0.586 0 N-CA-C 109.736 -0.468 . . . . 0.0 109.736 175.71 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 88' ' ' PRO . . . . . . . . . . . . . 16.6 Cg_exo -69.3 -146.31 0.02 OUTLIER 'Trans proline' 0 CA--C 1.533 0.453 0 C-N-CA 122.927 2.418 . . . . 0.0 112.191 177.357 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 89' ' ' THR . . . . . . . . . . . . . 90.6 m -57.42 111.17 1.02 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.956 0.407 . . . . 0.0 110.215 173.891 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 90' ' ' ALA . . . . . . . . . . . . . . . -94.8 -179.21 4.78 Favored 'General case' 0 C--N 1.323 -0.559 0 CA-C-N 115.952 -0.567 . . . . 0.0 111.043 -176.317 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 91' ' ' ASN . . . . . . . . . . . . . 8.1 t30 -60.58 -33.36 72.6 Favored 'General case' 0 C--N 1.325 -0.49 0 CA-C-O 121.041 0.448 . . . . 0.0 110.733 -178.962 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 92' ' ' GLY . . . . . . . . . . . . . . . -95.76 19.77 52.85 Favored Glycine 0 N--CA 1.448 -0.547 0 C-N-CA 120.817 -0.706 . . . . 0.0 113.029 -177.31 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -92.28 18.41 8.33 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-O 121.027 0.441 . . . . 0.0 110.328 176.526 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 94' ' ' GLY . . . . . . . . . . . . . . . 95.41 -24.52 28.78 Favored Glycine 0 N--CA 1.449 -0.452 0 C-N-CA 120.936 -0.649 . . . . 0.0 112.296 -179.207 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 95' ' ' GLY . . . . . . . . . . . . . . . -117.4 138.09 13.86 Favored Glycine 0 N--CA 1.447 -0.615 0 C-N-CA 120.903 -0.665 . . . . 0.0 112.109 179.982 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 96' ' ' ALA . . . . . . . . . . . . . . . -77.45 79.54 3.95 Favored 'General case' 0 C--N 1.325 -0.488 0 CA-C-O 121.09 0.471 . . . . 0.0 110.886 179.129 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 97' ' ' LEU . . . . . . . . . . . . . 65.3 mt -108.43 30.56 6.33 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-O 121.136 0.493 . . . . 0.0 110.529 177.437 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 98' ' ' ALA . . . . . . . . . . . . . . . -63.08 -44.77 94.83 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 115.466 -0.788 . . . . 0.0 111.121 -178.559 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 99' ' ' LEU . . . . . 0.514 ' O ' ' HB ' ' A' ' 103' ' ' THR . 66.7 mt -96.49 1.81 51.86 Favored 'General case' 0 C--N 1.321 -0.662 0 CA-C-O 121.097 0.475 . . . . 0.0 110.699 -179.812 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 100' ' ' ASP . . . . . . . . . . . . . 10.0 t70 -98.24 -70.17 0.73 Allowed 'General case' 0 C--N 1.323 -0.55 0 CA-C-N 115.939 -0.573 . . . . 0.0 110.747 -179.765 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 21.0 m -92.32 -27.31 17.65 Favored 'General case' 0 C--N 1.325 -0.495 0 CA-C-O 120.998 0.428 . . . . 0.0 110.803 -176.755 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 102' ' ' LEU . . . . . . . . . . . . . 86.5 mt -96.45 9.82 40.14 Favored 'General case' 0 C--N 1.324 -0.522 0 CA-C-N 116.048 -0.524 . . . . 0.0 111.09 -179.404 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 103' ' ' THR . . . . . 0.514 ' HB ' ' O ' ' A' ' 99' ' ' LEU . 12.0 t -63.47 -17.9 63.21 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-O 120.851 0.357 . . . . 0.0 111.259 -179.806 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 104' ' ' VAL . . . . . . . . . . . . . 29.4 m -71.13 155.97 7.3 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.437 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.042 176.323 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 105' ' ' LEU . . . . . . . . . . . . . 3.9 mm? -77.16 55.97 1.23 Allowed 'General case' 0 C--N 1.325 -0.468 0 CA-C-O 121.437 0.636 . . . . 0.0 110.668 -179.622 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 106' ' ' GLY . . . . . . . . . . . . . . . -153.01 22.65 0.79 Allowed Glycine 0 N--CA 1.444 -0.808 0 N-CA-C 110.632 -0.987 . . . . 0.0 110.632 177.987 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 107' ' ' ALA . . . . . . . . . . . . . . . -76.11 127.23 32.51 Favored 'General case' 0 C--N 1.324 -0.504 0 CA-C-O 120.829 0.347 . . . . 0.0 110.82 -177.518 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 108' ' ' GLY . . . . . . . . . . . . . . . -129.77 174.99 19.27 Favored Glycine 0 N--CA 1.446 -0.685 0 C-N-CA 120.866 -0.683 . . . . 0.0 111.397 178.806 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 109' ' ' GLY . . . . . 0.422 ' O ' ' HA ' ' A' ' 73' ' ' ALA . . . -75.46 144.76 32.14 Favored Glycine 0 N--CA 1.446 -0.683 0 C-N-CA 120.434 -0.888 . . . . 0.0 111.346 178.094 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 110' ' ' ASN . . . . . 0.636 ' O ' ' HG2' ' A' ' 64' ' ' ARG . 5.4 p-10 -90.36 140.08 30.05 Favored 'General case' 0 C--N 1.32 -0.7 0 N-CA-C 109.923 -0.399 . . . . 0.0 109.923 179.847 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 111' ' ' ASN . . . . . 0.548 ' HA ' ' HA ' ' A' ' 64' ' ' ARG . 20.3 m120 -85.83 49.06 1.7 Allowed 'General case' 0 C--N 1.327 -0.405 0 CA-C-O 120.67 0.271 . . . . 0.0 111.474 -177.782 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 112' ' ' ALA . . . . . 0.448 ' HB3' HD22 ' A' ' 110' ' ' ASN . . . . . . . . 0 C--O 1.248 0.984 0 CA-C-O 118.257 -0.878 . . . . 0.0 110.624 179.837 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 20.3 t . . . . . 0 N--CA 1.477 0.922 0 N-CA-C 109.862 -0.422 . . . . 0.0 109.862 . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' A' A ' 7' ' ' MET . . . . . . . . . . . . . 39.3 ttm -127.48 70.09 1.31 Allowed 'General case' 0 C--N 1.326 -0.429 0 CA-C-O 121.272 0.558 . . . . 0.0 109.745 -177.689 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -87.9 -24.14 23.72 Favored 'General case' 0 C--N 1.325 -0.487 0 CA-C-N 115.919 -0.582 . . . . 0.0 111.418 -175.022 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 9' ' ' GLN . . . . . . . . . . . . . 14.1 mm100 -81.13 11.99 3.77 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.334 -0.393 . . . . 0.0 111.442 -176.621 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -98.73 19.93 13.92 Favored 'General case' 0 C--N 1.325 -0.467 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.943 179.259 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . 58.51 51.5 7.98 Favored 'General case' 0 N--CA 1.462 0.126 0 CA-C-N 115.62 -0.718 . . . . 0.0 111.053 179.965 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 22.8 tp60 -66.58 108.06 2.31 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 115.848 -0.614 . . . . 0.0 110.614 -179.977 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 70.7 mt-30 -121.88 135.32 54.88 Favored 'General case' 0 C--N 1.324 -0.527 0 CA-C-N 116.378 -0.374 . . . . 0.0 110.283 177.489 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 14' ' ' LYS . . . . . 0.424 ' O ' ' HA ' ' A' ' 56' ' ' SER . 70.9 mmtt -132.24 158.17 42.46 Favored 'General case' 0 C--N 1.321 -0.649 0 CA-C-N 116.083 -0.508 . . . . 0.0 110.555 -179.639 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 15' ' ' ASN . . . . . . . . . . . . . 22.4 t-20 -83.87 113.63 21.08 Favored 'General case' 0 C--N 1.324 -0.542 0 CA-C-N 115.76 -0.655 . . . . 0.0 109.816 176.497 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 16' ' ' PHE . . . . . 0.478 ' CE1' ' HE1' ' A' ' 30' ' ' PHE . 18.7 m-85 -99.57 135.11 41.48 Favored 'General case' 0 C--N 1.322 -0.614 0 CA-C-N 116.278 -0.419 . . . . 0.0 110.599 -177.163 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 16.4 m120 -127.48 88.63 2.82 Favored 'General case' 0 C--N 1.325 -0.489 0 N-CA-C 108.726 -0.842 . . . . 0.0 108.726 176.387 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 18' ' ' ILE . . . . . 0.508 HG21 HD11 ' A' ' 66' ' ' LEU . 15.5 mm -120.24 107.46 20.93 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.544 0 C-N-CA 120.933 -0.307 . . . . 0.0 111.069 -177.375 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -75.14 161.41 29.42 Favored 'General case' 0 C--N 1.326 -0.451 0 N-CA-C 108.557 -0.905 . . . . 0.0 108.557 168.837 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -69.55 102.2 1.78 Allowed 'General case' 0 C--N 1.328 -0.364 0 CA-C-O 121.478 0.656 . . . . 0.0 110.683 -175.878 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 21' ' ' GLN . . . . . . . . . . . . . 68.9 mt-30 -106.53 174.49 2.54 Favored Pre-proline 0 C--N 1.321 -0.667 0 CA-C-N 114.907 -1.042 . . . . 0.0 110.125 177.545 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 22' ' ' PRO . . . . . . . . . . . . . 21.9 Cg_exo -66.69 144.78 73.31 Favored 'Trans proline' 0 N--CA 1.462 -0.358 0 C-N-CA 121.967 1.778 . . . . 0.0 109.894 164.692 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -52.44 -45.69 66.09 Favored 'General case' 0 C--N 1.327 -0.386 0 N-CA-C 112.733 0.642 . . . . 0.0 112.733 -167.994 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 24' ' ' GLN . . . . . 0.742 ' O ' ' HG ' ' A' ' 28' ' ' LEU . 43.9 mt-30 -55.69 -63.93 1.01 Allowed 'General case' 0 C--N 1.332 -0.172 0 C-N-CA 120.506 -0.478 . . . . 0.0 110.32 177.52 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 70.4 m -56.37 -32.16 64.5 Favored 'General case' 0 C--O 1.232 0.179 0 CA-C-N 116.28 -0.418 . . . . 0.0 111.829 -178.804 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -55.85 -54.19 47.56 Favored 'General case' 0 CA--C 1.517 -0.31 0 CA-C-O 121.475 0.655 . . . . 0.0 110.498 178.511 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 27' ' ' MET . . . . . 0.562 ' CB ' ' HB ' ' A' ' 38' ' ' VAL . 21.5 mmt -79.07 -23.03 44.47 Favored 'General case' 0 C--N 1.319 -0.738 0 CA-C-N 115.314 -0.857 . . . . 0.0 110.686 -177.67 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 28' ' ' LEU . . . . . 0.742 ' HG ' ' O ' ' A' ' 24' ' ' GLN . 79.5 mt -64.83 -32.28 73.9 Favored 'General case' 0 C--N 1.324 -0.53 0 C-N-CA 120.302 -0.559 . . . . 0.0 109.555 175.025 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 19.3 mmm180 -84.72 -41.49 16.17 Favored 'General case' 0 C--N 1.332 -0.176 0 CA-C-N 116.075 -0.511 . . . . 0.0 111.37 178.266 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 30' ' ' PHE . . . . . 0.478 ' HE1' ' CE1' ' A' ' 16' ' ' PHE . 22.0 t80 -71.52 -56.41 5.95 Favored 'General case' 0 C--N 1.322 -0.591 0 CA-C-O 121.086 0.47 . . . . 0.0 111.196 179.925 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 31' ' ' ALA . . . . . 0.405 ' HB1' ' HB2' ' A' ' 36' ' ' MET . . . -68.9 -26.99 65.39 Favored 'General case' 0 N--CA 1.446 -0.652 0 CA-C-N 116.036 -0.529 . . . . 0.0 111.631 -172.208 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 9.4 pt-20 -63.12 -29.82 71.1 Favored 'General case' 0 N--CA 1.465 0.324 0 C-N-CA 120.086 -0.645 . . . . 0.0 110.15 178.412 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 33' ' ' GLN . . . . . . . . . . . . . 15.3 mm100 -78.97 -17.32 55.64 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 115.848 -0.615 . . . . 0.0 110.198 178.135 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -104.66 4.81 33.04 Favored 'General case' 0 C--N 1.325 -0.474 0 CA-C-N 115.69 -0.686 . . . . 0.0 111.285 -179.991 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 74.52 32.61 57.44 Favored Glycine 0 C--N 1.332 0.327 0 C-N-CA 121.304 -0.474 . . . . 0.0 112.754 178.961 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 36' ' ' MET . . . . . 0.405 ' HB2' ' HB1' ' A' ' 31' ' ' ALA . 70.9 mtp -140.57 176.05 9.1 Favored 'General case' 0 C--N 1.324 -0.526 0 CA-C-O 120.583 0.23 . . . . 0.0 110.504 -176.879 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 37' ' ' GLN . . . . . 0.509 ' O ' ' HA ' ' A' ' 81' ' ' GLN . 23.7 tt0 -146.35 149.87 34.62 Favored 'General case' 0 C--N 1.324 -0.506 0 N-CA-C 108.976 -0.75 . . . . 0.0 108.976 173.124 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 38' ' ' VAL . . . . . 0.562 ' HB ' ' CB ' ' A' ' 27' ' ' MET . 12.4 p -78.62 144.63 10.85 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 CA-C-O 120.777 0.322 . . . . 0.0 110.616 -179.103 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 39' ' ' PHE . . . . . . . . . . . . . 66.3 t80 -114.17 127.25 55.82 Favored 'General case' 0 C--N 1.324 -0.536 0 CA-C-N 116.031 -0.531 . . . . 0.0 110.43 -177.144 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 40' ' ' PHE . . . . . . . . . . . . . 38.2 m-85 -118.84 112.31 19.52 Favored 'General case' 0 C--N 1.324 -0.534 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.922 178.092 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 5.8 p-10 -94.36 -147.6 0.26 Allowed 'General case' 0 C--N 1.323 -0.558 0 N-CA-C 108.594 -0.891 . . . . 0.0 108.594 170.211 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 43.5 mt-10 -74.28 87.74 1.99 Allowed 'General case' 0 C--N 1.323 -0.554 0 CA-C-O 121.663 0.744 . . . . 0.0 109.903 176.12 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 43' ' ' VAL . . . . . . . . . . . . . 21.0 m -129.4 -165.23 0.44 Allowed 'Isoleucine or valine' 0 C--N 1.32 -0.681 0 CA-C-N 115.364 -0.835 . . . . 0.0 110.134 -176.106 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 17.3 ptpt -58.42 150.39 22.5 Favored 'General case' 0 C--N 1.326 -0.449 0 CA-C-O 121.092 0.473 . . . . 0.0 110.955 176.568 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 58.5 tp -62.27 128.07 34.33 Favored 'General case' 0 C--N 1.323 -0.575 0 CA-C-N 115.481 -0.781 . . . . 0.0 109.97 176.884 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 21.7 t70 -59.96 154.76 18.13 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-O 121.112 0.482 . . . . 0.0 110.536 177.904 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 123.75 -11.12 8.39 Favored Glycine 0 N--CA 1.446 -0.667 0 N-CA-C 109.948 -1.261 . . . . 0.0 109.948 -169.641 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 48' ' ' MET . . . . . . . . . . . . . 15.1 tpt -56.92 127.14 30.31 Favored 'General case' 0 N--CA 1.452 -0.36 0 CA-C-N 114.76 -0.72 . . . . 0.0 109.909 172.727 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 36.0 tt0 -75.76 130.63 38.95 Favored 'General case' 0 C--N 1.32 -0.712 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.525 -179.055 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -83.15 142.65 31.06 Favored 'General case' 0 C--N 1.32 -0.704 0 CA-C-N 115.859 -0.61 . . . . 0.0 109.726 176.394 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -70.66 152.89 43.37 Favored 'General case' 0 C--N 1.323 -0.568 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.655 -178.514 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -71.77 90.2 1.07 Allowed 'General case' 0 C--N 1.323 -0.56 0 CA-C-N 115.848 -0.614 . . . . 0.0 110.702 -179.03 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 64.1 tp -93.17 110.82 22.33 Favored 'General case' 0 C--N 1.323 -0.571 0 CA-C-N 115.855 -0.611 . . . . 0.0 110.781 -178.837 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 54' ' ' ASN . . . . . 0.467 ' HA ' ' O ' ' A' ' 16' ' ' PHE . 10.3 t30 -144.28 99.08 3.32 Favored 'General case' 0 C--N 1.32 -0.703 0 CA-C-N 115.98 -0.555 . . . . 0.0 109.809 178.456 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . 179.48 177.37 47.75 Favored Glycine 0 N--CA 1.446 -0.658 0 CA-C-N 115.811 -0.631 . . . . 0.0 111.715 -179.042 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 56' ' ' SER . . . . . 0.424 ' HA ' ' O ' ' A' ' 14' ' ' LYS . 28.2 p -112.38 111.09 21.69 Favored 'General case' 0 C--N 1.322 -0.613 0 CA-C-N 116.728 0.264 . . . . 0.0 110.934 179.535 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 57' ' ' MET . . . . . 0.528 ' HB2' ' OE1' ' A' ' 61' ' ' GLN . 22.4 ptt? -167.15 -165.53 0.71 Allowed 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.34 -0.391 . . . . 0.0 110.424 178.621 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 57.9 m -89.48 162.01 15.94 Favored 'General case' 0 C--N 1.326 -0.44 0 N-CA-C 111.962 0.356 . . . . 0.0 111.962 -175.067 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 59' ' ' VAL . . . . . . . . . . . . . 61.4 t -64.28 -38.7 83.21 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.217 0 CA-C-N 116.251 -0.432 . . . . 0.0 109.958 178.358 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 60' ' ' GLU . . . . . 0.485 ' O ' ' HG3' ' A' ' 64' ' ' ARG . 24.3 mm-40 -52.07 -34.96 46.04 Favored 'General case' 0 C--N 1.331 -0.204 0 CA-C-N 115.315 -0.857 . . . . 0.0 111.27 177.109 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 61' ' ' GLN . . . . . 0.528 ' OE1' ' HB2' ' A' ' 57' ' ' MET . 79.7 mt-30 -91.03 -40.84 11.41 Favored 'General case' 0 C--N 1.322 -0.63 0 CA-C-N 115.796 -0.638 . . . . 0.0 111.181 -178.061 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . -63.92 -50.16 62.81 Favored Glycine 0 C--O 1.226 -0.354 0 C-N-CA 121.135 -0.555 . . . . 0.0 112.677 -178.633 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 63' ' ' LEU . . . . . 0.46 ' CD1' HD11 ' A' ' 67' ' ' ILE . 0.2 OUTLIER -56.02 -38.86 71.08 Favored 'General case' 0 C--N 1.328 -0.355 0 C-N-CA 122.74 0.416 . . . . 0.0 110.813 -176.478 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 64' ' ' ARG . . . . . 0.485 ' HG3' ' O ' ' A' ' 60' ' ' GLU . 35.8 mtp-105 -55.09 -60.34 3.52 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 115.677 -0.692 . . . . 0.0 111.27 178.102 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 65' ' ' ARG . . . . . 0.504 ' HA ' ' HA2' ' A' ' 69' ' ' GLY . 99.2 mtt180 -73.52 -30.76 63.3 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 115.716 -0.674 . . . . 0.0 111.247 -175.15 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 66' ' ' LEU . . . . . 0.508 HD11 HG21 ' A' ' 18' ' ' ILE . 20.2 tp -62.44 -36.22 81.72 Favored 'General case' 0 C--N 1.325 -0.499 0 CA-C-N 115.877 -0.601 . . . . 0.0 111.091 -177.2 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 67' ' ' ILE . . . . . 0.507 ' HB ' ' ND2' ' A' ' 111' ' ' ASN . 54.0 mt -90.21 -65.65 0.97 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 C-N-CA 120.524 -0.47 . . . . 0.0 110.874 179.038 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . -117.53 -53.96 0.31 Allowed Glycine 0 N--CA 1.45 -0.399 0 C-N-CA 120.96 -0.638 . . . . 0.0 113.612 -177.177 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 69' ' ' GLY . . . . . 0.504 ' HA2' ' HA ' ' A' ' 65' ' ' ARG . . . 103.24 4.61 47.2 Favored Glycine 0 N--CA 1.45 -0.413 0 N-CA-C 110.571 -1.012 . . . . 0.0 110.571 -168.199 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 70' ' ' ASN . . . . . . . . . . . . . 2.7 m-20 -100.59 159.33 29.95 Favored Pre-proline 0 C--N 1.327 -0.376 0 CA-C-N 115.072 -0.564 . . . . 0.0 110.284 -177.299 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 71' ' ' PRO . . . . . 0.459 ' HB3' ' HG ' ' A' ' 105' ' ' LEU . 12.5 Cg_exo -70.41 109.34 2.41 Favored 'Trans proline' 0 C--N 1.344 0.335 0 C-N-CA 122.637 2.224 . . . . 0.0 111.019 173.062 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 72' ' ' VAL . . . . . 0.53 HG11 ' ND2' ' A' ' 111' ' ' ASN . 11.6 p -149.4 161.77 4.75 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.555 0 N-CA-C 109.575 -0.528 . . . . 0.0 109.575 -172.226 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 73' ' ' ALA . . . . . 0.501 ' CB ' HD12 ' A' ' 87' ' ' LEU . . . -110.61 118.8 37.2 Favored 'General case' 0 N--CA 1.444 -0.737 0 CA-C-O 121.09 0.471 . . . . 0.0 110.256 -176.635 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 74' ' ' PHE . . . . . 0.413 ' HB3' HD12 ' A' ' 84' ' ' LEU . 13.9 p90 -120.39 119.29 32.65 Favored 'General case' 0 C--N 1.314 -0.977 0 N-CA-C 109.521 -0.548 . . . . 0.0 109.521 179.499 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 75' ' ' ARG . . . . . . . . . . . . . 87.2 mtm180 -87.42 109.06 19.3 Favored 'General case' 0 C--N 1.316 -0.873 0 CA-C-N 115.704 -0.68 . . . . 0.0 110.963 -174.997 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 76' ' ' LEU . . . . . . . . . . . . . 82.0 mt -85.38 98.21 10.43 Favored 'General case' 0 C--N 1.32 -0.675 0 CA-C-N 115.365 -0.834 . . . . 0.0 108.824 174.4 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 77' ' ' GLN . . . . . . . . . . . . . 24.0 mt-30 -76.78 140.69 67.64 Favored Pre-proline 0 C--N 1.322 -0.62 0 CA-C-N 115.957 -0.565 . . . . 0.0 110.511 -176.273 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 78' ' ' PRO . . . . . . . . . . . . . 34.2 Cg_endo -65.48 -6.68 14.1 Favored 'Trans proline' 0 C--N 1.345 0.384 0 C-N-CA 123.162 2.575 . . . . 0.0 111.791 176.783 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 79' ' ' GLN . . . . . . . . . . . . . 77.7 mt-30 -80.77 -2.92 49.05 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 115.669 -0.696 . . . . 0.0 109.826 173.55 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . 84.05 38.88 9.74 Favored Glycine 0 N--CA 1.445 -0.724 0 CA-C-N 115.565 -0.743 . . . . 0.0 112.258 179.53 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 81' ' ' GLN . . . . . 0.509 ' HA ' ' O ' ' A' ' 37' ' ' GLN . 29.0 mm-40 -128.85 140.6 51.62 Favored 'General case' 0 C--N 1.326 -0.428 0 CA-C-N 116.717 0.258 . . . . 0.0 110.85 -178.133 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 82' ' ' ILE . . . . . 0.414 ' HB ' ' HA ' ' A' ' 38' ' ' VAL . 52.2 mt -108.41 111.71 37.17 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.428 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.246 177.808 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 83' ' ' VAL . . . . . . . . . . . . . 49.0 t -117.86 112.09 37.12 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 CA-C-N 116.432 -0.349 . . . . 0.0 110.829 -179.371 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 84' ' ' LEU . . . . . 0.413 HD12 ' HB3' ' A' ' 74' ' ' PHE . 26.7 tp -78.28 142.46 37.79 Favored 'General case' 0 C--N 1.324 -0.511 0 N-CA-C 109.407 -0.59 . . . . 0.0 109.407 176.847 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 85' ' ' SER . . . . . . . . . . . . . 41.2 m -152.08 172.57 16.11 Favored 'General case' 0 N--CA 1.448 -0.571 0 CA-C-O 121.049 0.452 . . . . 0.0 110.458 -176.802 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 86' ' ' ARG . . . . . . . . . . . . . 48.2 ttp180 -122.89 133.42 54.41 Favored 'General case' 0 C--N 1.318 -0.766 0 N-CA-C 109.177 -0.675 . . . . 0.0 109.177 177.709 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 87' ' ' LEU . . . . . 0.501 HD12 ' CB ' ' A' ' 73' ' ' ALA . 15.0 mt -133.75 122.54 16.68 Favored Pre-proline 0 C--N 1.317 -0.826 0 CA-C-N 116.383 -0.372 . . . . 0.0 111.015 -175.557 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 88' ' ' PRO . . . . . 0.445 ' HD3' ' HA ' ' A' ' 87' ' ' LEU . 6.5 Cg_exo -73.99 116.76 4.76 Favored 'Trans proline' 0 N--CA 1.458 -0.597 0 C-N-CA 122.872 2.381 . . . . 0.0 111.174 176.299 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 89' ' ' THR . . . . . 0.407 HG21 ' HA ' ' A' ' 103' ' ' THR . 26.5 m -76.13 89.97 3.07 Favored 'General case' 0 C--N 1.319 -0.72 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.369 -179.667 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 90' ' ' ALA . . . . . . . . . . . . . . . -67.21 107.35 2.32 Favored 'General case' 0 C--N 1.323 -0.549 0 CA-C-O 121.091 0.472 . . . . 0.0 109.9 177.362 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 91' ' ' ASN . . . . . . . . . . . . . 47.1 t-20 -106.34 -50.61 3.11 Favored 'General case' 0 C--N 1.321 -0.666 0 CA-C-N 115.778 -0.646 . . . . 0.0 109.6 -176.766 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 92' ' ' GLY . . . . . . . . . . . . . . . -75.21 1.3 56.68 Favored Glycine 0 N--CA 1.452 -0.283 0 CA-C-N 115.836 -0.62 . . . . 0.0 112.226 179.711 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 26.0 t70 -71.79 -26.97 62.64 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-O 121.157 0.503 . . . . 0.0 110.139 176.727 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 94' ' ' GLY . . . . . . . . . . . . . . . 95.03 5.01 61.13 Favored Glycine 0 N--CA 1.45 -0.391 0 C-N-CA 120.903 -0.665 . . . . 0.0 112.406 179.731 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 95' ' ' GLY . . . . . . . . . . . . . . . -62.16 123.5 31.37 Favored Glycine 0 N--CA 1.45 -0.382 0 C-N-CA 121.065 -0.588 . . . . 0.0 112.425 -179.864 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 96' ' ' ALA . . . . . . . . . . . . . . . -96.65 116.64 29.46 Favored 'General case' 0 C--N 1.323 -0.569 0 N-CA-C 110.59 -0.152 . . . . 0.0 110.59 -178.842 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 97' ' ' LEU . . . . . . . . . . . . . 94.3 mt 57.88 29.69 17.94 Favored 'General case' 0 N--CA 1.465 0.304 0 O-C-N 123.585 0.553 . . . . 0.0 111.155 -178.733 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 98' ' ' ALA . . . . . . . . . . . . . . . -105.01 -42.83 5.21 Favored 'General case' 0 C--N 1.326 -0.451 0 CA-C-N 115.725 -0.67 . . . . 0.0 110.179 179.954 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 99' ' ' LEU . . . . . . . . . . . . . 3.2 mm? -116.25 16.75 15.82 Favored 'General case' 0 C--N 1.324 -0.512 0 CA-C-N 115.555 -0.748 . . . . 0.0 109.663 177.682 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 100' ' ' ASP . . . . . 0.523 ' O ' HG22 ' A' ' 103' ' ' THR . 13.1 t70 -60.29 -42.6 95.83 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 115.424 -0.807 . . . . 0.0 111.752 -176.127 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 23.3 m -70.9 -16.37 62.68 Favored 'General case' 0 C--N 1.322 -0.599 0 CA-C-N 116.383 -0.371 . . . . 0.0 111.18 -178.259 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 102' ' ' LEU . . . . . . . . . . . . . 91.7 mt -101.75 -10.57 19.83 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.543 -0.299 . . . . 0.0 111.683 -177.897 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 103' ' ' THR . . . . . 0.523 HG22 ' O ' ' A' ' 100' ' ' ASP . 7.0 t -85.6 -31.65 22.5 Favored 'General case' 0 C--O 1.234 0.272 0 C-N-CA 120.439 -0.504 . . . . 0.0 110.157 179.051 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 104' ' ' VAL . . . . . . . . . . . . . 5.3 m -85.53 86.94 2.44 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.328 0 CA-C-O 121.667 0.746 . . . . 0.0 109.692 174.629 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 105' ' ' LEU . . . . . 0.459 ' HG ' ' HB3' ' A' ' 71' ' ' PRO . 62.6 tp 178.7 -32.67 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.523 0 CA-C-N 114.897 -1.047 . . . . 0.0 109.519 -174.004 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 106' ' ' GLY . . . . . . . . . . . . . . . 111.4 -137.76 14.51 Favored Glycine 0 N--CA 1.447 -0.629 0 N-CA-C 110.948 -0.861 . . . . 0.0 110.948 -177.919 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 107' ' ' ALA . . . . . . . . . . . . . . . -85.39 109.58 18.52 Favored 'General case' 0 C--N 1.322 -0.595 0 N-CA-C 109.991 -0.374 . . . . 0.0 109.991 176.384 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 108' ' ' GLY . . . . . . . . . . . . . . . -71.87 108.41 2.48 Favored Glycine 0 N--CA 1.448 -0.547 0 C-N-CA 120.911 -0.661 . . . . 0.0 112.366 -179.038 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 109' ' ' GLY . . . . . . . . . . . . . . . -126.34 -149.0 7.23 Favored Glycine 0 N--CA 1.444 -0.827 0 N-CA-C 111.513 -0.635 . . . . 0.0 111.513 -179.646 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 110' ' ' ASN . . . . . 0.498 ' HA ' HG23 ' A' ' 72' ' ' VAL . 3.5 p-10 -122.79 147.26 46.73 Favored 'General case' 0 C--N 1.321 -0.667 0 CA-C-O 120.696 0.284 . . . . 0.0 110.333 178.372 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 111' ' ' ASN . . . . . 0.53 ' ND2' HG11 ' A' ' 72' ' ' VAL . 40.3 m-20 -63.44 134.69 56.09 Favored 'General case' 0 C--N 1.328 -0.353 0 N-CA-C 109.019 -0.734 . . . . 0.0 109.019 172.185 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 112' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.248 0.996 0 O-C-N 123.844 0.715 . . . . 0.0 111.864 -175.055 . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 16.5 m . . . . . 0 N--CA 1.473 0.709 0 N-CA-C 110.267 -0.272 . . . . 0.0 110.267 . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' A' A ' 7' ' ' MET . . . . . . . . . . . . . 14.4 tpt -151.05 109.45 3.78 Favored 'General case' 0 C--N 1.324 -0.509 0 CA-C-O 120.92 0.39 . . . . 0.0 110.059 179.517 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -66.05 -35.87 81.71 Favored 'General case' 0 C--N 1.326 -0.451 0 CA-C-N 115.998 -0.546 . . . . 0.0 111.379 -177.583 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 9' ' ' GLN . . . . . . . . . . . . . 15.4 mm100 -83.09 11.66 6.07 Favored 'General case' 0 C--N 1.326 -0.453 0 CA-C-N 116.3 -0.409 . . . . 0.0 111.846 -178.589 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -95.25 20.07 9.76 Favored 'General case' 0 C--N 1.326 -0.446 0 CA-C-O 120.626 0.25 . . . . 0.0 110.886 179.312 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . 66.84 84.17 0.16 Allowed 'General case' 0 C--O 1.232 0.174 0 CA-C-N 115.598 -0.728 . . . . 0.0 111.248 179.708 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 26.9 tp60 -65.08 110.1 2.39 Favored 'General case' 0 C--N 1.324 -0.537 0 CA-C-N 115.577 -0.738 . . . . 0.0 110.365 178.867 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 85.7 mt-30 -89.79 146.06 24.74 Favored 'General case' 0 C--N 1.323 -0.583 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.575 178.153 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 14' ' ' LYS . . . . . 0.5 ' HB2' ' CZ ' ' A' ' 16' ' ' PHE . 35.0 mmtp -130.72 156.85 44.25 Favored 'General case' 0 C--N 1.324 -0.512 0 N-CA-C 109.614 -0.513 . . . . 0.0 109.614 177.073 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 15' ' ' ASN . . . . . . . . . . . . . 81.8 m-20 -81.79 99.75 9.16 Favored 'General case' 0 C--N 1.325 -0.494 0 CA-C-N 116.336 -0.393 . . . . 0.0 110.336 -179.254 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 16' ' ' PHE . . . . . 0.5 ' CZ ' ' HB2' ' A' ' 14' ' ' LYS . 47.0 m-85 -104.64 141.06 37.1 Favored 'General case' 0 C--N 1.324 -0.514 0 CA-C-O 120.964 0.411 . . . . 0.0 110.687 -179.632 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 5.4 t30 -150.98 98.71 2.62 Favored 'General case' 0 C--N 1.323 -0.557 0 CA-C-N 116.002 -0.544 . . . . 0.0 109.733 177.85 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 18' ' ' ILE . . . . . . . . . . . . . 35.6 mt -128.37 117.46 45.31 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.533 0 CA-C-O 120.755 0.312 . . . . 0.0 110.894 -176.07 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -64.32 142.15 58.52 Favored 'General case' 0 C--N 1.327 -0.413 0 N-CA-C 109.24 -0.652 . . . . 0.0 109.24 172.328 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -63.51 103.99 0.59 Allowed 'General case' 0 C--N 1.328 -0.367 0 CA-C-O 121.356 0.598 . . . . 0.0 111.088 -175.318 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 21' ' ' GLN . . . . . 0.417 ' HB3' ' HD2' ' A' ' 22' ' ' PRO . 79.3 mt-30 -103.92 173.72 3.22 Favored Pre-proline 0 C--N 1.321 -0.642 0 CA-C-N 115.032 -0.985 . . . . 0.0 109.748 176.468 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 22' ' ' PRO . . . . . 0.472 ' HA ' ' O ' ' A' ' 48' ' ' MET . 47.5 Cg_exo -57.57 135.44 69.61 Favored 'Trans proline' 0 N--CA 1.46 -0.454 0 C-N-CA 121.559 1.506 . . . . 0.0 110.22 167.097 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 54.8 tp -48.59 -44.41 36.9 Favored 'General case' 0 C--O 1.237 0.423 0 N-CA-C 112.304 0.483 . . . . 0.0 112.304 -168.931 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 24' ' ' GLN . . . . . 0.455 ' O ' ' HB2' ' A' ' 28' ' ' LEU . 49.4 mt-30 -61.61 -33.33 73.73 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.596 -179.493 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 25' ' ' SER . . . . . 0.404 ' O ' ' HG2' ' A' ' 29' ' ' ARG . 32.7 t -87.87 -28.1 21.79 Favored 'General case' 0 C--N 1.325 -0.486 0 CA-C-O 120.91 0.386 . . . . 0.0 110.247 179.444 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -61.76 -56.4 19.96 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 115.944 -0.571 . . . . 0.0 110.872 179.93 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 27' ' ' MET . . . . . 0.759 ' SD ' ' HB ' ' A' ' 38' ' ' VAL . 35.7 mtt -71.52 -24.65 62.0 Favored 'General case' 0 C--O 1.217 -0.644 0 CA-C-N 116.268 -0.423 . . . . 0.0 110.456 178.954 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 28' ' ' LEU . . . . . 0.455 ' HB2' ' O ' ' A' ' 24' ' ' GLN . 9.6 tt -56.84 -36.09 69.61 Favored 'General case' 0 C--N 1.319 -0.73 0 N-CA-C 109.649 -0.5 . . . . 0.0 109.649 176.1 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 29' ' ' ARG . . . . . 0.404 ' HG2' ' O ' ' A' ' 25' ' ' SER . 29.2 mmm180 -70.37 -55.72 8.42 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 115.947 -0.569 . . . . 0.0 111.686 179.888 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 21.0 t80 -80.4 -49.91 10.83 Favored 'General case' 0 C--N 1.327 -0.397 0 N-CA-C 112.176 0.436 . . . . 0.0 112.176 -175.56 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -65.77 -26.78 67.87 Favored 'General case' 0 C--N 1.323 -0.584 0 CA-C-N 116.352 -0.386 . . . . 0.0 111.994 -170.444 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 7.5 pt-20 -62.21 -32.14 72.77 Favored 'General case' 0 N--CA 1.465 0.304 0 C-N-CA 120.065 -0.654 . . . . 0.0 110.374 176.422 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 33' ' ' GLN . . . . . . . . . . . . . 48.4 mt-30 -77.65 -14.25 59.68 Favored 'General case' 0 C--N 1.331 -0.239 0 CA-C-O 121.324 0.583 . . . . 0.0 109.855 178.373 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -106.88 5.93 28.86 Favored 'General case' 0 C--N 1.325 -0.489 0 CA-C-N 115.622 -0.717 . . . . 0.0 110.841 178.764 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 67.9 32.96 78.43 Favored Glycine 0 CA--C 1.519 0.323 0 CA-C-N 116.004 -0.543 . . . . 0.0 112.796 178.09 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 36' ' ' MET . . . . . . . . . . . . . 73.8 mtm -139.3 175.04 9.9 Favored 'General case' 0 C--N 1.323 -0.569 0 CA-C-O 120.776 0.322 . . . . 0.0 110.612 -178.866 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 37' ' ' GLN . . . . . . . . . . . . . 54.4 tt0 -150.8 158.41 44.12 Favored 'General case' 0 C--N 1.322 -0.608 0 N-CA-C 108.596 -0.89 . . . . 0.0 108.596 177.004 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 38' ' ' VAL . . . . . 0.759 ' HB ' ' SD ' ' A' ' 27' ' ' MET . 2.9 p -77.23 127.67 38.11 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.395 0 CA-C-O 121.212 0.529 . . . . 0.0 110.936 -176.092 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 39' ' ' PHE . . . . . . . . . . . . . 37.3 t80 -119.2 139.54 51.68 Favored 'General case' 0 C--N 1.324 -0.514 0 CA-C-N 115.582 -0.735 . . . . 0.0 109.508 -178.61 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 40' ' ' PHE . . . . . . . . . . . . . 25.3 p90 -143.25 131.77 22.34 Favored 'General case' 0 C--N 1.32 -0.677 0 CA-C-O 121.114 0.483 . . . . 0.0 110.601 -178.454 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 6.3 m-20 -82.36 -70.6 0.54 Allowed 'General case' 0 CA--C 1.515 -0.396 0 CA-C-N 115.53 -0.759 . . . . 0.0 110.57 -179.721 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 35.7 mt-10 -115.96 86.58 2.51 Favored 'General case' 0 C--N 1.319 -0.736 0 CA-C-N 115.801 -0.636 . . . . 0.0 109.838 -179.333 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 43' ' ' VAL . . . . . . . . . . . . . 98.4 t -145.24 109.99 1.04 Allowed 'Isoleucine or valine' 0 C--N 1.323 -0.568 0 CA-C-N 115.357 -0.838 . . . . 0.0 109.255 178.787 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 25.9 ttpp -125.9 88.69 2.9 Favored 'General case' 0 C--N 1.321 -0.637 0 CA-C-O 121.223 0.535 . . . . 0.0 110.062 -179.356 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 4.3 tt -140.97 99.82 3.68 Favored 'General case' 0 C--N 1.32 -0.68 0 N-CA-C 108.192 -1.04 . . . . 0.0 108.192 176.94 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 17.1 m-20 -64.01 116.39 5.83 Favored 'General case' 0 C--N 1.322 -0.602 0 CA-C-N 115.695 -0.684 . . . . 0.0 110.814 -176.224 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 86.16 22.06 49.91 Favored Glycine 0 N--CA 1.448 -0.554 0 C-N-CA 120.964 -0.636 . . . . 0.0 112.554 179.151 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 48' ' ' MET . . . . . 0.472 ' O ' ' HA ' ' A' ' 22' ' ' PRO . 27.6 ttt -50.42 120.07 4.28 Favored 'General case' 0 N--CA 1.465 0.302 0 C-N-CA 122.687 0.395 . . . . 0.0 110.905 -179.902 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 28.5 tt0 -106.0 147.56 28.71 Favored 'General case' 0 C--N 1.324 -0.519 0 CA-C-O 120.804 0.335 . . . . 0.0 110.742 -174.904 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -88.21 -169.42 2.56 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-N 116.006 -0.543 . . . . 0.0 110.406 177.198 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -105.36 174.46 5.87 Favored 'General case' 0 C--N 1.325 -0.499 0 CA-C-O 120.844 0.354 . . . . 0.0 110.76 -178.95 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -77.17 93.41 3.92 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.078 -0.51 . . . . 0.0 111.077 -179.714 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 53' ' ' LEU . . . . . 0.421 HD13 ' C ' ' A' ' 53' ' ' LEU . 3.4 tm? -82.99 108.64 16.45 Favored 'General case' 0 C--N 1.324 -0.522 0 CA-C-N 115.79 -0.641 . . . . 0.0 110.001 179.318 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 54' ' ' ASN . . . . . . . . . . . . . 17.3 m120 -144.22 99.09 3.32 Favored 'General case' 0 C--N 1.325 -0.499 0 N-CA-C 109.57 -0.53 . . . . 0.0 109.57 176.53 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . 178.86 159.84 23.83 Favored Glycine 0 N--CA 1.449 -0.436 0 C-N-CA 119.893 -1.146 . . . . 0.0 113.222 -179.771 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 22.8 t -102.91 99.64 9.57 Favored 'General case' 0 C--N 1.323 -0.577 0 N-CA-C 109.174 -0.676 . . . . 0.0 109.174 175.024 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 57' ' ' MET . . . . . . . . . . . . . 18.0 ptp -151.21 -175.99 5.38 Favored 'General case' 0 C--N 1.323 -0.546 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.518 -175.558 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 15.2 m -87.35 177.65 7.07 Favored 'General case' 0 C--N 1.322 -0.595 0 C-N-CA 121.229 -0.188 . . . . 0.0 110.635 -177.881 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 59' ' ' VAL . . . . . . . . . . . . . 9.7 p -63.03 -39.14 84.08 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.386 0 CA-C-O 120.96 0.41 . . . . 0.0 110.419 -178.143 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 60' ' ' GLU . . . . . 0.564 ' HA ' ' CZ ' ' A' ' 74' ' ' PHE . 2.6 mp0 -58.05 -59.51 5.17 Favored 'General case' 0 C--N 1.325 -0.48 0 CA-C-N 115.515 -0.766 . . . . 0.0 111.378 -179.988 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 61' ' ' GLN . . . . . . . . . . . . . 15.6 mm100 -68.85 -35.71 77.27 Favored 'General case' 0 C--N 1.324 -0.543 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.462 -177.905 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . -61.6 -55.41 28.94 Favored Glycine 0 N--CA 1.445 -0.736 0 CA-C-N 115.906 -0.588 . . . . 0.0 112.321 -179.345 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 3.0 mm? -58.68 -40.7 84.29 Favored 'General case' 0 C--N 1.329 -0.322 0 N-CA-C 111.825 0.305 . . . . 0.0 111.825 -177.5 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 64' ' ' ARG . . . . . . . . . . . . . 82.7 mtt180 -63.48 -41.58 98.57 Favored 'General case' 0 C--N 1.325 -0.476 0 CA-C-N 116.66 -0.246 . . . . 0.0 111.06 -178.877 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 65' ' ' ARG . . . . . 0.561 ' HA ' ' HA2' ' A' ' 69' ' ' GLY . 87.8 mtt180 -80.2 -27.27 38.88 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-O 120.889 0.375 . . . . 0.0 111.062 179.176 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 6.7 tt -66.24 -48.95 68.89 Favored 'General case' 0 C--N 1.325 -0.483 0 CA-C-N 115.456 -0.793 . . . . 0.0 110.914 -178.665 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 67' ' ' ILE . . . . . 0.482 HD13 HD12 ' A' ' 84' ' ' LEU . 44.1 mt -79.52 -63.58 1.1 Allowed 'Isoleucine or valine' 0 C--N 1.323 -0.587 0 CA-C-N 116.13 -0.486 . . . . 0.0 111.584 -172.98 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 68' ' ' GLY . . . . . 0.406 ' HA3' ' OD1' ' A' ' 111' ' ' ASN . . . -114.48 -42.74 0.8 Allowed Glycine 0 N--CA 1.451 -0.333 0 C-N-CA 120.514 -0.851 . . . . 0.0 113.359 -176.869 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 69' ' ' GLY . . . . . 0.561 ' HA2' ' HA ' ' A' ' 65' ' ' ARG . . . 105.78 -8.23 42.8 Favored Glycine 0 N--CA 1.448 -0.546 0 C-N-CA 121.033 -0.603 . . . . 0.0 111.962 -171.126 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 70' ' ' ASN . . . . . 0.447 HD22 ' HA ' ' A' ' 112' ' ' ALA . 84.1 m-20 -100.6 156.41 35.23 Favored Pre-proline 0 C--N 1.328 -0.341 0 CA-C-O 120.659 0.266 . . . . 0.0 110.497 -179.353 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 71' ' ' PRO . . . . . 0.413 ' HD3' ' HA ' ' A' ' 70' ' ' ASN . 2.7 Cg_exo -75.67 99.34 1.26 Allowed 'Trans proline' 0 N--CA 1.462 -0.382 0 C-N-CA 122.812 2.342 . . . . 0.0 111.879 177.837 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 72' ' ' VAL . . . . . 0.404 HG21 ' O ' ' A' ' 111' ' ' ASN . 2.3 t -138.57 160.73 31.01 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.543 0 N-CA-C 107.515 -1.291 . . . . 0.0 107.515 179.189 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -105.96 119.59 39.58 Favored 'General case' 0 N--CA 1.445 -0.693 0 C-N-CA 120.454 -0.498 . . . . 0.0 111.402 -166.019 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 74' ' ' PHE . . . . . 0.564 ' CZ ' ' HA ' ' A' ' 60' ' ' GLU . 21.2 p90 -110.19 146.38 35.65 Favored 'General case' 0 C--N 1.314 -0.948 0 N-CA-C 109.238 -0.653 . . . . 0.0 109.238 178.237 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 75' ' ' ARG . . . . . 0.421 HH11 ' HD2' ' A' ' 75' ' ' ARG . 53.5 mtm180 -119.32 111.46 18.21 Favored 'General case' 0 C--N 1.315 -0.91 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.319 -177.048 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 76' ' ' LEU . . . . . . . . . . . . . 51.3 mt -78.04 99.2 6.01 Favored 'General case' 0 C--N 1.326 -0.446 0 N-CA-C 109.391 -0.596 . . . . 0.0 109.391 178.507 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 77' ' ' GLN . . . . . 0.447 ' C ' ' H ' ' A' ' 79' ' ' GLN . 85.4 mm-40 -78.53 135.94 60.25 Favored Pre-proline 0 C--N 1.32 -0.69 0 CA-C-N 115.905 -0.589 . . . . 0.0 110.832 -176.004 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 78' ' ' PRO . . . . . 0.41 ' HD3' ' HA ' ' A' ' 77' ' ' GLN . 17.0 Cg_exo -68.11 9.4 0.38 Allowed 'Trans proline' 0 C--N 1.347 0.499 0 C-N-CA 123.271 2.648 . . . . 0.0 112.034 175.33 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 79' ' ' GLN . . . . . 0.447 ' H ' ' C ' ' A' ' 77' ' ' GLN . 14.8 mt-30 -99.26 11.89 37.77 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-N 115.511 -0.768 . . . . 0.0 109.85 179.094 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . 76.28 35.5 42.68 Favored Glycine 0 N--CA 1.451 -0.312 0 CA-C-N 115.855 -0.611 . . . . 0.0 112.047 -177.936 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 81' ' ' GLN . . . . . . . . . . . . . 75.7 mt-30 -135.6 127.09 28.7 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-O 120.775 0.322 . . . . 0.0 111.742 -173.949 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 82' ' ' ILE . . . . . . . . . . . . . 48.2 mt -102.82 108.85 25.15 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.705 0 N-CA-C 109.0 -0.741 . . . . 0.0 109.0 171.06 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 83' ' ' VAL . . . . . . . . . . . . . 18.9 m -117.06 141.66 34.41 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.603 0 CA-C-N 116.337 -0.392 . . . . 0.0 110.63 -179.552 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 84' ' ' LEU . . . . . 0.54 HD23 ' N ' ' A' ' 85' ' ' SER . 2.4 tt -107.55 137.66 45.17 Favored 'General case' 0 C--N 1.318 -0.799 0 N-CA-C 109.271 -0.64 . . . . 0.0 109.271 -179.175 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 85' ' ' SER . . . . . 0.54 ' N ' HD23 ' A' ' 84' ' ' LEU . 14.6 m -126.27 138.71 53.63 Favored 'General case' 0 N--CA 1.444 -0.769 0 N-CA-C 109.911 -0.403 . . . . 0.0 109.911 -177.618 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 86' ' ' ARG . . . . . . . . . . . . . 15.3 tpp180 -79.86 73.2 6.63 Favored 'General case' 0 C--N 1.324 -0.527 0 CA-C-O 121.654 0.74 . . . . 0.0 109.576 -179.18 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 87' ' ' LEU . . . . . . . . . . . . . 37.2 mt -112.53 140.76 24.19 Favored Pre-proline 0 C--N 1.32 -0.704 0 CA-C-N 114.991 -1.004 . . . . 0.0 110.108 -176.253 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 88' ' ' PRO . . . . . . . . . . . . . 27.9 Cg_endo -63.37 106.12 0.55 Allowed 'Trans proline' 0 N--CA 1.464 -0.246 0 C-N-CA 122.67 2.247 . . . . 0.0 111.748 177.866 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 89' ' ' THR . . . . . . . . . . . . . 25.5 m -73.66 102.12 3.84 Favored 'General case' 0 C--N 1.322 -0.601 0 CA-C-N 115.897 -0.592 . . . . 0.0 110.273 -179.789 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 90' ' ' ALA . . . . . . . . . . . . . . . -89.72 108.49 19.71 Favored 'General case' 0 C--N 1.325 -0.49 0 CA-C-N 116.07 -0.514 . . . . 0.0 111.025 -178.269 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 91' ' ' ASN . . . . . . . . . . . . . 3.2 p-10 -131.35 -25.35 2.19 Favored 'General case' 0 C--N 1.321 -0.649 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.153 175.375 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 92' ' ' GLY . . . . . . . . . . . . . . . -62.99 -42.36 99.69 Favored Glycine 0 N--CA 1.45 -0.414 0 C-N-CA 121.028 -0.606 . . . . 0.0 112.416 -176.793 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 11.2 p-10 -83.35 5.53 23.07 Favored 'General case' 0 C--N 1.324 -0.51 0 CA-C-O 120.94 0.4 . . . . 0.0 110.492 -179.29 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 94' ' ' GLY . . . . . . . . . . . . . . . 95.45 -9.72 69.22 Favored Glycine 0 N--CA 1.447 -0.592 0 C-N-CA 120.983 -0.627 . . . . 0.0 111.838 -177.88 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 95' ' ' GLY . . . . . . . . . . . . . . . 82.7 62.12 1.89 Allowed Glycine 0 N--CA 1.446 -0.69 0 C-N-CA 120.776 -0.726 . . . . 0.0 112.124 179.809 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 96' ' ' ALA . . . . . . . . . . . . . . . -62.83 145.83 54.1 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.96 0.409 . . . . 0.0 110.552 177.523 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 97' ' ' LEU . . . . . . . . . . . . . 2.8 mm? -77.77 13.5 1.32 Allowed 'General case' 0 C--N 1.326 -0.414 0 CA-C-N 116.132 -0.485 . . . . 0.0 111.334 -175.551 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 98' ' ' ALA . . . . . . . . . . . . . . . -75.3 -21.2 58.65 Favored 'General case' 0 C--N 1.325 -0.482 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.464 177.116 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 99' ' ' LEU . . . . . 0.454 ' O ' HD22 ' A' ' 102' ' ' LEU . 71.0 mt -105.46 16.84 24.88 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-N 116.007 -0.542 . . . . 0.0 111.076 179.739 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 100' ' ' ASP . . . . . . . . . . . . . 21.9 t70 -68.7 -18.05 64.18 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 121.492 0.663 . . . . 0.0 110.496 179.62 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 4.8 p -70.45 0.71 6.11 Favored 'General case' 0 C--N 1.322 -0.589 0 CA-C-N 115.627 -0.715 . . . . 0.0 111.663 178.494 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 102' ' ' LEU . . . . . 0.454 HD22 ' O ' ' A' ' 99' ' ' LEU . 1.7 pt? -67.11 -21.26 65.86 Favored 'General case' 0 CA--C 1.531 0.213 0 CA-C-O 120.688 0.28 . . . . 0.0 111.194 -179.593 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 103' ' ' THR . . . . . . . . . . . . . 19.0 m -62.89 -40.45 97.6 Favored 'General case' 0 C--O 1.235 0.307 0 CA-C-O 121.161 0.505 . . . . 0.0 110.93 179.903 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 104' ' ' VAL . . . . . . . . . . . . . 27.9 m -97.27 154.07 3.75 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.634 0 CA-C-N 115.962 -0.563 . . . . 0.0 109.584 177.475 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 105' ' ' LEU . . . . . 0.461 ' O ' ' HG ' ' A' ' 105' ' ' LEU . 46.1 tp 61.25 28.48 18.03 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-O 121.526 0.679 . . . . 0.0 109.595 -177.17 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 106' ' ' GLY . . . . . . . . . . . . . . . -67.45 123.51 20.22 Favored Glycine 0 N--CA 1.447 -0.599 0 CA-C-N 115.458 -0.792 . . . . 0.0 112.558 -176.684 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 107' ' ' ALA . . . . . . . . . . . . . . . -81.73 109.75 16.42 Favored 'General case' 0 C--N 1.323 -0.576 0 N-CA-C 110.259 -0.274 . . . . 0.0 110.259 177.92 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 108' ' ' GLY . . . . . . . . . . . . . . . -66.9 141.52 40.07 Favored Glycine 0 N--CA 1.449 -0.494 0 C-N-CA 120.786 -0.721 . . . . 0.0 112.116 179.077 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 109' ' ' GLY . . . . . . . . . . . . . . . -169.46 -171.84 35.5 Favored Glycine 0 N--CA 1.446 -0.659 0 C-N-CA 120.71 -0.757 . . . . 0.0 111.872 -179.213 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 110' ' ' ASN . . . . . . . . . . . . . 26.4 p-10 -99.94 -171.12 1.99 Allowed 'General case' 0 C--N 1.322 -0.63 0 N-CA-C 110.136 -0.32 . . . . 0.0 110.136 -179.6 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 111' ' ' ASN . . . . . 0.406 ' OD1' ' HA3' ' A' ' 68' ' ' GLY . 18.2 t-20 -90.16 -55.68 3.51 Favored 'General case' 0 C--N 1.324 -0.512 0 CA-C-O 121.226 0.536 . . . . 0.0 110.097 -179.837 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 112' ' ' ALA . . . . . 0.447 ' HA ' HD22 ' A' ' 70' ' ' ASN . . . . . . . . 0 C--O 1.25 1.128 0 CA-C-O 118.661 -0.685 . . . . 0.0 110.778 -178.636 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 34.5 t . . . . . 0 N--CA 1.476 0.829 0 CA-C-O 120.839 0.352 . . . . 0.0 110.198 . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' A' A ' 7' ' ' MET . . . . . . . . . . . . . 1.3 tmt? -128.06 -62.19 1.07 Allowed 'General case' 0 C--N 1.324 -0.514 0 N-CA-C 109.648 -0.501 . . . . 0.0 109.648 177.985 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -68.17 -36.05 79.0 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.06 -0.518 . . . . 0.0 110.88 -178.882 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 9' ' ' GLN . . . . . . . . . . . . . 15.9 mm100 -76.69 -29.9 56.48 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 116.277 -0.42 . . . . 0.0 110.465 178.626 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -74.67 -32.37 62.21 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 115.985 -0.552 . . . . 0.0 110.45 178.528 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -84.89 -175.87 5.96 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-N 115.622 -0.717 . . . . 0.0 109.977 176.138 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 13.6 pt20 -130.45 99.91 5.17 Favored 'General case' 0 C--N 1.321 -0.655 0 CA-C-O 121.158 0.504 . . . . 0.0 110.989 -176.23 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 13' ' ' GLN . . . . . 0.445 ' O ' ' HG2' ' A' ' 13' ' ' GLN . 5.1 pm0 -80.7 102.21 9.75 Favored 'General case' 0 C--N 1.323 -0.545 0 CA-C-O 121.773 0.797 . . . . 0.0 110.46 178.853 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 74.4 mmtt -109.54 137.13 47.82 Favored 'General case' 0 C--N 1.32 -0.699 0 CA-C-N 115.52 -0.764 . . . . 0.0 109.328 178.638 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 15' ' ' ASN . . . . . 0.445 ' HA ' ' HA ' ' A' ' 56' ' ' SER . 6.4 p30 -83.53 118.41 23.77 Favored 'General case' 0 C--N 1.32 -0.676 0 CA-C-O 121.223 0.535 . . . . 0.0 110.932 -179.169 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 16' ' ' PHE . . . . . 0.419 ' O ' ' HA ' ' A' ' 54' ' ' ASN . 94.0 m-85 -116.1 141.72 47.76 Favored 'General case' 0 C--N 1.321 -0.666 0 CA-C-N 115.876 -0.602 . . . . 0.0 110.353 179.339 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 9.9 t30 -138.72 95.5 2.98 Favored 'General case' 0 C--N 1.321 -0.642 0 N-CA-C 109.421 -0.585 . . . . 0.0 109.421 176.328 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 18' ' ' ILE . . . . . 0.452 ' HB ' ' HB3' ' A' ' 53' ' ' LEU . 13.2 mm -117.74 121.59 67.78 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.769 0 CA-C-N 115.955 -0.566 . . . . 0.0 109.824 -175.938 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -67.39 146.31 54.18 Favored 'General case' 0 C--N 1.325 -0.489 0 N-CA-C 109.095 -0.705 . . . . 0.0 109.095 174.091 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -68.4 101.51 1.24 Allowed 'General case' 0 N--CA 1.452 -0.338 0 CA-C-O 121.562 0.696 . . . . 0.0 110.573 -175.305 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 21' ' ' GLN . . . . . . . . . . . . . 33.2 mt-30 -107.23 170.67 5.39 Favored Pre-proline 0 C--N 1.317 -0.837 0 CA-C-N 114.557 -1.201 . . . . 0.0 110.111 178.039 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 22' ' ' PRO . . . . . . . . . . . . . 51.3 Cg_exo -56.03 136.88 77.16 Favored 'Trans proline' 0 C--N 1.346 0.401 0 C-N-CA 121.632 1.554 . . . . 0.0 109.547 166.18 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 23' ' ' LEU . . . . . 0.494 ' N ' ' HA ' ' A' ' 49' ' ' GLN . 0.9 OUTLIER -53.0 -41.5 64.71 Favored 'General case' 0 C--N 1.325 -0.458 0 N-CA-C 112.954 0.724 . . . . 0.0 112.954 -166.286 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 52.6 mt-30 -65.98 -39.16 90.12 Favored 'General case' 0 C--N 1.325 -0.497 0 CA-C-O 120.75 0.309 . . . . 0.0 111.005 -179.811 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 18.0 m -76.99 -30.72 56.06 Favored 'General case' 0 C--N 1.325 -0.467 0 CA-C-O 121.034 0.445 . . . . 0.0 110.594 179.266 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -62.58 -51.94 65.35 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 115.75 -0.659 . . . . 0.0 110.794 178.995 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 27' ' ' MET . . . . . 0.409 ' HG3' ' HB ' ' A' ' 38' ' ' VAL . 26.5 mmt -70.41 -23.91 62.83 Favored 'General case' 0 C--N 1.323 -0.557 0 CA-C-N 115.396 -0.82 . . . . 0.0 110.82 -178.574 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 28' ' ' LEU . . . . . 0.526 ' O ' ' HB3' ' A' ' 32' ' ' GLU . 8.4 tt -61.58 -32.29 72.38 Favored 'General case' 0 C--N 1.322 -0.608 0 N-CA-C 109.072 -0.714 . . . . 0.0 109.072 175.1 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 29' ' ' ARG . . . . . 0.53 ' O ' ' HG2' ' A' ' 32' ' ' GLU . 21.5 mmt180 -85.72 -47.57 9.65 Favored 'General case' 0 C--N 1.332 -0.184 0 CA-C-N 116.116 -0.493 . . . . 0.0 111.766 179.523 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 8.3 t80 -67.15 -52.36 42.5 Favored 'General case' 0 C--N 1.32 -0.687 0 CA-C-O 121.385 0.612 . . . . 0.0 111.067 -179.834 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -77.69 -17.73 57.36 Favored 'General case' 0 C--N 1.318 -0.794 0 CA-C-N 115.722 -0.672 . . . . 0.0 112.201 -171.136 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 32' ' ' GLU . . . . . 0.53 ' HG2' ' O ' ' A' ' 29' ' ' ARG . 13.8 pt-20 -63.64 -29.6 70.82 Favored 'General case' 0 N--CA 1.467 0.413 0 C-N-CA 120.125 -0.63 . . . . 0.0 109.97 176.845 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 33' ' ' GLN . . . . . . . . . . . . . 74.0 mt-30 -79.19 -30.15 43.24 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 115.722 -0.672 . . . . 0.0 110.117 178.141 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -92.34 1.07 57.45 Favored 'General case' 0 C--N 1.326 -0.453 0 CA-C-N 115.744 -0.662 . . . . 0.0 111.714 -177.062 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 69.72 38.89 77.51 Favored Glycine 0 C--N 1.332 0.314 0 C-N-CA 121.084 -0.579 . . . . 0.0 112.216 -179.771 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 36' ' ' MET . . . . . . . . . . . . . 51.3 mtp -141.3 174.73 10.26 Favored 'General case' 0 C--N 1.324 -0.508 0 N-CA-C 110.167 -0.308 . . . . 0.0 110.167 -175.226 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 37' ' ' GLN . . . . . . . . . . . . . 41.9 tt0 -154.86 154.42 32.67 Favored 'General case' 0 C--N 1.326 -0.44 0 N-CA-C 109.135 -0.691 . . . . 0.0 109.135 172.04 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 38' ' ' VAL . . . . . 0.409 ' HB ' ' HG3' ' A' ' 27' ' ' MET . 7.4 p -90.6 146.35 6.31 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.398 0 CA-C-O 120.877 0.37 . . . . 0.0 111.412 -174.622 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 39' ' ' PHE . . . . . . . . . . . . . 65.2 t80 -138.88 134.9 33.89 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.041 -0.527 . . . . 0.0 109.957 -179.793 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 40' ' ' PHE . . . . . . . . . . . . . 51.1 m-85 -117.44 179.17 4.13 Favored 'General case' 0 C--N 1.324 -0.51 0 CA-C-N 116.306 -0.406 . . . . 0.0 110.542 -177.796 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 3.9 m-20 -68.87 155.56 40.03 Favored 'General case' 0 C--N 1.324 -0.501 0 N-CA-C 109.552 -0.536 . . . . 0.0 109.552 173.18 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 48.5 mt-10 -75.91 87.86 2.89 Favored 'General case' 0 C--N 1.324 -0.533 0 N-CA-C 109.479 -0.563 . . . . 0.0 109.479 176.566 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 43' ' ' VAL . . . . . . . . . . . . . 23.9 m -138.96 147.84 24.5 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.643 0 CA-C-N 115.597 -0.729 . . . . 0.0 110.295 -179.24 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 21.6 ttmm -91.85 88.96 6.84 Favored 'General case' 0 C--N 1.317 -0.817 0 N-CA-C 109.145 -0.687 . . . . 0.0 109.145 177.412 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 51.1 tp -136.81 133.68 36.19 Favored 'General case' 0 C--N 1.324 -0.529 0 CA-C-N 115.96 -0.564 . . . . 0.0 111.099 -173.72 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 15.6 m-20 -111.14 155.83 22.29 Favored 'General case' 0 C--N 1.323 -0.578 0 CA-C-N 115.885 -0.598 . . . . 0.0 110.513 174.724 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 112.07 -0.97 26.99 Favored Glycine 0 N--CA 1.45 -0.373 0 C-N-CA 120.833 -0.699 . . . . 0.0 112.665 177.446 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 48' ' ' MET . . . . . . . . . . . . . 71.2 mtm -79.29 118.62 21.38 Favored 'General case' 0 C--N 1.325 -0.488 0 N-CA-C 109.807 -0.442 . . . . 0.0 109.807 -179.875 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 49' ' ' GLN . . . . . 0.494 ' HA ' ' N ' ' A' ' 23' ' ' LEU . 4.1 pt20 -154.18 160.73 42.01 Favored 'General case' 0 C--N 1.322 -0.618 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.436 -176.964 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 50' ' ' ALA . . . . . 0.41 ' HA ' ' O ' ' A' ' 66' ' ' LEU . . . -90.81 158.58 16.75 Favored 'General case' 0 C--N 1.321 -0.634 0 CA-C-N 115.677 -0.692 . . . . 0.0 110.472 -179.473 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -89.67 -176.96 5.16 Favored 'General case' 0 C--N 1.323 -0.578 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.363 177.418 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -72.6 90.67 1.37 Allowed 'General case' 0 C--N 1.328 -0.343 0 CA-C-O 121.443 0.64 . . . . 0.0 110.344 178.53 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 53' ' ' LEU . . . . . 0.452 ' HB3' ' HB ' ' A' ' 18' ' ' ILE . 1.1 tm? -83.05 112.18 19.55 Favored 'General case' 0 C--N 1.321 -0.663 0 CA-C-N 115.356 -0.838 . . . . 0.0 110.416 -176.053 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 54' ' ' ASN . . . . . 0.419 ' HA ' ' O ' ' A' ' 16' ' ' PHE . 26.5 t-20 -155.19 105.33 2.5 Favored 'General case' 0 C--N 1.324 -0.5 0 N-CA-C 109.577 -0.527 . . . . 0.0 109.577 174.889 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . 178.55 158.62 21.51 Favored Glycine 0 N--CA 1.45 -0.411 0 C-N-CA 120.309 -0.948 . . . . 0.0 112.872 179.567 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 56' ' ' SER . . . . . 0.445 ' HA ' ' HA ' ' A' ' 15' ' ' ASN . 21.7 m -96.82 104.31 16.3 Favored 'General case' 0 C--N 1.329 -0.316 0 N-CA-C 109.486 -0.561 . . . . 0.0 109.486 174.793 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 57' ' ' MET . . . . . 0.426 ' HB2' ' HB2' ' A' ' 61' ' ' GLN . 11.8 ptt? -156.3 178.93 9.74 Favored 'General case' 0 C--N 1.322 -0.608 0 CA-C-N 116.145 -0.48 . . . . 0.0 111.129 -171.6 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 39.5 m -95.73 -174.91 3.28 Favored 'General case' 0 C--N 1.324 -0.542 0 CA-C-N 116.309 -0.405 . . . . 0.0 110.965 -179.312 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 59' ' ' VAL . . . . . . . . . . . . . 16.5 t -57.67 -46.47 86.61 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.187 0 CA-C-N 116.504 -0.316 . . . . 0.0 110.878 -176.484 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 60' ' ' GLU . . . . . 0.503 ' O ' ' HG3' ' A' ' 64' ' ' ARG . 3.3 mp0 -56.66 -62.27 1.85 Allowed 'General case' 0 C--N 1.323 -0.557 0 CA-C-N 116.042 -0.527 . . . . 0.0 111.348 -176.837 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 61' ' ' GLN . . . . . 0.515 ' OE1' ' HD2' ' A' ' 64' ' ' ARG . 15.0 mm100 -60.22 -37.52 80.57 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.436 -0.347 . . . . 0.0 111.426 -179.296 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . -58.98 -51.9 56.51 Favored Glycine 0 N--CA 1.448 -0.517 0 C-N-CA 120.83 -0.7 . . . . 0.0 111.867 178.088 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 63' ' ' LEU . . . . . 0.49 ' HA ' ' HB2' ' A' ' 66' ' ' LEU . 4.0 mm? -65.81 -39.15 90.61 Favored 'General case' 0 C--N 1.324 -0.518 0 CA-C-O 120.746 0.308 . . . . 0.0 111.496 -179.834 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 64' ' ' ARG . . . . . 0.515 ' HD2' ' OE1' ' A' ' 61' ' ' GLN . 92.8 mtt180 -54.3 -43.35 71.01 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-N 116.145 -0.479 . . . . 0.0 111.566 178.332 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 65' ' ' ARG . . . . . . . . . . . . . 64.0 mtp180 -80.31 -16.67 54.09 Favored 'General case' 0 C--N 1.324 -0.513 0 CA-C-O 120.994 0.426 . . . . 0.0 111.166 178.754 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 66' ' ' LEU . . . . . 0.49 ' HB2' ' HA ' ' A' ' 63' ' ' LEU . 8.2 mt -87.08 -48.68 7.88 Favored 'General case' 0 C--N 1.321 -0.672 0 CA-C-N 115.938 -0.573 . . . . 0.0 112.387 -175.158 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 67' ' ' ILE . . . . . 0.466 ' HB ' ' OD1' ' A' ' 111' ' ' ASN . 57.8 mt -90.46 -64.8 1.1 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 N-CA-C 113.431 0.9 . . . . 0.0 113.431 -168.647 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . -113.77 -62.32 0.42 Allowed Glycine 0 N--CA 1.447 -0.619 0 C-N-CA 119.152 -1.499 . . . . 0.0 114.958 -167.303 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . 83.81 -21.92 8.72 Favored Glycine 0 N--CA 1.45 -0.427 0 N-CA-C 110.204 -1.159 . . . . 0.0 110.204 -165.512 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 70' ' ' ASN . . . . . . . . . . . . . 14.0 m120 -102.15 161.67 22.68 Favored Pre-proline 0 C--N 1.33 -0.257 0 N-CA-C 109.219 -0.66 . . . . 0.0 109.219 173.491 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 71' ' ' PRO . . . . . . . . . . . . . 24.3 Cg_exo -64.01 97.37 0.23 Allowed 'Trans proline' 0 C--N 1.348 0.515 0 C-N-CA 122.216 1.944 . . . . 0.0 112.602 179.872 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 72' ' ' VAL . . . . . . . . . . . . . 14.1 t -141.49 151.23 19.41 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.341 0 N-CA-C 107.107 -1.442 . . . . 0.0 107.107 175.027 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -103.48 125.69 50.2 Favored 'General case' 0 C--N 1.321 -0.643 0 CA-C-N 118.622 0.647 . . . . 0.0 111.952 -170.151 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 74' ' ' PHE . . . . . . . . . . . . . 24.9 p90 -109.32 123.48 49.36 Favored 'General case' 0 C--N 1.324 -0.533 0 N-CA-C 109.498 -0.556 . . . . 0.0 109.498 174.879 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 75' ' ' ARG . . . . . . . . . . . . . 39.1 ttm180 -109.59 115.89 30.74 Favored 'General case' 0 C--N 1.319 -0.751 0 CA-C-N 115.932 -0.576 . . . . 0.0 110.422 -176.635 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 76' ' ' LEU . . . . . . . . . . . . . 2.2 mm? -81.95 99.58 9.18 Favored 'General case' 0 C--N 1.325 -0.482 0 CA-C-N 115.942 -0.572 . . . . 0.0 110.223 -179.388 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 77' ' ' GLN . . . . . . . . . . . . . 79.6 mm-40 -76.49 130.89 75.69 Favored Pre-proline 0 C--N 1.321 -0.639 0 CA-C-N 116.036 -0.529 . . . . 0.0 110.062 177.368 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 78' ' ' PRO . . . . . . . . . . . . . 37.9 Cg_endo -66.26 -0.84 4.61 Favored 'Trans proline' 0 C--N 1.343 0.24 0 C-N-CA 122.817 2.345 . . . . 0.0 112.096 178.851 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 79' ' ' GLN . . . . . . . . . . . . . 45.1 mt-30 -87.01 -0.42 56.6 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-N 115.418 -0.81 . . . . 0.0 109.999 176.01 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . 90.05 33.87 8.62 Favored Glycine 0 N--CA 1.448 -0.534 0 CA-C-N 115.767 -0.651 . . . . 0.0 112.257 179.074 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 81' ' ' GLN . . . . . . . . . . . . . 16.1 mm100 -132.22 134.76 45.72 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-O 120.975 0.416 . . . . 0.0 111.309 -176.695 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 82' ' ' ILE . . . . . . . . . . . . . 34.3 mt -101.54 98.92 7.44 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.575 0 N-CA-C 109.19 -0.67 . . . . 0.0 109.19 175.008 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 83' ' ' VAL . . . . . . . . . . . . . 47.9 t -92.86 115.68 32.25 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.706 0 CA-C-O 120.837 0.351 . . . . 0.0 110.473 -176.909 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 84' ' ' LEU . . . . . . . . . . . . . 31.3 tp -86.75 117.44 25.5 Favored 'General case' 0 C--N 1.324 -0.534 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.267 178.935 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 85' ' ' SER . . . . . . . . . . . . . 19.2 m -106.54 133.36 51.33 Favored 'General case' 0 C--N 1.32 -0.717 0 CA-C-N 116.255 -0.43 . . . . 0.0 109.981 -179.322 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 86' ' ' ARG . . . . . . . . . . . . . 99.7 mtt180 -81.41 70.49 8.28 Favored 'General case' 0 C--N 1.325 -0.491 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.243 -177.796 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 87' ' ' LEU . . . . . . . . . . . . . 8.9 mp -77.11 124.71 87.27 Favored Pre-proline 0 C--N 1.325 -0.497 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.056 174.707 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 88' ' ' PRO . . . . . . . . . . . . . 62.4 Cg_endo -73.34 164.44 35.18 Favored 'Trans proline' 0 N--CA 1.461 -0.429 0 C-N-CA 122.895 2.396 . . . . 0.0 112.323 -178.998 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 89' ' ' THR . . . . . . . . . . . . . 27.4 m -66.83 104.46 1.35 Allowed 'General case' 0 C--N 1.323 -0.549 0 CA-C-N 115.803 -0.635 . . . . 0.0 110.1 176.918 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 90' ' ' ALA . . . . . . . . . . . . . . . -73.99 174.83 8.03 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.097 -0.501 . . . . 0.0 111.067 -177.027 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 91' ' ' ASN . . . . . . . . . . . . . 63.6 t30 -59.7 -44.76 93.54 Favored 'General case' 0 C--N 1.325 -0.469 0 CA-C-O 120.744 0.306 . . . . 0.0 110.715 -176.198 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 92' ' ' GLY . . . . . . . . . . . . . . . -65.11 -19.13 65.65 Favored Glycine 0 N--CA 1.452 -0.256 0 CA-C-N 115.926 -0.579 . . . . 0.0 112.626 -179.914 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 28.4 m-20 -88.22 -2.78 58.8 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-O 121.012 0.434 . . . . 0.0 110.358 178.266 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 94' ' ' GLY . . . . . . . . . . . . . . . 95.3 23.29 19.89 Favored Glycine 0 N--CA 1.448 -0.544 0 C-N-CA 120.83 -0.7 . . . . 0.0 111.813 -176.905 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 95' ' ' GLY . . . . . . . . . . . . . . . -87.41 -115.54 1.09 Allowed Glycine 0 N--CA 1.448 -0.559 0 C-N-CA 120.861 -0.685 . . . . 0.0 111.824 177.082 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 96' ' ' ALA . . . . . . . . . . . . . . . -151.62 179.69 8.17 Favored 'General case' 0 C--N 1.322 -0.599 0 CA-C-O 120.449 0.166 . . . . 0.0 110.598 -179.803 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 97' ' ' LEU . . . . . . . . . . . . . 93.9 mt -69.89 172.34 7.89 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-N 116.478 -0.328 . . . . 0.0 110.663 178.379 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 98' ' ' ALA . . . . . . . . . . . . . . . 74.68 -42.15 0.49 Allowed 'General case' 0 N--CA 1.467 0.41 0 C-N-CA 123.706 0.803 . . . . 0.0 109.988 -174.447 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 99' ' ' LEU . . . . . . . . . . . . . 96.1 mt -81.22 -4.38 55.3 Favored 'General case' 0 N--CA 1.449 -0.504 0 CA-C-N 115.872 -0.603 . . . . 0.0 109.767 171.71 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 100' ' ' ASP . . . . . . . . . . . . . 5.1 p-10 -70.5 -18.97 62.96 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 115.695 -0.684 . . . . 0.0 109.845 177.392 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 14.7 m -78.23 -2.53 38.23 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 115.533 -0.758 . . . . 0.0 111.035 179.386 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 102' ' ' LEU . . . . . 0.407 ' O ' ' HG ' ' A' ' 102' ' ' LEU . 33.7 tp -80.71 7.63 9.83 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 121.387 0.613 . . . . 0.0 110.228 179.274 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 103' ' ' THR . . . . . . . . . . . . . 12.1 t -75.59 -14.33 60.38 Favored 'General case' 0 C--N 1.325 -0.464 0 CA-C-N 115.625 -0.716 . . . . 0.0 110.339 176.735 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 104' ' ' VAL . . . . . . . . . . . . . 28.0 m -76.27 147.96 7.44 Favored 'Isoleucine or valine' 0 C--O 1.233 0.223 0 CA-C-N 116.211 -0.45 . . . . 0.0 109.966 176.956 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 105' ' ' LEU . . . . . . . . . . . . . 95.5 mt 54.72 49.66 17.52 Favored 'General case' 0 C--O 1.234 0.266 0 CA-C-O 121.244 0.545 . . . . 0.0 109.868 -175.441 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 106' ' ' GLY . . . . . . . . . . . . . . . -72.3 90.73 0.53 Allowed Glycine 0 N--CA 1.447 -0.596 0 CA-C-N 115.407 -0.815 . . . . 0.0 113.043 -174.8 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 107' ' ' ALA . . . . . . . . . . . . . . . -87.95 143.81 26.9 Favored 'General case' 0 C--N 1.32 -0.689 0 N-CA-C 109.946 -0.39 . . . . 0.0 109.946 175.979 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 108' ' ' GLY . . . . . . . . . . . . . . . -82.97 2.86 86.02 Favored Glycine 0 N--CA 1.449 -0.498 0 C-N-CA 120.964 -0.636 . . . . 0.0 112.119 179.393 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 109' ' ' GLY . . . . . . . . . . . . . . . -80.54 97.21 1.7 Allowed Glycine 0 N--CA 1.442 -0.926 0 C-N-CA 120.527 -0.844 . . . . 0.0 111.876 178.892 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 110' ' ' ASN . . . . . 0.506 ' O ' ' HG2' ' A' ' 64' ' ' ARG . 5.8 p-10 -142.72 136.51 29.03 Favored 'General case' 0 C--N 1.319 -0.726 0 N-CA-C 108.412 -0.959 . . . . 0.0 108.412 178.046 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 111' ' ' ASN . . . . . 0.483 ' HA ' ' HG2' ' A' ' 64' ' ' ARG . 64.7 m-80 -80.81 50.65 1.39 Allowed 'General case' 0 C--N 1.325 -0.498 0 CA-C-O 120.717 0.294 . . . . 0.0 111.734 -175.072 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 112' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.249 1.065 0 CA-C-O 118.47 -0.776 . . . . 0.0 110.019 179.189 . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 37.0 t . . . . . 0 N--CA 1.477 0.897 0 CA-C-O 120.87 0.366 . . . . 0.0 110.347 . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' A' A ' 7' ' ' MET . . . . . . . . . . . . . 0.3 OUTLIER -114.05 95.1 5.13 Favored 'General case' 0 C--N 1.326 -0.44 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.493 177.837 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -63.69 -24.34 67.74 Favored 'General case' 0 C--N 1.326 -0.454 0 CA-C-O 121.115 0.483 . . . . 0.0 110.863 178.332 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 9' ' ' GLN . . . . . . . . . . . . . 13.9 pt20 -68.06 -14.88 63.32 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 115.766 -0.652 . . . . 0.0 111.118 178.994 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -99.66 4.14 45.49 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-O 121.112 0.482 . . . . 0.0 110.607 179.52 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -114.62 99.46 7.55 Favored 'General case' 0 C--N 1.323 -0.57 0 CA-C-N 115.916 -0.584 . . . . 0.0 110.905 -177.5 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 34.8 tt0 -79.11 99.63 7.03 Favored 'General case' 0 C--N 1.325 -0.492 0 CA-C-O 121.037 0.446 . . . . 0.0 109.991 177.381 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 6.1 pt20 -127.2 140.64 52.1 Favored 'General case' 0 C--N 1.319 -0.75 0 CA-C-N 116.077 -0.51 . . . . 0.0 110.681 179.761 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 14' ' ' LYS . . . . . 0.446 ' O ' ' HA ' ' A' ' 56' ' ' SER . 34.0 mmtp -112.22 154.28 25.81 Favored 'General case' 0 C--N 1.323 -0.569 0 CA-C-N 115.853 -0.612 . . . . 0.0 109.702 -179.143 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 15' ' ' ASN . . . . . . . . . . . . . 13.3 t-20 -87.04 106.48 17.87 Favored 'General case' 0 C--N 1.322 -0.607 0 CA-C-N 116.343 -0.389 . . . . 0.0 110.122 -179.068 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 16' ' ' PHE . . . . . 0.476 ' O ' ' HA ' ' A' ' 54' ' ' ASN . 33.1 m-85 -102.42 135.9 43.21 Favored 'General case' 0 C--N 1.325 -0.47 0 CA-C-N 116.371 -0.377 . . . . 0.0 110.747 -178.02 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 48.7 m-80 -128.81 89.89 2.96 Favored 'General case' 0 C--N 1.325 -0.462 0 CA-C-O 121.213 0.53 . . . . 0.0 109.686 177.287 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 18' ' ' ILE . . . . . . . . . . . . . 19.6 mm -117.78 105.61 18.31 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.698 0 CA-C-N 115.807 -0.633 . . . . 0.0 110.436 -175.66 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -69.68 147.78 50.14 Favored 'General case' 0 C--N 1.323 -0.575 0 N-CA-C 108.295 -1.002 . . . . 0.0 108.295 170.945 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -65.62 102.97 0.79 Allowed 'General case' 0 C--N 1.33 -0.257 0 CA-C-O 121.476 0.655 . . . . 0.0 110.897 -173.295 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 21' ' ' GLN . . . . . . . . . . . . . 77.7 mt-30 -105.64 169.68 6.73 Favored Pre-proline 0 C--N 1.32 -0.707 0 CA-C-N 114.986 -1.007 . . . . 0.0 110.175 177.611 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 22' ' ' PRO . . . . . . . . . . . . . 53.1 Cg_exo -56.51 143.45 87.85 Favored 'Trans proline' 0 C--N 1.345 0.359 0 C-N-CA 121.855 1.704 . . . . 0.0 110.84 168.356 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -53.68 -46.47 70.67 Favored 'General case' 0 C--N 1.323 -0.544 0 N-CA-C 112.409 0.522 . . . . 0.0 112.409 -168.141 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 49.8 mt-30 -56.73 -44.02 81.23 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.416 -0.356 . . . . 0.0 111.844 -179.126 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 25' ' ' SER . . . . . 0.433 ' O ' ' HG2' ' A' ' 29' ' ' ARG . 6.3 p -83.57 -21.02 32.76 Favored 'General case' 0 C--N 1.324 -0.53 0 C-N-CA 121.051 -0.26 . . . . 0.0 111.268 -177.837 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -59.38 -57.11 14.44 Favored 'General case' 0 C--O 1.234 0.241 0 CA-C-O 120.901 0.381 . . . . 0.0 111.033 178.543 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 27' ' ' MET . . . . . 0.676 ' HB2' ' CG1' ' A' ' 38' ' ' VAL . 45.3 mtt -72.78 -24.55 60.95 Favored 'General case' 0 CA--C 1.507 -0.674 0 N-CA-C 109.918 -0.401 . . . . 0.0 109.918 177.811 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 28' ' ' LEU . . . . . 0.546 ' O ' ' HG3' ' A' ' 32' ' ' GLU . 64.6 tp -56.68 -52.36 65.24 Favored 'General case' 0 C--N 1.323 -0.569 0 N-CA-C 109.031 -0.729 . . . . 0.0 109.031 174.663 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 29' ' ' ARG . . . . . 0.472 ' HD3' ' OE1' ' A' ' 32' ' ' GLU . 23.1 mmt180 -63.48 -45.07 92.43 Favored 'General case' 0 C--N 1.326 -0.443 0 CA-C-N 116.324 -0.398 . . . . 0.0 111.703 -178.723 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 30' ' ' PHE . . . . . 0.467 ' CE2' HD21 ' A' ' 63' ' ' LEU . 28.0 t80 -65.87 -54.31 28.24 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-O 121.131 0.491 . . . . 0.0 111.113 178.901 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 31' ' ' ALA . . . . . 0.452 ' HA ' ' HB3' ' A' ' 34' ' ' ALA . . . -70.02 -18.01 63.29 Favored 'General case' 0 C--N 1.322 -0.62 0 CA-C-N 116.054 -0.521 . . . . 0.0 111.16 -175.79 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 32' ' ' GLU . . . . . 0.546 ' HG3' ' O ' ' A' ' 28' ' ' LEU . 11.5 mt-10 -54.06 -41.94 68.7 Favored 'General case' 0 N--CA 1.471 0.622 0 CA-C-O 120.766 0.317 . . . . 0.0 111.211 173.48 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 33' ' ' GLN . . . . . . . . . . . . . 28.9 pt20 -90.39 -10.47 43.79 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-O 120.732 0.301 . . . . 0.0 111.162 -178.983 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 34' ' ' ALA . . . . . 0.452 ' HB3' ' HA ' ' A' ' 31' ' ' ALA . . . -94.84 -30.1 14.38 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.501 -0.318 . . . . 0.0 111.749 -179.188 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 107.33 29.24 4.58 Favored Glycine 0 CA--C 1.519 0.31 0 C-N-CA 120.999 -0.62 . . . . 0.0 112.73 178.677 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 36' ' ' MET . . . . . 0.422 ' HB2' ' HB1' ' A' ' 31' ' ' ALA . 67.3 mtm -138.31 175.14 9.83 Favored 'General case' 0 C--N 1.327 -0.386 0 N-CA-C 110.401 -0.222 . . . . 0.0 110.401 -177.036 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 37' ' ' GLN . . . . . . . . . . . . . 9.3 tt0 -147.78 162.83 38.43 Favored 'General case' 0 C--N 1.327 -0.407 0 N-CA-C 109.569 -0.53 . . . . 0.0 109.569 177.569 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 38' ' ' VAL . . . . . 0.676 ' CG1' ' HB2' ' A' ' 27' ' ' MET . 21.8 m -75.92 148.59 7.17 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.361 0 CA-C-O 120.969 0.414 . . . . 0.0 111.455 -177.633 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 39' ' ' PHE . . . . . . . . . . . . . 72.9 t80 -139.8 145.66 38.45 Favored 'General case' 0 C--N 1.323 -0.573 0 CA-C-N 115.809 -0.632 . . . . 0.0 109.882 174.394 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 40' ' ' PHE . . . . . . . . . . . . . 37.8 p90 -153.08 153.95 33.86 Favored 'General case' 0 C--N 1.319 -0.721 0 N-CA-C 109.073 -0.714 . . . . 0.0 109.073 179.309 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 23.8 m-20 -90.48 -164.83 1.23 Allowed 'General case' 0 C--N 1.323 -0.556 0 N-CA-C 109.663 -0.495 . . . . 0.0 109.663 178.254 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 35.3 mt-10 -71.8 88.48 1.01 Allowed 'General case' 0 C--N 1.326 -0.422 0 CA-C-O 121.364 0.602 . . . . 0.0 110.439 179.196 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 43' ' ' VAL . . . . . . . . . . . . . 5.9 p -146.37 134.23 15.39 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.573 0 CA-C-N 115.422 -0.808 . . . . 0.0 109.644 -179.795 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 40.0 ttpt -73.62 107.81 6.09 Favored 'General case' 0 C--N 1.324 -0.509 0 CA-C-O 121.129 0.49 . . . . 0.0 110.701 -178.324 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 84.5 mt -88.59 98.17 11.51 Favored 'General case' 0 C--N 1.322 -0.593 0 CA-C-N 115.772 -0.649 . . . . 0.0 109.284 176.725 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 30.8 t70 -127.32 111.58 14.07 Favored 'General case' 0 C--N 1.321 -0.634 0 CA-C-N 115.868 -0.606 . . . . 0.0 110.443 -176.391 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 83.46 21.74 57.76 Favored Glycine 0 N--CA 1.448 -0.508 0 C-N-CA 120.836 -0.697 . . . . 0.0 111.786 -178.543 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 48' ' ' MET . . . . . . . . . . . . . 25.9 mmt -87.03 119.12 26.9 Favored 'General case' 0 C--N 1.326 -0.429 0 N-CA-C 110.195 -0.298 . . . . 0.0 110.195 -178.455 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -146.27 173.88 11.85 Favored 'General case' 0 C--N 1.322 -0.6 0 CA-C-N 116.331 -0.395 . . . . 0.0 110.838 -179.049 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -105.13 177.67 4.78 Favored 'General case' 0 C--N 1.321 -0.632 0 CA-C-O 121.326 0.584 . . . . 0.0 111.421 -176.772 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -99.68 171.16 8.08 Favored 'General case' 0 C--N 1.322 -0.599 0 CA-C-N 115.444 -0.798 . . . . 0.0 110.236 178.899 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -82.08 89.77 6.48 Favored 'General case' 0 C--N 1.325 -0.495 0 CA-C-O 120.967 0.413 . . . . 0.0 110.471 179.767 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 31.9 tp -97.65 120.69 38.49 Favored 'General case' 0 C--N 1.322 -0.609 0 CA-C-N 116.038 -0.528 . . . . 0.0 110.892 -179.965 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 54' ' ' ASN . . . . . 0.476 ' HA ' ' O ' ' A' ' 16' ' ' PHE . 3.0 p-10 -153.67 98.76 2.24 Favored 'General case' 0 C--N 1.32 -0.7 0 CA-C-O 121.553 0.692 . . . . 0.0 109.745 173.369 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . 179.3 178.85 48.58 Favored Glycine 0 N--CA 1.443 -0.861 0 CA-C-N 115.609 -0.723 . . . . 0.0 111.754 -176.632 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 56' ' ' SER . . . . . 0.446 ' HA ' ' O ' ' A' ' 14' ' ' LYS . 14.6 m -103.75 115.71 30.97 Favored 'General case' 0 C--N 1.319 -0.72 0 CA-C-O 120.723 0.297 . . . . 0.0 110.329 -179.645 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 57' ' ' MET . . . . . . . . . . . . . 20.1 ptp -157.88 173.15 17.23 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 116.399 -0.364 . . . . 0.0 110.497 -178.097 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 58' ' ' SER . . . . . 0.49 ' HB2' ' OE1' ' A' ' 61' ' ' GLN . 16.3 m -83.04 177.72 8.47 Favored 'General case' 0 C--N 1.326 -0.422 0 N-CA-C 110.413 -0.217 . . . . 0.0 110.413 -178.967 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 59' ' ' VAL . . . . . . . . . . . . . 24.7 t -61.68 -44.15 98.25 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.338 0 CA-C-O 120.746 0.308 . . . . 0.0 110.723 -177.811 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 60' ' ' GLU . . . . . 0.599 ' HB3' ' NH1' ' A' ' 64' ' ' ARG . 45.6 mt-10 -57.68 -56.35 23.01 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.046 -0.524 . . . . 0.0 111.577 179.3 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 61' ' ' GLN . . . . . 0.49 ' OE1' ' HB2' ' A' ' 58' ' ' SER . 24.6 mp0 -61.14 -42.29 98.27 Favored 'General case' 0 C--N 1.323 -0.553 0 N-CA-C 109.973 -0.38 . . . . 0.0 109.973 178.384 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 62' ' ' GLY . . . . . 0.544 ' O ' ' HB2' ' A' ' 66' ' ' LEU . . . -55.81 -58.69 12.83 Favored Glycine 0 C--O 1.219 -0.796 0 CA-C-N 115.674 -0.694 . . . . 0.0 112.611 -179.391 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 63' ' ' LEU . . . . . 0.476 ' HG ' ' CE2' ' A' ' 74' ' ' PHE . 4.2 mm? -60.87 -48.15 83.13 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-N 116.859 0.33 . . . . 0.0 111.809 -177.354 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 64' ' ' ARG . . . . . 0.599 ' NH1' ' HB3' ' A' ' 60' ' ' GLU . 66.3 mtt180 -62.5 -36.23 81.9 Favored 'General case' 0 C--N 1.325 -0.499 0 CA-C-N 116.562 -0.29 . . . . 0.0 110.868 -176.76 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 65' ' ' ARG . . . . . 0.496 ' HA ' ' HA2' ' A' ' 69' ' ' GLY . 8.3 tpp180 -78.64 -38.49 39.49 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-O 120.999 0.428 . . . . 0.0 110.775 177.699 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 66' ' ' LEU . . . . . 0.544 ' HB2' ' O ' ' A' ' 62' ' ' GLY . 5.8 tt -59.81 -48.84 80.07 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-N 115.257 -0.883 . . . . 0.0 110.926 -177.57 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 67' ' ' ILE . . . . . 0.408 HG13 ' O ' ' A' ' 63' ' ' LEU . 18.1 mt -77.78 -64.37 0.91 Allowed 'Isoleucine or valine' 0 C--N 1.322 -0.598 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.38 -173.293 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . -116.3 -44.71 0.6 Allowed Glycine 0 N--CA 1.451 -0.353 0 C-N-CA 120.764 -0.732 . . . . 0.0 113.9 -177.251 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 69' ' ' GLY . . . . . 0.496 ' HA2' ' HA ' ' A' ' 65' ' ' ARG . . . 105.25 -2.36 40.35 Favored Glycine 0 N--CA 1.45 -0.412 0 N-CA-C 111.063 -0.815 . . . . 0.0 111.063 -167.724 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 70' ' ' ASN . . . . . . . . . . . . . 40.8 m-80 -101.41 150.79 37.51 Favored Pre-proline 0 C--N 1.329 -0.319 0 CA-C-N 115.514 -0.343 . . . . 0.0 110.496 -179.741 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 71' ' ' PRO . . . . . . . . . . . . . 37.4 Cg_exo -61.37 120.37 8.0 Favored 'Trans proline' 0 C--N 1.344 0.324 0 C-N-CA 122.662 2.241 . . . . 0.0 110.83 172.356 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 72' ' ' VAL . . . . . 0.618 HG11 ' ND2' ' A' ' 111' ' ' ASN . 9.1 p -151.39 161.62 3.28 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 CA-C-N 116.58 -0.282 . . . . 0.0 110.266 -171.457 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -110.99 128.07 55.72 Favored 'General case' 0 N--CA 1.447 -0.576 0 CA-C-O 120.862 0.363 . . . . 0.0 110.061 -177.641 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 74' ' ' PHE . . . . . 0.506 ' HZ ' ' HA ' ' A' ' 60' ' ' GLU . 31.0 p90 -133.45 138.24 46.1 Favored 'General case' 0 C--N 1.317 -0.824 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.125 -178.071 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 75' ' ' ARG . . . . . 0.574 ' NH2' HD21 ' A' ' 87' ' ' LEU . 38.9 mmt180 -87.02 133.77 33.55 Favored 'General case' 0 C--N 1.322 -0.607 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.368 -177.93 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 76' ' ' LEU . . . . . . . . . . . . . 96.0 mt -118.68 111.9 19.11 Favored 'General case' 0 C--N 1.32 -0.692 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.231 177.322 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 77' ' ' GLN . . . . . . . . . . . . . 54.2 mt-30 -104.57 114.25 64.24 Favored Pre-proline 0 C--N 1.32 -0.711 0 N-CA-C 109.298 -0.63 . . . . 0.0 109.298 170.598 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 78' ' ' PRO . . . . . . . . . . . . . 79.2 Cg_exo -42.07 -46.16 7.16 Favored 'Trans proline' 0 C--N 1.351 0.68 0 C-N-CA 123.861 3.041 . . . . 0.0 113.915 -171.341 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 79' ' ' GLN . . . . . . . . . . . . . 12.1 pt20 -118.16 29.12 7.96 Favored 'General case' 0 C--N 1.325 -0.464 0 CA-C-O 120.99 0.424 . . . . 0.0 110.654 179.033 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . -124.51 -111.24 1.9 Allowed Glycine 0 N--CA 1.443 -0.882 0 C-N-CA 120.732 -0.747 . . . . 0.0 112.193 -178.964 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 81' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -143.0 169.83 16.82 Favored 'General case' 0 C--N 1.322 -0.603 0 CA-C-O 121.12 0.486 . . . . 0.0 111.712 -171.959 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 82' ' ' ILE . . . . . . . . . . . . . 53.0 mt -115.93 122.35 69.37 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 115.154 -0.93 . . . . 0.0 109.742 176.354 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 83' ' ' VAL . . . . . . . . . . . . . 16.6 m -128.48 142.38 44.04 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.508 0 CA-C-O 120.892 0.377 . . . . 0.0 110.576 176.838 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 84' ' ' LEU . . . . . . . . . . . . . 21.1 tp -102.45 141.75 34.76 Favored 'General case' 0 C--N 1.321 -0.631 0 CA-C-N 116.011 -0.541 . . . . 0.0 110.077 -176.11 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 85' ' ' SER . . . . . . . . . . . . . 23.8 m -152.27 145.56 24.72 Favored 'General case' 0 C--O 1.233 0.231 0 CA-C-O 121.127 0.489 . . . . 0.0 111.126 -177.601 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 86' ' ' ARG . . . . . . . . . . . . . 15.4 mmm180 -88.74 82.85 6.74 Favored 'General case' 0 C--N 1.323 -0.561 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.506 174.452 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 87' ' ' LEU . . . . . 0.574 HD21 ' NH2' ' A' ' 75' ' ' ARG . 8.1 mp -74.39 121.7 85.82 Favored Pre-proline 0 C--N 1.326 -0.42 0 CA-C-O 120.884 0.374 . . . . 0.0 110.35 177.189 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 88' ' ' PRO . . . . . . . . . . . . . 89.0 Cg_endo -85.94 134.97 4.61 Favored 'Trans proline' 0 N--CA 1.457 -0.642 0 C-N-CA 122.859 2.373 . . . . 0.0 113.416 -176.127 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 89' ' ' THR . . . . . . . . . . . . . 14.6 t -83.76 147.49 27.58 Favored 'General case' 0 C--N 1.322 -0.627 0 N-CA-C 109.1 -0.704 . . . . 0.0 109.1 172.245 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 90' ' ' ALA . . . . . 0.541 ' HB1' ' HB3' ' A' ' 93' ' ' ASP . . . -74.52 109.5 8.05 Favored 'General case' 0 C--N 1.32 -0.686 0 CA-C-O 121.018 0.437 . . . . 0.0 111.369 -175.888 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 91' ' ' ASN . . . . . . . . . . . . . 9.9 t30 -78.52 -43.64 26.32 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-N 115.898 -0.592 . . . . 0.0 111.005 -177.217 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 92' ' ' GLY . . . . . . . . . . . . . . . -73.83 -35.51 54.4 Favored Glycine 0 N--CA 1.452 -0.271 0 C-N-CA 120.859 -0.686 . . . . 0.0 111.977 -178.659 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 93' ' ' ASP . . . . . 0.541 ' HB3' ' HB1' ' A' ' 90' ' ' ALA . 7.9 t70 -68.57 -26.18 65.26 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-O 121.123 0.487 . . . . 0.0 110.634 177.176 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 94' ' ' GLY . . . . . . . . . . . . . . . 96.97 -28.31 14.36 Favored Glycine 0 N--CA 1.449 -0.48 0 C-N-CA 121.004 -0.617 . . . . 0.0 112.409 -178.611 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 95' ' ' GLY . . . . . . . . . . . . . . . 115.81 66.8 0.41 Allowed Glycine 0 N--CA 1.445 -0.724 0 C-N-CA 120.369 -0.92 . . . . 0.0 112.664 176.62 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 96' ' ' ALA . . . . . 0.419 ' C ' ' H ' ' A' ' 98' ' ' ALA . . . -64.21 170.52 3.66 Favored 'General case' 0 C--N 1.325 -0.48 0 CA-C-O 120.733 0.301 . . . . 0.0 110.52 174.179 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 97' ' ' LEU . . . . . 0.48 ' H ' ' HG ' ' A' ' 97' ' ' LEU . 1.5 pp -74.18 38.47 0.11 Allowed 'General case' 0 CA--C 1.534 0.339 0 CA-C-O 121.483 0.658 . . . . 0.0 112.372 -176.157 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 98' ' ' ALA . . . . . 0.419 ' H ' ' C ' ' A' ' 96' ' ' ALA . . . -129.17 -13.65 4.45 Favored 'General case' 0 C--N 1.321 -0.669 0 CA-C-N 115.558 -0.746 . . . . 0.0 109.501 172.832 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 99' ' ' LEU . . . . . . . . . . . . . 2.6 mm? -118.59 -9.22 10.31 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 115.522 -0.763 . . . . 0.0 110.394 -179.189 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 100' ' ' ASP . . . . . . . . . . . . . 9.0 p-10 -66.53 -36.6 83.08 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.634 -176.318 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 15.0 m -62.06 -22.93 66.17 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.753 176.394 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 102' ' ' LEU . . . . . 0.426 HD13 ' HB3' ' A' ' 87' ' ' LEU . 61.5 mt -94.24 -2.07 52.99 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 115.996 -0.547 . . . . 0.0 110.487 -178.854 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 103' ' ' THR . . . . . . . . . . . . . 13.5 m -94.88 -52.78 4.1 Favored 'General case' 0 C--N 1.326 -0.44 0 CA-C-N 116.057 -0.52 . . . . 0.0 110.3 178.966 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 104' ' ' VAL . . . . . . . . . . . . . 12.2 m -60.34 103.94 0.2 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 115.476 -0.784 . . . . 0.0 111.605 -177.855 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 105' ' ' LEU . . . . . 0.408 HD23 HH11 ' A' ' 64' ' ' ARG . 20.8 tp 57.34 32.02 21.09 Favored 'General case' 0 CA--C 1.532 0.284 0 CA-C-N 115.198 -0.91 . . . . 0.0 110.406 -176.726 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 106' ' ' GLY . . . . . . . . . . . . . . . -120.78 -36.39 0.78 Allowed Glycine 0 N--CA 1.449 -0.458 0 CA-C-N 115.464 -0.789 . . . . 0.0 111.931 178.697 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 107' ' ' ALA . . . . . . . . . . . . . . . -71.76 127.49 32.73 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-O 120.668 0.271 . . . . 0.0 110.666 179.265 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 108' ' ' GLY . . . . . . . . . . . . . . . 172.13 -164.5 37.0 Favored Glycine 0 N--CA 1.446 -0.657 0 C-N-CA 120.758 -0.734 . . . . 0.0 112.134 -178.532 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 109' ' ' GLY . . . . . . . . . . . . . . . -100.55 -174.91 29.76 Favored Glycine 0 N--CA 1.446 -0.7 0 C-N-CA 120.887 -0.673 . . . . 0.0 112.766 -179.284 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 110' ' ' ASN . . . . . . . . . . . . . 92.0 m-20 -72.12 134.52 45.81 Favored 'General case' 0 C--N 1.325 -0.496 0 CA-C-O 120.872 0.367 . . . . 0.0 110.408 179.353 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 111' ' ' ASN . . . . . 0.618 ' ND2' HG11 ' A' ' 72' ' ' VAL . 38.0 m-20 -65.21 -33.54 76.24 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 115.789 -0.641 . . . . 0.0 110.778 176.719 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 112' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.248 1.014 0 CA-C-O 118.741 -0.647 . . . . 0.0 110.175 179.415 . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 34.7 m . . . . . 0 N--CA 1.477 0.901 0 CA-C-O 121.074 0.464 . . . . 0.0 110.566 . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' A' A ' 7' ' ' MET . . . . . . . . . . . . . 27.3 ptt? -66.18 -28.14 68.54 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.072 -0.513 . . . . 0.0 111.347 -176.794 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -69.35 -33.58 73.32 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 121.008 0.432 . . . . 0.0 110.719 179.761 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 9' ' ' GLN . . . . . . . . . . . . . 85.0 mm-40 -81.71 -35.15 30.11 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 116.103 -0.499 . . . . 0.0 110.182 177.372 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -63.97 -45.04 90.86 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 115.86 -0.609 . . . . 0.0 110.303 176.606 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -94.37 60.44 2.68 Favored 'General case' 0 C--N 1.324 -0.535 0 CA-C-N 116.004 -0.544 . . . . 0.0 109.847 175.737 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 3.8 pt20 -64.97 140.38 58.86 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-N 115.383 -0.826 . . . . 0.0 111.248 -176.748 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 51.9 mt-30 -119.3 122.38 41.75 Favored 'General case' 0 C--N 1.324 -0.525 0 CA-C-N 115.905 -0.589 . . . . 0.0 110.656 -178.843 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 14' ' ' LYS . . . . . 0.532 ' O ' ' HA ' ' A' ' 56' ' ' SER . 44.1 mmtm -109.54 142.96 39.87 Favored 'General case' 0 C--N 1.323 -0.573 0 N-CA-C 109.534 -0.543 . . . . 0.0 109.534 175.439 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 15' ' ' ASN . . . . . 0.411 ' HA ' ' HA ' ' A' ' 56' ' ' SER . 47.8 t30 -80.41 98.97 7.74 Favored 'General case' 0 C--N 1.325 -0.472 0 CA-C-O 121.113 0.482 . . . . 0.0 110.529 -178.03 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 16' ' ' PHE . . . . . . . . . . . . . 75.7 m-85 -100.13 140.66 34.04 Favored 'General case' 0 C--N 1.319 -0.751 0 CA-C-N 115.756 -0.656 . . . . 0.0 109.617 178.557 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 9.1 p30 -147.88 117.92 7.24 Favored 'General case' 0 C--N 1.319 -0.724 0 CA-C-O 121.306 0.574 . . . . 0.0 109.52 176.123 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 18' ' ' ILE . . . . . 0.535 HD12 HD11 ' A' ' 66' ' ' LEU . 18.1 mt -139.24 124.17 21.05 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.586 0 CA-C-N 115.837 -0.619 . . . . 0.0 109.923 -175.875 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -70.54 160.01 33.26 Favored 'General case' 0 C--N 1.328 -0.36 0 N-CA-C 109.566 -0.531 . . . . 0.0 109.566 175.851 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -67.07 104.11 1.34 Allowed 'General case' 0 C--N 1.331 -0.233 0 CA-C-O 121.522 0.677 . . . . 0.0 110.626 -176.502 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 21' ' ' GLN . . . . . . . . . . . . . 70.3 mt-30 -105.67 174.82 2.4 Favored Pre-proline 0 C--N 1.32 -0.688 0 CA-C-N 114.82 -1.082 . . . . 0.0 109.631 175.741 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 22' ' ' PRO . . . . . . . . . . . . . 32.5 Cg_exo -59.37 135.88 68.16 Favored 'Trans proline' 0 N--CA 1.462 -0.381 0 C-N-CA 121.54 1.493 . . . . 0.0 109.489 165.193 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 23' ' ' LEU . . . . . 0.406 ' HB2' ' HB3' ' A' ' 48' ' ' MET . 0.5 OUTLIER -54.99 -46.81 75.18 Favored 'General case' 0 C--N 1.326 -0.434 0 N-CA-C 112.809 0.67 . . . . 0.0 112.809 -165.827 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 76.5 mt-30 -70.58 -27.13 63.88 Favored 'General case' 0 C--N 1.325 -0.477 0 CA-C-O 120.806 0.336 . . . . 0.0 111.218 -178.668 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 19.9 m -80.97 -25.12 37.55 Favored 'General case' 0 C--N 1.326 -0.444 0 CA-C-O 121.188 0.518 . . . . 0.0 110.347 177.142 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -61.84 -51.99 66.0 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 115.648 -0.706 . . . . 0.0 110.932 178.632 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 27' ' ' MET . . . . . 0.657 ' HB2' ' CG2' ' A' ' 38' ' ' VAL . 15.4 mmt -75.43 -16.24 60.36 Favored 'General case' 0 C--N 1.323 -0.572 0 CA-C-N 115.572 -0.74 . . . . 0.0 110.391 -178.639 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 28' ' ' LEU . . . . . 0.432 ' O ' ' HB3' ' A' ' 32' ' ' GLU . 8.7 tt -61.44 -41.8 97.75 Favored 'General case' 0 C--N 1.321 -0.653 0 N-CA-C 108.056 -1.09 . . . . 0.0 108.056 171.453 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 29' ' ' ARG . . . . . 0.447 ' O ' ' HG2' ' A' ' 32' ' ' GLU . 16.5 mmm180 -72.14 -46.84 54.91 Favored 'General case' 0 C--N 1.331 -0.21 0 CA-C-N 115.624 -0.716 . . . . 0.0 111.586 179.363 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 30' ' ' PHE . . . . . 0.406 ' CE2' HD21 ' A' ' 63' ' ' LEU . 21.3 t80 -68.31 -53.98 20.56 Favored 'General case' 0 C--N 1.323 -0.551 0 CA-C-O 121.349 0.595 . . . . 0.0 111.452 -179.858 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -76.02 -18.2 59.36 Favored 'General case' 0 C--N 1.32 -0.691 0 CA-C-N 115.899 -0.592 . . . . 0.0 112.082 -170.054 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 32' ' ' GLU . . . . . 0.447 ' HG2' ' O ' ' A' ' 29' ' ' ARG . 13.7 pt-20 -66.4 -25.6 66.85 Favored 'General case' 0 C--N 1.327 -0.383 0 C-N-CA 119.888 -0.725 . . . . 0.0 109.739 176.377 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 33' ' ' GLN . . . . . . . . . . . . . 25.6 mt-30 -90.12 -13.85 34.89 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 115.737 -0.665 . . . . 0.0 110.502 177.421 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -102.07 -10.95 19.25 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.829 179.305 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 85.85 37.94 9.02 Favored Glycine 0 CA--C 1.517 0.213 0 C-N-CA 121.056 -0.592 . . . . 0.0 112.633 179.661 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 36' ' ' MET . . . . . . . . . . . . . 73.2 mtm -145.9 175.13 10.66 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-O 120.731 0.3 . . . . 0.0 110.451 -178.495 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 37' ' ' GLN . . . . . . . . . . . . . 51.9 tt0 -153.94 161.22 42.16 Favored 'General case' 0 C--N 1.326 -0.424 0 N-CA-C 108.996 -0.742 . . . . 0.0 108.996 177.833 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 38' ' ' VAL . . . . . 0.657 ' CG2' ' HB2' ' A' ' 27' ' ' MET . 39.4 t -76.22 127.01 37.48 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-O 120.667 0.27 . . . . 0.0 110.431 -176.613 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 39' ' ' PHE . . . . . 0.41 ' HB3' ' CG1' ' A' ' 83' ' ' VAL . 43.1 t80 -115.97 124.57 50.88 Favored 'General case' 0 N--CA 1.447 -0.594 0 N-CA-C 109.579 -0.526 . . . . 0.0 109.579 177.946 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 40' ' ' PHE . . . . . . . . . . . . . 31.7 p90 -135.77 146.2 47.36 Favored 'General case' 0 C--N 1.318 -0.8 0 CA-C-N 115.78 -0.646 . . . . 0.0 110.382 -175.038 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 29.2 t70 -130.88 -68.06 0.69 Allowed 'General case' 0 C--N 1.322 -0.591 0 CA-C-N 116.418 -0.355 . . . . 0.0 110.546 179.991 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 47.8 mt-10 -103.27 89.64 3.46 Favored 'General case' 0 C--N 1.323 -0.568 0 CA-C-O 120.953 0.406 . . . . 0.0 110.607 177.594 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 43' ' ' VAL . . . . . . . . . . . . . 7.5 p -150.13 135.63 10.95 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.352 0 CA-C-N 115.982 -0.553 . . . . 0.0 110.409 -179.713 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 37.6 ttpt -150.96 94.23 2.04 Favored 'General case' 0 C--N 1.326 -0.45 0 CA-C-O 120.919 0.39 . . . . 0.0 110.198 176.909 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 45' ' ' LEU . . . . . 0.547 ' O ' ' HG3' ' A' ' 48' ' ' MET . 54.4 tp -143.29 99.61 3.47 Favored 'General case' 0 C--N 1.32 -0.682 0 CA-C-N 115.996 -0.547 . . . . 0.0 110.103 -179.888 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 26.1 t70 -75.36 109.96 9.32 Favored 'General case' 0 C--N 1.319 -0.738 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.328 178.522 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 123.27 21.49 2.51 Favored Glycine 0 N--CA 1.447 -0.625 0 CA-C-N 115.759 -0.655 . . . . 0.0 112.031 -177.288 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 48' ' ' MET . . . . . 0.547 ' HG3' ' O ' ' A' ' 45' ' ' LEU . 67.5 mtm -67.74 119.52 12.6 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 121.101 0.477 . . . . 0.0 110.669 177.552 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 18.2 pt20 -138.01 154.36 49.33 Favored 'General case' 0 C--N 1.321 -0.648 0 CA-C-N 115.964 -0.562 . . . . 0.0 110.328 -177.927 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -88.3 148.76 24.15 Favored 'General case' 0 C--N 1.321 -0.633 0 CA-C-N 115.815 -0.63 . . . . 0.0 110.675 179.481 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -81.79 166.18 20.24 Favored 'General case' 0 C--N 1.322 -0.603 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.467 177.344 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -68.85 89.99 0.41 Allowed 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 121.328 0.585 . . . . 0.0 110.471 179.032 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 1.9 tm? -85.12 115.23 22.8 Favored 'General case' 0 C--N 1.32 -0.68 0 CA-C-N 115.357 -0.838 . . . . 0.0 110.072 -176.56 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 54' ' ' ASN . . . . . . . . . . . . . 6.2 p30 -160.34 100.0 1.33 Allowed 'General case' 0 C--N 1.328 -0.367 0 CA-C-O 121.352 0.596 . . . . 0.0 110.771 176.423 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . 178.63 154.71 13.11 Favored Glycine 0 N--CA 1.447 -0.567 0 C-N-CA 120.391 -0.909 . . . . 0.0 112.719 179.085 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 56' ' ' SER . . . . . 0.532 ' HA ' ' O ' ' A' ' 14' ' ' LYS . 63.9 p -90.09 101.79 14.51 Favored 'General case' 0 C--N 1.324 -0.514 0 N-CA-C 109.538 -0.542 . . . . 0.0 109.538 174.24 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 57' ' ' MET . . . . . . . . . . . . . 11.5 ptt? -151.15 -173.94 4.65 Favored 'General case' 0 C--N 1.321 -0.658 0 CA-C-N 116.572 -0.285 . . . . 0.0 111.48 -173.549 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 15.6 m -93.78 179.93 5.2 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.097 -177.582 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 59' ' ' VAL . . . . . . . . . . . . . 48.1 t -60.13 -52.64 58.84 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.166 0 CA-C-O 120.6 0.238 . . . . 0.0 111.087 -178.364 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 60' ' ' GLU . . . . . 0.407 ' HA ' ' CZ ' ' A' ' 74' ' ' PHE . 27.7 mp0 -53.53 -55.58 24.35 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.067 -0.515 . . . . 0.0 111.272 179.637 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 61' ' ' GLN . . . . . . . . . . . . . 75.6 mt-30 -58.22 -37.57 75.11 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 115.776 -0.647 . . . . 0.0 111.161 -178.607 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 62' ' ' GLY . . . . . 0.526 ' O ' ' HB2' ' A' ' 66' ' ' LEU . . . -67.04 -61.42 5.22 Favored Glycine 0 N--CA 1.445 -0.724 0 C-N-CA 121.044 -0.598 . . . . 0.0 112.566 179.233 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 63' ' ' LEU . . . . . 0.406 HD21 ' CE2' ' A' ' 30' ' ' PHE . 4.5 mm? -58.86 -45.78 89.32 Favored 'General case' 0 C--N 1.331 -0.216 0 N-CA-C 111.721 0.267 . . . . 0.0 111.721 -176.187 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 64' ' ' ARG . . . . . . . . . . . . . 29.6 ttt180 -54.89 -46.35 74.79 Favored 'General case' 0 N--CA 1.446 -0.628 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.97 -177.976 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 65' ' ' ARG . . . . . . . . . . . . . 27.4 ttm180 -76.1 -38.7 56.59 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.64 -179.779 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 66' ' ' LEU . . . . . 0.535 HD11 HD12 ' A' ' 18' ' ' ILE . 1.0 OUTLIER -62.07 -47.64 83.78 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-N 115.289 -0.869 . . . . 0.0 111.013 -176.277 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 67' ' ' ILE . . . . . . . . . . . . . 61.5 mt -78.12 -62.99 1.19 Allowed 'Isoleucine or valine' 0 C--N 1.327 -0.381 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.474 -176.967 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . -113.55 -59.91 0.4 Allowed Glycine 0 N--CA 1.445 -0.71 0 C-N-CA 120.515 -0.85 . . . . 0.0 113.333 -175.497 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . 102.88 -16.16 54.7 Favored Glycine 0 N--CA 1.447 -0.575 0 N-CA-C 110.04 -1.224 . . . . 0.0 110.04 -167.915 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 70' ' ' ASN . . . . . 0.404 ' HB3' ' HD2' ' A' ' 71' ' ' PRO . 15.5 m120 -101.06 159.8 28.48 Favored Pre-proline 0 C--N 1.324 -0.521 0 CA-C-N 114.36 -0.92 . . . . 0.0 109.501 178.801 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 71' ' ' PRO . . . . . 0.404 ' HD2' ' HB3' ' A' ' 70' ' ' ASN . 37.0 Cg_endo -66.53 99.95 0.46 Allowed 'Trans proline' 0 C--N 1.346 0.423 0 C-N-CA 122.667 2.245 . . . . 0.0 113.286 179.962 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 72' ' ' VAL . . . . . 0.473 ' CG1' HD21 ' A' ' 84' ' ' LEU . 1.1 t -133.68 160.4 42.12 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.375 0 N-CA-C 107.894 -1.15 . . . . 0.0 107.894 175.959 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -112.95 119.95 39.72 Favored 'General case' 0 C--N 1.325 -0.494 0 C-N-CA 120.333 -0.547 . . . . 0.0 111.587 -170.355 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 74' ' ' PHE . . . . . 0.491 ' HA ' ' HA ' ' A' ' 84' ' ' LEU . 32.2 p90 -123.12 145.57 48.47 Favored 'General case' 0 C--N 1.317 -0.823 0 CA-C-N 115.688 -0.687 . . . . 0.0 109.882 178.321 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 75' ' ' ARG . . . . . . . . . . . . . 5.0 ptp180 -125.1 125.64 44.08 Favored 'General case' 0 C--N 1.315 -0.899 0 CA-C-O 121.215 0.531 . . . . 0.0 110.389 -178.572 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 76' ' ' LEU . . . . . 0.403 HD22 ' N ' ' A' ' 76' ' ' LEU . 2.7 mm? -83.21 99.66 10.09 Favored 'General case' 0 C--N 1.324 -0.539 0 CA-C-N 115.739 -0.664 . . . . 0.0 109.546 -179.004 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 77' ' ' GLN . . . . . . . . . . . . . 0.4 OUTLIER -85.59 128.06 60.51 Favored Pre-proline 0 N--CA 1.434 -1.227 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.092 -176.124 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 78' ' ' PRO . . . . . . . . . . . . . 41.9 Cg_endo -66.15 -2.8 7.47 Favored 'Trans proline' 0 C--N 1.347 0.491 0 C-N-CA 123.629 2.886 . . . . 0.0 113.571 -173.215 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 79' ' ' GLN . . . . . . . . . . . . . 26.0 mt-30 -83.9 16.57 2.75 Favored 'General case' 0 C--N 1.325 -0.464 0 CA-C-O 121.016 0.436 . . . . 0.0 110.235 176.608 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . 76.3 32.97 50.29 Favored Glycine 0 N--CA 1.448 -0.532 0 CA-C-N 115.708 -0.678 . . . . 0.0 112.134 179.059 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 81' ' ' GLN . . . . . . . . . . . . . 78.6 mt-30 -134.13 118.27 17.51 Favored 'General case' 0 C--N 1.323 -0.562 0 CA-C-O 121.115 0.483 . . . . 0.0 111.506 -174.247 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 82' ' ' ILE . . . . . . . . . . . . . 57.4 mt -92.72 108.07 19.84 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.662 0 N-CA-C 109.144 -0.688 . . . . 0.0 109.144 173.435 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 83' ' ' VAL . . . . . 0.41 ' CG1' ' HB3' ' A' ' 39' ' ' PHE . 17.1 m -116.53 141.37 34.74 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.69 0 CA-C-O 121.284 0.564 . . . . 0.0 110.408 178.841 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 84' ' ' LEU . . . . . 0.667 HD23 ' N ' ' A' ' 85' ' ' SER . 7.7 tt -127.49 149.84 49.94 Favored 'General case' 0 C--N 1.317 -0.845 0 CA-C-N 115.569 -0.741 . . . . 0.0 109.083 -177.673 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 85' ' ' SER . . . . . 0.667 ' N ' HD23 ' A' ' 84' ' ' LEU . 25.1 m -144.18 150.78 38.56 Favored 'General case' 0 C--N 1.325 -0.479 0 N-CA-C 109.894 -0.41 . . . . 0.0 109.894 179.253 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 86' ' ' ARG . . . . . . . . . . . . . 69.1 mtt180 -85.1 75.61 10.33 Favored 'General case' 0 C--N 1.323 -0.562 0 CA-C-O 121.503 0.668 . . . . 0.0 111.415 -176.288 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 87' ' ' LEU . . . . . . . . . . . . . 10.9 mp -83.22 135.08 44.78 Favored Pre-proline 0 C--N 1.324 -0.542 0 CA-C-N 115.101 -0.954 . . . . 0.0 110.382 176.818 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 88' ' ' PRO . . . . . 0.424 ' HD2' HD21 ' A' ' 102' ' ' LEU . 46.7 Cg_endo -68.91 -160.95 0.06 OUTLIER 'Trans proline' 0 CA--C 1.531 0.358 0 C-N-CA 123.067 2.512 . . . . 0.0 112.275 175.909 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 89' ' ' THR . . . . . . . . . . . . . 29.7 m -48.63 118.46 2.54 Favored 'General case' 0 CA--C 1.534 0.341 0 CA-C-O 121.109 0.481 . . . . 0.0 111.647 -178.979 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 90' ' ' ALA . . . . . . . . . . . . . . . -85.79 -179.62 6.87 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 115.953 -0.567 . . . . 0.0 110.474 179.596 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 91' ' ' ASN . . . . . 0.568 ' HB2' ' O ' ' A' ' 95' ' ' GLY . 24.8 p-10 -91.05 4.74 51.33 Favored 'General case' 0 C--N 1.326 -0.448 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.005 -176.482 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 92' ' ' GLY . . . . . . . . . . . . . . . -60.7 -17.24 48.76 Favored Glycine 0 CA--C 1.52 0.397 0 CA-C-N 116.197 -0.456 . . . . 0.0 113.979 -173.911 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 7.0 p-10 -90.15 9.87 26.66 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-O 121.047 0.451 . . . . 0.0 110.629 178.393 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 94' ' ' GLY . . . . . . . . . . . . . . . 94.79 38.23 4.99 Favored Glycine 0 N--CA 1.448 -0.554 0 C-N-CA 120.921 -0.657 . . . . 0.0 111.826 -179.381 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 95' ' ' GLY . . . . . 0.568 ' O ' ' HB2' ' A' ' 91' ' ' ASN . . . -96.96 145.92 18.07 Favored Glycine 0 N--CA 1.445 -0.721 0 C-N-CA 120.723 -0.751 . . . . 0.0 111.869 -179.003 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 96' ' ' ALA . . . . . . . . . . . . . . . -93.41 138.86 31.31 Favored 'General case' 0 C--N 1.321 -0.642 0 N-CA-C 110.429 -0.211 . . . . 0.0 110.429 179.005 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 97' ' ' LEU . . . . . 0.435 ' HA ' ' OD1' ' A' ' 100' ' ' ASP . 93.9 mt 57.81 -147.3 0.52 Allowed 'General case' 0 C--O 1.235 0.339 0 O-C-N 123.422 0.451 . . . . 0.0 110.46 -179.481 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 98' ' ' ALA . . . . . . . . . . . . . . . 71.65 -67.27 0.26 Allowed 'General case' 0 N--CA 1.466 0.343 0 C-N-CA 123.304 0.642 . . . . 0.0 111.341 179.138 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 99' ' ' LEU . . . . . . . . . . . . . 44.4 tp -68.75 -23.35 64.32 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.639 0.257 . . . . 0.0 110.747 -178.711 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 100' ' ' ASP . . . . . 0.435 ' OD1' ' HA ' ' A' ' 97' ' ' LEU . 5.6 m-20 -58.42 -65.26 0.68 Allowed 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.2 -0.454 . . . . 0.0 111.134 179.611 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 18.5 p -71.68 -13.03 61.62 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-O 121.266 0.555 . . . . 0.0 111.01 -179.443 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 102' ' ' LEU . . . . . 0.424 HD21 ' HD2' ' A' ' 88' ' ' PRO . 33.6 tp -78.46 -29.77 47.08 Favored 'General case' 0 C--N 1.325 -0.497 0 CA-C-N 115.845 -0.616 . . . . 0.0 110.185 177.986 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 103' ' ' THR . . . . . . . . . . . . . 31.9 m -94.73 -42.33 8.8 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 115.836 -0.62 . . . . 0.0 110.515 177.733 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 104' ' ' VAL . . . . . . . . . . . . . 94.6 t -69.28 119.12 14.68 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.42 0 CA-C-N 116.061 -0.518 . . . . 0.0 109.693 176.416 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 105' ' ' LEU . . . . . . . . . . . . . 96.5 mt 65.02 25.39 12.63 Favored 'General case' 0 N--CA 1.463 0.222 0 CA-C-O 121.378 0.609 . . . . 0.0 110.086 -173.967 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 106' ' ' GLY . . . . . . . . . . . . . . . -126.05 68.73 0.52 Allowed Glycine 0 N--CA 1.445 -0.742 0 CA-C-N 115.68 -0.691 . . . . 0.0 111.766 179.955 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 107' ' ' ALA . . . . . . . . . . . . . . . -100.19 165.66 11.38 Favored 'General case' 0 C--N 1.323 -0.555 0 CA-C-O 120.888 0.375 . . . . 0.0 110.736 178.995 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 108' ' ' GLY . . . . . . . . . . . . . . . 173.14 168.8 34.85 Favored Glycine 0 N--CA 1.445 -0.766 0 N-CA-C 111.539 -0.625 . . . . 0.0 111.539 -179.573 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 109' ' ' GLY . . . . . . . . . . . . . . . -154.39 98.22 0.18 Allowed Glycine 0 N--CA 1.444 -0.783 0 C-N-CA 120.321 -0.943 . . . . 0.0 112.409 179.45 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 110' ' ' ASN . . . . . . . . . . . . . 4.7 p-10 -165.12 119.24 1.27 Allowed 'General case' 0 C--N 1.326 -0.447 0 CA-C-O 121.123 0.487 . . . . 0.0 109.932 174.669 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 111' ' ' ASN . . . . . . . . . . . . . 3.7 m-20 -89.48 72.32 7.94 Favored 'General case' 0 C--N 1.322 -0.609 0 N-CA-C 109.355 -0.609 . . . . 0.0 109.355 177.431 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 112' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.247 0.965 0 CA-C-N 115.596 -0.729 . . . . 0.0 110.178 -177.372 . . . . . . . . 0 0 . 1 . 011 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 47.7 m . . . . . 0 N--CA 1.475 0.816 0 CA-C-O 120.975 0.417 . . . . 0.0 110.616 . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild full ' A' A ' 7' ' ' MET . . . . . . . . . . . . . 92.5 mtp -96.38 -32.38 12.39 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.026 -177.441 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -66.14 -26.2 67.33 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.353 -0.385 . . . . 0.0 111.37 -177.512 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 9' ' ' GLN . . . . . . . . . . . . . 12.0 pt20 -67.15 -19.33 65.58 Favored 'General case' 0 C--N 1.331 -0.208 0 CA-C-O 120.803 0.335 . . . . 0.0 110.739 178.948 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -97.0 19.43 12.82 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.798 -179.077 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . 67.85 106.12 0.05 OUTLIER 'General case' 0 N--CA 1.463 0.194 0 CA-C-N 115.474 -0.785 . . . . 0.0 111.438 177.969 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 5.5 pm0 -60.27 119.56 8.14 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-O 121.359 0.599 . . . . 0.0 110.408 179.557 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 12.5 pt20 -109.13 125.76 52.51 Favored 'General case' 0 C--N 1.323 -0.573 0 CA-C-N 115.875 -0.602 . . . . 0.0 110.778 -177.061 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 14' ' ' LYS . . . . . 0.417 ' HB2' ' CZ ' ' A' ' 16' ' ' PHE . 13.7 mmmm -112.0 137.03 50.57 Favored 'General case' 0 C--N 1.321 -0.639 0 CA-C-N 115.536 -0.756 . . . . 0.0 109.453 178.821 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 15' ' ' ASN . . . . . . . . . . . . . 23.9 t-20 -81.22 110.1 16.38 Favored 'General case' 0 C--N 1.321 -0.655 0 CA-C-O 120.98 0.419 . . . . 0.0 110.215 179.715 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 16' ' ' PHE . . . . . 0.575 ' O ' ' HA ' ' A' ' 54' ' ' ASN . 52.7 m-85 -101.55 142.64 32.61 Favored 'General case' 0 C--N 1.321 -0.662 0 CA-C-N 115.981 -0.554 . . . . 0.0 110.482 -179.37 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 8.9 t30 -137.35 94.18 2.9 Favored 'General case' 0 C--N 1.325 -0.466 0 N-CA-C 109.196 -0.668 . . . . 0.0 109.196 175.083 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 18' ' ' ILE . . . . . . . . . . . . . 15.9 mm -112.76 118.73 58.67 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.663 0 CA-C-N 115.714 -0.675 . . . . 0.0 111.058 -173.159 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -75.72 152.22 37.5 Favored 'General case' 0 C--N 1.325 -0.475 0 N-CA-C 108.856 -0.794 . . . . 0.0 108.856 172.703 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -67.54 101.15 0.95 Allowed 'General case' 0 C--N 1.332 -0.182 0 CA-C-O 121.49 0.662 . . . . 0.0 110.585 -176.04 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 21' ' ' GLN . . . . . . . . . . . . . 40.0 mt-30 -107.18 168.53 7.89 Favored Pre-proline 0 C--N 1.32 -0.697 0 CA-C-N 114.769 -1.105 . . . . 0.0 110.39 177.846 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 22' ' ' PRO . . . . . 0.493 ' HA ' ' O ' ' A' ' 48' ' ' MET . 34.0 Cg_exo -60.71 134.2 52.7 Favored 'Trans proline' 0 C--N 1.343 0.27 0 C-N-CA 121.902 1.735 . . . . 0.0 109.469 165.29 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 23' ' ' LEU . . . . . 0.496 ' HB2' ' HB3' ' A' ' 48' ' ' MET . 59.6 mt -49.87 -42.16 47.11 Favored 'General case' 0 C--N 1.329 -0.319 0 N-CA-C 114.149 1.166 . . . . 0.0 114.149 -167.596 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 94.0 mt-30 -65.18 -35.12 80.1 Favored 'General case' 0 C--N 1.322 -0.593 0 CA-C-O 120.942 0.401 . . . . 0.0 110.913 -178.092 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 25' ' ' SER . . . . . 0.455 ' O ' ' HG2' ' A' ' 29' ' ' ARG . 15.3 m -83.22 -34.47 25.87 Favored 'General case' 0 C--N 1.325 -0.48 0 CA-C-O 121.096 0.474 . . . . 0.0 109.912 176.392 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -58.02 -58.52 8.05 Favored 'General case' 0 CA--C 1.516 -0.346 0 CA-C-N 115.493 -0.776 . . . . 0.0 111.437 -179.384 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 27' ' ' MET . . . . . 0.541 ' CE ' ' HB3' ' A' ' 66' ' ' LEU . 12.3 mmt -79.18 -13.37 59.75 Favored 'General case' 0 CA--C 1.506 -0.735 0 CA-C-N 115.377 -0.829 . . . . 0.0 110.558 -174.297 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 28' ' ' LEU . . . . . 0.635 ' O ' ' HG3' ' A' ' 32' ' ' GLU . 3.1 tm? -66.36 -53.62 33.97 Favored 'General case' 0 C--N 1.318 -0.797 0 N-CA-C 107.984 -1.117 . . . . 0.0 107.984 167.405 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 29' ' ' ARG . . . . . 0.537 ' HD3' ' OE1' ' A' ' 32' ' ' GLU . 29.1 mmt180 -65.46 -42.49 92.23 Favored 'General case' 0 N--CA 1.464 0.251 0 CA-C-N 116.299 -0.41 . . . . 0.0 111.402 -178.924 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 30' ' ' PHE . . . . . 0.47 ' HB3' ' HA ' ' A' ' 27' ' ' MET . 32.1 t80 -62.61 -52.65 62.52 Favored 'General case' 0 C--N 1.326 -0.455 0 CA-C-O 120.982 0.42 . . . . 0.0 110.823 178.205 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 31' ' ' ALA . . . . . 0.464 ' HA ' ' HB3' ' A' ' 34' ' ' ALA . . . -71.44 -19.56 62.22 Favored 'General case' 0 C--N 1.323 -0.546 0 CA-C-N 116.156 -0.474 . . . . 0.0 111.204 -176.445 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 32' ' ' GLU . . . . . 0.635 ' HG3' ' O ' ' A' ' 28' ' ' LEU . 20.7 mt-10 -53.39 -50.99 63.97 Favored 'General case' 0 N--CA 1.471 0.604 0 CA-C-O 120.921 0.391 . . . . 0.0 111.1 176.383 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 33' ' ' GLN . . . . . . . . . . . . . 4.1 pt20 -83.29 -9.14 59.27 Favored 'General case' 0 C--N 1.325 -0.465 0 CA-C-N 116.059 -0.519 . . . . 0.0 111.061 -178.227 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 34' ' ' ALA . . . . . 0.464 ' HB3' ' HA ' ' A' ' 31' ' ' ALA . . . -94.23 -11.07 31.0 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-O 120.969 0.414 . . . . 0.0 111.086 177.372 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 85.24 37.41 9.9 Favored Glycine 0 CA--C 1.517 0.209 0 CA-C-N 116.033 -0.53 . . . . 0.0 112.718 178.6 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 36' ' ' MET . . . . . 0.452 ' HG2' ' HA2' ' A' ' 80' ' ' GLY . 64.1 mtm -148.83 176.03 10.75 Favored 'General case' 0 C--N 1.328 -0.356 0 C-N-CA 122.566 0.346 . . . . 0.0 110.217 -178.615 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 37' ' ' GLN . . . . . 0.423 ' O ' ' HA ' ' A' ' 81' ' ' GLN . 44.1 tt0 -138.19 144.12 40.55 Favored 'General case' 0 C--N 1.325 -0.5 0 N-CA-C 109.413 -0.588 . . . . 0.0 109.413 173.407 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 38' ' ' VAL . . . . . 0.44 ' HB ' ' HB2' ' A' ' 27' ' ' MET . 6.4 p -77.3 132.75 32.14 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.385 0 N-CA-C 109.618 -0.512 . . . . 0.0 109.618 176.546 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 39' ' ' PHE . . . . . . . . . . . . . 82.9 t80 -89.79 115.36 27.08 Favored 'General case' 0 C--N 1.322 -0.628 0 CA-C-N 115.959 -0.564 . . . . 0.0 110.745 -174.697 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 40' ' ' PHE . . . . . . . . . . . . . 20.9 p90 -142.37 104.87 4.49 Favored 'General case' 0 C--N 1.322 -0.588 0 CA-C-O 121.381 0.61 . . . . 0.0 110.322 178.116 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 32.0 t70 -125.88 -61.5 1.24 Allowed 'General case' 0 C--N 1.321 -0.638 0 CA-C-N 115.955 -0.566 . . . . 0.0 110.295 179.156 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 42.1 mt-10 -97.24 86.73 3.99 Favored 'General case' 0 C--N 1.322 -0.595 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.053 176.117 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 43' ' ' VAL . . . . . . . . . . . . . 4.2 m -151.34 138.29 13.06 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 CA-C-N 115.913 -0.585 . . . . 0.0 110.517 -178.324 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 24.1 ttmm -150.57 89.81 1.59 Allowed 'General case' 0 C--N 1.321 -0.652 0 CA-C-N 116.047 -0.524 . . . . 0.0 109.862 174.998 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 56.3 tp -159.2 125.31 4.43 Favored 'General case' 0 C--N 1.324 -0.528 0 CA-C-N 115.646 -0.706 . . . . 0.0 109.97 -179.597 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 6.6 p-10 -94.22 162.04 14.02 Favored 'General case' 0 C--N 1.322 -0.595 0 CA-C-O 120.903 0.382 . . . . 0.0 110.606 -179.364 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 101.21 10.62 41.56 Favored Glycine 0 N--CA 1.446 -0.646 0 C-N-CA 120.831 -0.7 . . . . 0.0 112.405 178.93 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 48' ' ' MET . . . . . 0.496 ' HB3' ' HB2' ' A' ' 23' ' ' LEU . 64.3 mtt -71.66 117.84 13.74 Favored 'General case' 0 C--N 1.33 -0.264 0 N-CA-C 109.928 -0.397 . . . . 0.0 109.928 -178.996 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 47.6 mt-30 -141.7 126.89 18.53 Favored 'General case' 0 C--N 1.322 -0.591 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.333 -176.587 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -83.93 160.62 21.05 Favored 'General case' 0 C--N 1.321 -0.635 0 CA-C-N 115.99 -0.55 . . . . 0.0 110.913 179.652 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -90.65 154.0 19.89 Favored 'General case' 0 C--N 1.322 -0.601 0 CA-C-N 115.946 -0.57 . . . . 0.0 109.945 175.597 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -70.08 89.7 0.63 Allowed 'General case' 0 C--N 1.328 -0.34 0 CA-C-O 121.145 0.498 . . . . 0.0 110.368 178.915 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 61.5 tp -83.13 113.1 20.4 Favored 'General case' 0 C--N 1.322 -0.607 0 CA-C-N 115.705 -0.68 . . . . 0.0 110.763 -178.247 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 54' ' ' ASN . . . . . 0.575 ' HA ' ' O ' ' A' ' 16' ' ' PHE . 64.0 t30 -138.51 100.92 4.22 Favored 'General case' 0 C--N 1.323 -0.56 0 N-CA-C 109.597 -0.52 . . . . 0.0 109.597 175.798 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . 179.74 165.3 33.51 Favored Glycine 0 N--CA 1.45 -0.395 0 C-N-CA 120.5 -0.857 . . . . 0.0 112.593 -178.037 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 17.4 m -106.22 103.29 12.73 Favored 'General case' 0 C--N 1.325 -0.495 0 CA-C-O 120.754 0.311 . . . . 0.0 110.651 -178.653 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 57' ' ' MET . . . . . . . . . . . . . 12.5 ptt? -162.77 -171.05 2.56 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.283 179.876 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 14.8 m -90.89 -171.22 2.94 Favored 'General case' 0 C--N 1.324 -0.526 0 C-N-CA 120.915 -0.314 . . . . 0.0 111.087 -178.556 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 59' ' ' VAL . . . . . 0.403 HG21 ' HE1' ' A' ' 36' ' ' MET . 24.2 t -66.28 -40.28 86.43 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.338 0 CA-C-N 116.578 -0.283 . . . . 0.0 111.366 -176.411 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 60' ' ' GLU . . . . . 0.725 ' O ' ' HG3' ' A' ' 64' ' ' ARG . 1.7 mp0 -50.31 -70.22 0.09 Allowed 'General case' 0 C--N 1.328 -0.338 0 O-C-N 123.607 0.567 . . . . 0.0 111.376 -175.659 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 61' ' ' GLN . . . . . 0.402 ' HA ' ' HD3' ' A' ' 64' ' ' ARG . 18.3 mm100 -62.2 -34.41 76.4 Favored 'General case' 0 C--N 1.328 -0.35 0 N-CA-C 111.762 0.282 . . . . 0.0 111.762 -174.313 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . -64.55 -53.63 34.1 Favored Glycine 0 N--CA 1.449 -0.495 0 C-N-CA 120.524 -0.846 . . . . 0.0 112.197 178.218 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 63' ' ' LEU . . . . . 0.551 HD12 ' CG ' ' A' ' 74' ' ' PHE . 1.3 tm? -67.49 -32.61 73.55 Favored 'General case' 0 C--N 1.326 -0.453 0 C-N-CA 122.466 0.306 . . . . 0.0 110.623 -176.414 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 64' ' ' ARG . . . . . 0.725 ' HG3' ' O ' ' A' ' 60' ' ' GLU . 71.7 mtp180 -51.92 -59.67 4.06 Favored 'General case' 0 C--O 1.235 0.298 0 CA-C-O 121.046 0.451 . . . . 0.0 110.555 176.578 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 65' ' ' ARG . . . . . . . . . . . . . 51.7 ttt180 -68.63 -33.79 74.62 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 115.441 -0.8 . . . . 0.0 110.856 -177.377 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 66' ' ' LEU . . . . . 0.541 ' HB3' ' CE ' ' A' ' 27' ' ' MET . 9.2 mt -59.03 -55.74 31.26 Favored 'General case' 0 C--N 1.324 -0.535 0 CA-C-N 115.511 -0.768 . . . . 0.0 112.866 -177.184 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 67' ' ' ILE . . . . . 0.561 ' HB ' ' ND2' ' A' ' 111' ' ' ASN . 10.6 mt -79.98 -61.59 1.68 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.345 0 N-CA-C 113.155 0.798 . . . . 0.0 113.155 -170.02 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . -112.38 -63.07 0.46 Allowed Glycine 0 N--CA 1.448 -0.549 0 C-N-CA 119.009 -1.567 . . . . 0.0 114.711 -169.015 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . 84.47 -21.77 10.06 Favored Glycine 0 CA--C 1.52 0.378 0 N-CA-C 110.499 -1.041 . . . . 0.0 110.499 -167.295 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 70' ' ' ASN . . . . . 0.512 ' HB2' ' HD2' ' A' ' 71' ' ' PRO . 27.5 p-10 -101.68 162.56 20.05 Favored Pre-proline 0 C--N 1.327 -0.386 0 C-N-CA 123.534 0.734 . . . . 0.0 109.191 175.314 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 71' ' ' PRO . . . . . 0.512 ' HD2' ' HB2' ' A' ' 70' ' ' ASN . 19.1 Cg_endo -59.25 97.72 0.1 Allowed 'Trans proline' 0 C--N 1.351 0.661 0 C-N-CA 122.552 2.168 . . . . 0.0 113.368 -179.087 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 72' ' ' VAL . . . . . . . . . . . . . 8.2 t -140.56 160.27 24.64 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.393 0 N-CA-C 107.69 -1.226 . . . . 0.0 107.69 174.708 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -117.56 129.72 55.96 Favored 'General case' 0 C--N 1.322 -0.596 0 C-N-CA 120.694 -0.402 . . . . 0.0 111.053 -179.549 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 74' ' ' PHE . . . . . 0.551 ' CG ' HD12 ' A' ' 63' ' ' LEU . 27.6 p90 -115.98 138.85 50.83 Favored 'General case' 0 C--N 1.325 -0.499 0 CA-C-O 121.05 0.452 . . . . 0.0 109.937 174.635 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 75' ' ' ARG . . . . . . . . . . . . . 82.6 mtp180 -114.97 119.62 37.13 Favored 'General case' 0 C--N 1.318 -0.795 0 CA-C-N 115.903 -0.589 . . . . 0.0 110.58 -178.406 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 76' ' ' LEU . . . . . . . . . . . . . 41.2 mt -87.53 99.19 11.85 Favored 'General case' 0 C--N 1.32 -0.712 0 N-CA-C 109.14 -0.689 . . . . 0.0 109.14 176.757 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 77' ' ' GLN . . . . . 0.431 ' HA ' ' HD3' ' A' ' 78' ' ' PRO . 14.9 mm100 -79.43 137.2 55.75 Favored Pre-proline 0 C--N 1.321 -0.649 0 CA-C-N 115.851 -0.613 . . . . 0.0 111.128 -174.03 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 78' ' ' PRO . . . . . 0.431 ' HD3' ' HA ' ' A' ' 77' ' ' GLN . 29.9 Cg_exo -62.8 -6.8 9.85 Favored 'Trans proline' 0 C--N 1.351 0.66 0 C-N-CA 123.566 2.844 . . . . 0.0 113.669 -177.039 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 79' ' ' GLN . . . . . . . . . . . . . 16.8 mm100 -84.49 -4.49 58.97 Favored 'General case' 0 C--N 1.325 -0.476 0 CA-C-O 120.951 0.405 . . . . 0.0 110.108 176.058 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 80' ' ' GLY . . . . . 0.452 ' HA2' ' HG2' ' A' ' 36' ' ' MET . . . 92.5 39.01 5.44 Favored Glycine 0 N--CA 1.446 -0.697 0 CA-C-N 115.852 -0.613 . . . . 0.0 111.868 -179.997 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 81' ' ' GLN . . . . . 0.423 ' HA ' ' O ' ' A' ' 37' ' ' GLN . 51.8 mt-30 -133.3 130.87 39.5 Favored 'General case' 0 C--N 1.326 -0.443 0 CA-C-O 120.728 0.299 . . . . 0.0 110.867 -176.542 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 82' ' ' ILE . . . . . . . . . . . . . 51.7 mt -96.44 107.6 20.02 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.676 0 N-CA-C 109.451 -0.574 . . . . 0.0 109.451 175.247 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 83' ' ' VAL . . . . . . . . . . . . . 24.8 t -108.39 126.06 65.13 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.562 0 CA-C-N 116.306 -0.406 . . . . 0.0 110.393 -177.982 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 84' ' ' LEU . . . . . . . . . . . . . 21.5 tp -87.06 144.99 26.64 Favored 'General case' 0 C--N 1.322 -0.603 0 N-CA-C 109.461 -0.57 . . . . 0.0 109.461 178.066 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 85' ' ' SER . . . . . . . . . . . . . 47.7 m -143.57 143.29 31.44 Favored 'General case' 0 C--N 1.322 -0.589 0 CA-C-O 121.304 0.573 . . . . 0.0 111.425 -178.393 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 86' ' ' ARG . . . . . . . . . . . . . 38.9 ttm180 -102.7 76.38 1.5 Allowed 'General case' 0 C--N 1.324 -0.527 0 N-CA-C 108.775 -0.824 . . . . 0.0 108.775 177.233 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 87' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -62.42 136.46 95.81 Favored Pre-proline 0 C--N 1.324 -0.539 0 CA-C-N 115.34 -0.845 . . . . 0.0 111.292 -174.641 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 88' ' ' PRO . . . . . . . . . . . . . 38.2 Cg_endo -69.28 107.29 1.73 Allowed 'Trans proline' 0 N--CA 1.463 -0.317 0 C-N-CA 122.45 2.1 . . . . 0.0 111.751 177.935 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 89' ' ' THR . . . . . . . . . . . . . 14.9 m -87.51 108.26 18.95 Favored 'General case' 0 C--N 1.322 -0.593 0 CA-C-N 116.066 -0.516 . . . . 0.0 109.886 -179.744 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 90' ' ' ALA . . . . . . . . . . . . . . . -67.51 109.82 3.39 Favored 'General case' 0 C--N 1.326 -0.451 0 CA-C-O 120.989 0.424 . . . . 0.0 111.167 -177.855 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 91' ' ' ASN . . . . . . . . . . . . . 54.3 m-80 -124.66 -32.46 3.1 Favored 'General case' 0 C--N 1.324 -0.506 0 CA-C-N 115.929 -0.578 . . . . 0.0 110.781 177.128 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 92' ' ' GLY . . . . . . . . . . . . . . . -109.65 16.02 31.57 Favored Glycine 0 N--CA 1.45 -0.411 0 C-N-CA 120.672 -0.775 . . . . 0.0 113.39 -174.172 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 14.4 t70 -92.85 -37.11 12.47 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-O 121.183 0.516 . . . . 0.0 110.292 177.888 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 94' ' ' GLY . . . . . . . . . . . . . . . 96.05 -27.01 18.24 Favored Glycine 0 N--CA 1.446 -0.695 0 C-N-CA 120.982 -0.628 . . . . 0.0 112.979 178.844 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 95' ' ' GLY . . . . . . . . . . . . . . . -176.39 61.18 0.1 Allowed Glycine 0 N--CA 1.446 -0.649 0 C-N-CA 120.347 -0.93 . . . . 0.0 112.345 179.71 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 96' ' ' ALA . . . . . . . . . . . . . . . -79.77 96.62 6.34 Favored 'General case' 0 C--N 1.324 -0.514 0 CA-C-O 120.753 0.311 . . . . 0.0 110.825 -178.54 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 97' ' ' LEU . . . . . . . . . . . . . 88.3 mt -65.83 157.78 29.55 Favored 'General case' 0 C--N 1.324 -0.501 0 CA-C-N 116.077 -0.51 . . . . 0.0 110.176 179.312 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 98' ' ' ALA . . . . . . . . . . . . . . . 71.03 -57.61 0.6 Allowed 'General case' 0 N--CA 1.467 0.383 0 O-C-N 123.986 0.804 . . . . 0.0 111.203 -176.298 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 99' ' ' LEU . . . . . . . . . . . . . 64.0 tp -67.0 -23.21 65.9 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-O 121.079 0.466 . . . . 0.0 110.813 179.435 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 100' ' ' ASP . . . . . . . . . . . . . 34.0 t70 -59.87 -33.47 71.85 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 115.897 -0.592 . . . . 0.0 111.502 -178.876 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 50.8 m -65.0 -29.14 70.04 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-O 121.055 0.455 . . . . 0.0 110.932 178.643 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 102' ' ' LEU . . . . . . . . . . . . . 39.3 tp -82.83 -19.84 36.82 Favored 'General case' 0 C--N 1.326 -0.442 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.075 178.879 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 103' ' ' THR . . . . . . . . . . . . . 8.8 m -78.19 -16.19 58.11 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 115.961 -0.563 . . . . 0.0 110.708 -179.199 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 104' ' ' VAL . . . . . 0.576 HG12 ' H ' ' A' ' 106' ' ' GLY . 48.7 t -64.27 124.55 19.26 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.375 0 CA-C-N 116.002 -0.545 . . . . 0.0 110.103 178.522 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 105' ' ' LEU . . . . . . . . . . . . . 52.9 tp -63.1 -20.03 64.98 Favored 'General case' 0 C--O 1.233 0.191 0 CA-C-N 116.105 -0.498 . . . . 0.0 111.188 -177.012 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 106' ' ' GLY . . . . . 0.576 ' H ' HG12 ' A' ' 104' ' ' VAL . . . -73.0 61.75 1.71 Allowed Glycine 0 N--CA 1.449 -0.437 0 C-N-CA 121.261 -0.495 . . . . 0.0 112.003 174.359 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 107' ' ' ALA . . . . . . . . . . . . . . . -97.92 151.07 20.65 Favored 'General case' 0 C--N 1.322 -0.608 0 N-CA-C 109.852 -0.425 . . . . 0.0 109.852 178.687 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 108' ' ' GLY . . . . . . . . . . . . . . . -70.9 -11.45 69.72 Favored Glycine 0 N--CA 1.45 -0.427 0 CA-C-N 115.989 -0.55 . . . . 0.0 112.852 -178.34 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 109' ' ' GLY . . . . . . . . . . . . . . . -155.26 98.67 0.18 Allowed Glycine 0 N--CA 1.443 -0.896 0 C-N-CA 120.652 -0.785 . . . . 0.0 112.298 178.088 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 110' ' ' ASN . . . . . 0.504 ' O ' ' HG2' ' A' ' 64' ' ' ARG . 21.9 p-10 -130.72 122.74 27.82 Favored 'General case' 0 C--N 1.323 -0.568 0 N-CA-C 109.637 -0.505 . . . . 0.0 109.637 175.449 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 111' ' ' ASN . . . . . 0.561 ' ND2' ' HB ' ' A' ' 67' ' ' ILE . 16.3 m120 -73.11 -2.08 20.02 Favored 'General case' 0 C--N 1.324 -0.514 0 N-CA-C 111.906 0.336 . . . . 0.0 111.906 -173.797 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 112' ' ' ALA . . . . . 0.46 ' HB2' ' HA ' ' A' ' 71' ' ' PRO . . . . . . . . 0 C--O 1.248 0.996 0 CA-C-O 118.75 -0.643 . . . . 0.0 109.878 176.727 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 29.5 t . . . . . 0 N--CA 1.478 0.943 0 N-CA-C 109.98 -0.378 . . . . 0.0 109.98 . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild full ' A' A ' 7' ' ' MET . . . . . . . . . . . . . 15.5 tpt -55.19 -62.53 1.61 Allowed 'General case' 0 C--N 1.331 -0.206 0 N-CA-C 112.126 0.417 . . . . 0.0 112.126 -173.325 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -73.15 -21.41 60.72 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-O 120.97 0.414 . . . . 0.0 111.301 -176.74 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 9' ' ' GLN . . . . . . . . . . . . . 65.2 tt0 -68.71 -30.07 68.64 Favored 'General case' 0 C--N 1.323 -0.563 0 CA-C-O 121.163 0.506 . . . . 0.0 110.27 176.223 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -77.63 -2.94 38.42 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 115.956 -0.565 . . . . 0.0 110.71 177.045 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -119.59 58.02 0.89 Allowed 'General case' 0 C--N 1.325 -0.495 0 CA-C-N 115.692 -0.685 . . . . 0.0 109.274 174.878 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 34.2 tt0 -73.05 101.45 3.26 Favored 'General case' 0 C--N 1.324 -0.535 0 CA-C-N 115.411 -0.813 . . . . 0.0 110.955 -175.443 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 13.9 pt20 -97.14 122.81 40.57 Favored 'General case' 0 C--N 1.323 -0.567 0 CA-C-O 121.091 0.472 . . . . 0.0 109.976 176.728 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 14' ' ' LYS . . . . . 0.552 ' O ' ' HA ' ' A' ' 56' ' ' SER . 30.2 mmmt -116.49 147.53 41.66 Favored 'General case' 0 C--N 1.321 -0.672 0 N-CA-C 109.64 -0.504 . . . . 0.0 109.64 -178.706 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 15' ' ' ASN . . . . . . . . . . . . . 27.0 t-20 -81.28 102.73 10.58 Favored 'General case' 0 C--N 1.321 -0.644 0 CA-C-O 120.973 0.416 . . . . 0.0 109.902 179.664 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 16' ' ' PHE . . . . . 0.401 ' CZ ' ' HB2' ' A' ' 14' ' ' LYS . 80.5 m-85 -99.26 150.45 22.09 Favored 'General case' 0 C--N 1.322 -0.623 0 CA-C-N 115.993 -0.549 . . . . 0.0 110.551 -178.522 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 2.1 p-10 -138.7 89.13 2.34 Favored 'General case' 0 C--N 1.324 -0.537 0 CA-C-O 121.583 0.706 . . . . 0.0 110.217 178.911 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 18' ' ' ILE . . . . . 0.407 HG12 HD12 ' A' ' 53' ' ' LEU . 19.4 mm -115.16 109.27 27.78 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.51 0 CA-C-N 115.888 -0.597 . . . . 0.0 110.718 -176.524 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -73.52 161.23 30.6 Favored 'General case' 0 C--N 1.324 -0.531 0 N-CA-C 108.29 -1.004 . . . . 0.0 108.29 169.507 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -68.0 101.34 1.11 Allowed 'General case' 0 C--N 1.328 -0.337 0 CA-C-O 121.617 0.722 . . . . 0.0 110.212 -176.414 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 21' ' ' GLN . . . . . . . . . . . . . 40.5 mt-30 -106.9 165.1 13.47 Favored Pre-proline 0 C--N 1.319 -0.747 0 CA-C-N 114.609 -1.178 . . . . 0.0 109.591 175.898 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 22' ' ' PRO . . . . . . . . . . . . . 36.2 Cg_exo -61.18 129.27 27.89 Favored 'Trans proline' 0 N--CA 1.461 -0.389 0 C-N-CA 121.553 1.502 . . . . 0.0 109.433 167.662 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 23' ' ' LEU . . . . . 0.47 HD12 ' HB3' ' A' ' 48' ' ' MET . 11.3 mt -51.64 -31.42 25.25 Favored 'General case' 0 CA--C 1.529 0.148 0 N-CA-C 113.565 0.95 . . . . 0.0 113.565 -168.042 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 71.1 mt-30 -63.64 -47.9 79.43 Favored 'General case' 0 C--N 1.326 -0.439 0 CA-C-O 121.181 0.515 . . . . 0.0 110.718 178.446 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 7.7 m -84.74 -24.18 28.94 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-N 115.795 -0.638 . . . . 0.0 110.71 -178.732 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -59.66 -52.98 63.2 Favored 'General case' 0 CA--C 1.517 -0.288 0 CA-C-O 121.253 0.549 . . . . 0.0 110.612 177.157 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 27' ' ' MET . . . . . 0.497 ' O ' ' HB3' ' A' ' 31' ' ' ALA . 22.9 mmt -74.89 -14.24 60.64 Favored 'General case' 0 C--O 1.218 -0.57 0 CA-C-N 115.476 -0.784 . . . . 0.0 110.556 -179.113 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 28' ' ' LEU . . . . . 0.479 ' O ' ' HG3' ' A' ' 32' ' ' GLU . 63.7 tp -66.93 -60.04 2.98 Favored 'General case' 0 C--N 1.318 -0.795 0 N-CA-C 108.592 -0.892 . . . . 0.0 108.592 170.737 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 29' ' ' ARG . . . . . 0.548 ' NE ' ' HA ' ' A' ' 29' ' ' ARG . 1.4 mmp_? -56.89 -46.66 81.76 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 121.04 0.447 . . . . 0.0 111.39 179.246 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 22.5 t80 -68.26 -57.21 6.34 Favored 'General case' 0 C--N 1.323 -0.573 0 CA-C-N 115.801 -0.636 . . . . 0.0 111.898 -178.16 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 31' ' ' ALA . . . . . 0.497 ' HB3' ' O ' ' A' ' 27' ' ' MET . . . -78.18 -17.88 56.22 Favored 'General case' 0 C--N 1.322 -0.593 0 N-CA-C 112.304 0.483 . . . . 0.0 112.304 -169.332 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 32' ' ' GLU . . . . . 0.479 ' HG3' ' O ' ' A' ' 28' ' ' LEU . 31.2 mt-10 -55.07 -37.86 67.32 Favored 'General case' 0 N--CA 1.471 0.58 0 CA-C-O 121.39 0.614 . . . . 0.0 109.515 170.644 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 33' ' ' GLN . . . . . . . . . . . . . 45.9 mt-30 -79.24 -21.28 46.41 Favored 'General case' 0 C--N 1.325 -0.465 0 CA-C-N 115.05 -0.977 . . . . 0.0 110.824 179.914 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -101.68 9.14 41.29 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-N 116.147 -0.479 . . . . 0.0 111.655 -178.646 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 64.54 36.55 93.3 Favored Glycine 0 CA--C 1.519 0.287 0 CA-C-N 116.099 -0.5 . . . . 0.0 112.919 178.114 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 36' ' ' MET . . . . . . . . . . . . . 73.9 mtm -146.83 176.5 9.83 Favored 'General case' 0 C--N 1.326 -0.443 0 N-CA-C 109.876 -0.416 . . . . 0.0 109.876 -178.064 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 37' ' ' GLN . . . . . . . . . . . . . 25.1 mt-30 -153.5 154.88 35.2 Favored 'General case' 0 C--N 1.327 -0.372 0 N-CA-C 109.996 -0.372 . . . . 0.0 109.996 172.29 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 38' ' ' VAL . . . . . 0.433 ' CG1' ' HB2' ' A' ' 27' ' ' MET . 7.6 p -78.14 117.51 23.58 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.36 0 CA-C-O 121.306 0.574 . . . . 0.0 110.09 179.288 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 39' ' ' PHE . . . . . . . . . . . . . 55.7 t80 -122.29 135.46 54.74 Favored 'General case' 0 C--N 1.32 -0.708 0 CA-C-N 116.034 -0.53 . . . . 0.0 110.312 -176.473 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 40' ' ' PHE . . . . . . . . . . . . . 19.1 p90 -147.07 143.68 28.52 Favored 'General case' 0 C--N 1.319 -0.753 0 CA-C-N 115.625 -0.716 . . . . 0.0 109.77 178.884 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 9.1 m-20 -73.62 -168.63 0.59 Allowed 'General case' 0 C--N 1.326 -0.45 0 CA-C-N 115.723 -0.672 . . . . 0.0 110.688 -179.168 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 46.2 mt-10 -62.35 94.53 0.06 Allowed 'General case' 0 C--N 1.328 -0.337 0 CA-C-O 121.255 0.55 . . . . 0.0 111.814 179.892 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 43' ' ' VAL . . . . . . . . . . . . . 7.1 p -150.72 134.97 8.82 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.767 0 CA-C-N 115.418 -0.81 . . . . 0.0 109.057 175.707 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 39.4 ttpt -79.12 110.74 14.65 Favored 'General case' 0 C--N 1.322 -0.621 0 CA-C-O 120.833 0.349 . . . . 0.0 110.294 -178.098 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 82.1 mt -115.22 100.11 7.9 Favored 'General case' 0 C--N 1.322 -0.62 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.107 179.397 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 17.6 t70 -112.28 133.13 54.57 Favored 'General case' 0 C--N 1.323 -0.563 0 CA-C-N 116.038 -0.528 . . . . 0.0 110.28 179.674 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 81.99 22.21 59.8 Favored Glycine 0 N--CA 1.448 -0.528 0 C-N-CA 120.72 -0.753 . . . . 0.0 112.848 177.424 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 48' ' ' MET . . . . . 0.47 ' HB3' HD12 ' A' ' 23' ' ' LEU . 18.9 mmt -80.62 118.37 22.13 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-O 121.041 0.448 . . . . 0.0 110.027 178.113 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 8.7 tt0 -131.72 143.82 50.54 Favored 'General case' 0 C--N 1.324 -0.521 0 CA-C-N 115.822 -0.627 . . . . 0.0 110.115 -174.089 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -83.02 153.03 25.15 Favored 'General case' 0 C--N 1.325 -0.495 0 CA-C-N 116.03 -0.532 . . . . 0.0 110.969 -178.121 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -88.37 169.27 11.96 Favored 'General case' 0 C--N 1.324 -0.5 0 CA-C-N 115.745 -0.662 . . . . 0.0 111.063 -179.841 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -68.52 104.65 1.98 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 115.965 -0.561 . . . . 0.0 110.96 -179.513 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 53' ' ' LEU . . . . . 0.463 ' CB ' HD13 ' A' ' 66' ' ' LEU . 3.4 tm? -121.16 108.12 13.4 Favored 'General case' 0 C--N 1.322 -0.609 0 CA-C-N 115.865 -0.607 . . . . 0.0 109.742 -178.304 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 54' ' ' ASN . . . . . . . . . . . . . 7.2 t30 -149.01 98.87 2.9 Favored 'General case' 0 C--N 1.323 -0.574 0 CA-C-N 116.033 -0.53 . . . . 0.0 109.739 177.35 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . 177.94 174.1 43.96 Favored Glycine 0 N--CA 1.447 -0.601 0 C-N-CA 120.777 -0.725 . . . . 0.0 112.096 -179.407 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 56' ' ' SER . . . . . 0.552 ' HA ' ' O ' ' A' ' 14' ' ' LYS . 24.5 t -97.9 104.33 16.35 Favored 'General case' 0 C--N 1.322 -0.587 0 N-CA-C 109.822 -0.436 . . . . 0.0 109.822 176.696 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 57' ' ' MET . . . . . 0.449 ' SD ' ' HA2' ' A' ' 62' ' ' GLY . 20.7 ptp -150.83 173.0 14.74 Favored 'General case' 0 C--N 1.323 -0.559 0 CA-C-N 116.297 -0.41 . . . . 0.0 110.418 -177.708 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 48.2 m -92.57 166.97 12.24 Favored 'General case' 0 C--N 1.325 -0.482 0 CA-C-N 116.394 -0.366 . . . . 0.0 111.084 -178.814 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 59' ' ' VAL . . . . . 0.406 ' O ' HD23 ' A' ' 63' ' ' LEU . 96.9 t -52.39 -48.2 45.61 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.411 0 O-C-N 123.42 0.45 . . . . 0.0 111.272 -179.431 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 60' ' ' GLU . . . . . 0.474 ' O ' ' HG3' ' A' ' 64' ' ' ARG . 20.4 mp0 -55.81 -33.86 64.81 Favored 'General case' 0 C--N 1.326 -0.438 0 CA-C-N 116.061 -0.518 . . . . 0.0 111.959 -178.41 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 61' ' ' GLN . . . . . . . . . . . . . 16.3 mm100 -89.52 -42.21 11.58 Favored 'General case' 0 C--N 1.324 -0.529 0 CA-C-O 120.684 0.278 . . . . 0.0 110.918 -177.226 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 62' ' ' GLY . . . . . 0.449 ' HA2' ' SD ' ' A' ' 57' ' ' MET . . . -62.59 -49.72 70.9 Favored Glycine 0 N--CA 1.448 -0.56 0 C-N-CA 121.094 -0.574 . . . . 0.0 112.579 -176.93 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 63' ' ' LEU . . . . . 0.615 HD12 HD11 ' A' ' 67' ' ' ILE . 4.4 mm? -60.17 -33.98 72.96 Favored 'General case' 0 C--N 1.327 -0.382 0 N-CA-C 111.576 0.214 . . . . 0.0 111.576 -177.097 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 64' ' ' ARG . . . . . 0.509 ' HA ' ' HA ' ' A' ' 111' ' ' ASN . 52.2 mtt180 -57.29 -50.13 73.88 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-O 120.877 0.37 . . . . 0.0 110.957 -179.479 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 65' ' ' ARG . . . . . . . . . . . . . 71.0 mtp180 -79.07 -38.11 37.16 Favored 'General case' 0 C--N 1.322 -0.61 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.261 -179.642 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 66' ' ' LEU . . . . . 0.463 HD13 ' CB ' ' A' ' 53' ' ' LEU . 46.0 tp -69.4 -37.28 77.42 Favored 'General case' 0 C--N 1.324 -0.526 0 N-CA-C 112.984 0.735 . . . . 0.0 112.984 -170.898 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 67' ' ' ILE . . . . . 0.615 HD11 HD12 ' A' ' 63' ' ' LEU . 43.2 mt -80.84 -65.02 0.85 Allowed 'Isoleucine or valine' 0 C--N 1.331 -0.214 0 N-CA-C 113.206 0.817 . . . . 0.0 113.206 -171.782 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . -114.2 -63.25 0.41 Allowed Glycine 0 N--CA 1.449 -0.494 0 C-N-CA 118.905 -1.617 . . . . 0.0 115.297 -167.267 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . 83.18 -15.32 34.25 Favored Glycine 0 CA--C 1.521 0.432 0 N-CA-C 110.259 -1.136 . . . . 0.0 110.259 -166.352 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 70' ' ' ASN . . . . . . . . . . . . . 72.3 m-20 -100.68 165.68 13.88 Favored Pre-proline 0 C--N 1.328 -0.338 0 N-CA-C 108.827 -0.805 . . . . 0.0 108.827 176.674 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 71' ' ' PRO . . . . . . . . . . . . . 17.5 Cg_exo -67.31 95.45 0.38 Allowed 'Trans proline' 0 C--N 1.346 0.414 0 C-N-CA 121.723 1.615 . . . . 0.0 111.659 176.708 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 72' ' ' VAL . . . . . . . . . . . . . 12.4 p -152.49 160.39 3.27 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.607 0 N-CA-C 108.216 -1.031 . . . . 0.0 108.216 178.0 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 73' ' ' ALA . . . . . 0.433 ' HB3' HD23 ' A' ' 87' ' ' LEU . . . -122.24 142.08 50.82 Favored 'General case' 0 C--N 1.32 -0.695 0 CA-C-O 121.031 0.444 . . . . 0.0 111.529 -177.978 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 74' ' ' PHE . . . . . . . . . . . . . 15.6 p90 -106.17 126.34 52.09 Favored 'General case' 0 C--N 1.318 -0.772 0 CA-C-N 115.856 -0.611 . . . . 0.0 110.135 174.408 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 75' ' ' ARG . . . . . 0.44 HH11 ' HD3' ' A' ' 75' ' ' ARG . 15.9 ttm180 -107.08 115.95 31.07 Favored 'General case' 0 C--N 1.321 -0.664 0 CA-C-N 116.05 -0.523 . . . . 0.0 109.759 -179.177 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 76' ' ' LEU . . . . . . . . . . . . . 94.2 mt -86.57 103.26 14.9 Favored 'General case' 0 C--N 1.323 -0.564 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.746 -178.764 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 77' ' ' GLN . . . . . . . . . . . . . 13.5 mm100 -72.97 130.01 85.66 Favored Pre-proline 0 C--N 1.323 -0.545 0 N-CA-C 109.344 -0.613 . . . . 0.0 109.344 177.391 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 78' ' ' PRO . . . . . . . . . . . . . 37.0 Cg_exo -61.39 -13.29 28.15 Favored 'Trans proline' 0 C--N 1.347 0.468 0 C-N-CA 122.852 2.368 . . . . 0.0 111.77 177.171 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 79' ' ' GLN . . . . . . . . . . . . . 36.7 mt-30 -69.66 -21.42 63.53 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 115.154 -0.93 . . . . 0.0 110.357 175.871 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . 107.74 33.34 3.1 Favored Glycine 0 N--CA 1.448 -0.527 0 C-N-CA 120.981 -0.628 . . . . 0.0 112.293 -179.202 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 81' ' ' GLN . . . . . . . . . . . . . 98.8 mt-30 -127.58 141.26 51.68 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-O 120.845 0.355 . . . . 0.0 111.099 -178.024 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 82' ' ' ILE . . . . . . . . . . . . . 56.3 mt -103.36 99.43 8.39 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.708 0 N-CA-C 108.926 -0.768 . . . . 0.0 108.926 173.508 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 83' ' ' VAL . . . . . . . . . . . . . 41.4 t -110.3 129.54 65.17 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.638 0 CA-C-N 116.045 -0.525 . . . . 0.0 109.887 -178.16 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 84' ' ' LEU . . . . . . . . . . . . . 9.9 mp -82.07 145.77 30.01 Favored 'General case' 0 C--N 1.321 -0.664 0 CA-C-O 121.177 0.513 . . . . 0.0 111.026 -178.837 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 85' ' ' SER . . . . . . . . . . . . . 21.4 m -133.4 159.09 41.36 Favored 'General case' 0 C--N 1.319 -0.727 0 CA-C-N 115.681 -0.691 . . . . 0.0 109.633 -179.804 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 86' ' ' ARG . . . . . . . . . . . . . 56.2 ttt180 -100.7 103.13 14.38 Favored 'General case' 0 C--N 1.325 -0.478 0 CA-C-O 121.072 0.463 . . . . 0.0 110.735 -179.547 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 87' ' ' LEU . . . . . 0.452 HD13 ' HD2' ' A' ' 88' ' ' PRO . 3.6 mm? -96.03 142.91 25.23 Favored Pre-proline 0 C--N 1.321 -0.669 0 CA-C-N 115.791 -0.64 . . . . 0.0 110.121 177.789 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 88' ' ' PRO . . . . . 0.452 ' HD2' HD13 ' A' ' 87' ' ' LEU . 90.7 Cg_endo -77.09 -150.89 0.04 OUTLIER 'Trans proline' 0 CA--C 1.536 0.592 0 C-N-CA 123.077 2.518 . . . . 0.0 111.97 178.62 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 89' ' ' THR . . . . . . . . . . . . . 8.0 m -35.86 114.04 0.25 Allowed 'General case' 0 CA--C 1.532 0.269 0 C-N-CA 123.591 0.757 . . . . 0.0 112.477 176.607 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 90' ' ' ALA . . . . . . . . . . . . . . . -99.79 -179.72 4.26 Favored 'General case' 0 N--CA 1.451 -0.42 0 CA-C-N 116.017 -0.538 . . . . 0.0 110.463 -179.111 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 91' ' ' ASN . . . . . . . . . . . . . 6.6 p30 -58.18 -38.05 75.92 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-O 120.535 0.207 . . . . 0.0 110.811 -179.125 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 92' ' ' GLY . . . . . . . . . . . . . . . -70.96 -8.99 65.51 Favored Glycine 0 CA--C 1.52 0.348 0 C-N-CA 121.07 -0.586 . . . . 0.0 112.459 178.242 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 31.9 m-20 -102.4 -1.18 31.3 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-O 121.018 0.437 . . . . 0.0 110.132 177.356 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 94' ' ' GLY . . . . . . . . . . . . . . . 95.52 10.06 57.17 Favored Glycine 0 N--CA 1.449 -0.439 0 C-N-CA 120.907 -0.663 . . . . 0.0 112.293 -176.79 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 95' ' ' GLY . . . . . . . . . . . . . . . -107.65 61.87 0.31 Allowed Glycine 0 N--CA 1.448 -0.503 0 N-CA-C 111.54 -0.624 . . . . 0.0 111.54 177.473 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 96' ' ' ALA . . . . . . . . . . . . . . . -91.83 103.75 16.27 Favored 'General case' 0 C--N 1.322 -0.622 0 CA-C-O 120.658 0.265 . . . . 0.0 110.753 -179.095 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 97' ' ' LEU . . . . . 0.451 ' HG ' ' O ' ' A' ' 100' ' ' ASP . 6.2 mp 57.53 60.97 2.63 Favored 'General case' 0 CA--C 1.519 -0.221 0 CA-C-N 115.806 -0.634 . . . . 0.0 111.108 177.728 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 98' ' ' ALA . . . . . . . . . . . . . . . -65.67 -18.56 65.42 Favored 'General case' 0 C--N 1.328 -0.36 0 N-CA-C 108.376 -0.972 . . . . 0.0 108.376 168.574 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 99' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -149.09 -76.87 0.16 Allowed 'General case' 0 N--CA 1.442 -0.841 0 CA-C-N 114.237 -1.347 . . . . 0.0 109.064 173.996 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 100' ' ' ASP . . . . . 0.516 ' HB3' ' HA ' ' A' ' 105' ' ' LEU . 20.5 t70 -106.97 -73.38 0.69 Allowed 'General case' 0 C--N 1.328 -0.357 0 CA-C-O 121.265 0.555 . . . . 0.0 111.963 -174.925 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 64.2 m -102.89 -70.32 0.76 Allowed 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 115.76 -0.654 . . . . 0.0 110.787 179.793 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 102' ' ' LEU . . . . . . . . . . . . . 39.4 mt -114.28 -72.27 0.71 Allowed 'General case' 0 C--N 1.326 -0.414 0 N-CA-C 108.937 -0.764 . . . . 0.0 108.937 177.111 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 103' ' ' THR . . . . . . . . . . . . . 6.0 m -130.9 -45.03 1.05 Allowed 'General case' 0 C--N 1.323 -0.579 0 CA-C-N 115.378 -0.828 . . . . 0.0 109.096 173.818 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 104' ' ' VAL . . . . . . . . . . . . . 39.5 t -79.7 152.7 4.67 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 CA-C-N 115.004 -0.998 . . . . 0.0 110.21 178.529 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 105' ' ' LEU . . . . . 0.516 ' HA ' ' HB3' ' A' ' 100' ' ' ASP . 6.5 mp -89.28 130.36 35.69 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.459 -0.337 . . . . 0.0 110.284 178.475 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 106' ' ' GLY . . . . . . . . . . . . . . . 91.55 -56.58 3.08 Favored Glycine 0 N--CA 1.449 -0.486 0 C-N-CA 120.694 -0.765 . . . . 0.0 112.217 178.507 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 107' ' ' ALA . . . . . . . . . . . . . . . -88.16 115.54 25.72 Favored 'General case' 0 C--N 1.321 -0.643 0 CA-C-O 120.689 0.28 . . . . 0.0 110.301 178.663 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 108' ' ' GLY . . . . . . . . . . . . . . . -171.86 19.93 0.06 OUTLIER Glycine 0 N--CA 1.446 -0.67 0 C-N-CA 120.418 -0.896 . . . . 0.0 113.219 179.354 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 109' ' ' GLY . . . . . . . . . . . . . . . -87.94 98.21 2.38 Favored Glycine 0 N--CA 1.448 -0.559 0 C-N-CA 120.129 -1.034 . . . . 0.0 111.219 176.478 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 110' ' ' ASN . . . . . 0.4 HD22 ' HB3' ' A' ' 112' ' ' ALA . 4.5 p-10 -88.94 137.95 31.85 Favored 'General case' 0 C--N 1.324 -0.54 0 CA-C-O 121.234 0.54 . . . . 0.0 110.978 -175.754 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 111' ' ' ASN . . . . . 0.509 ' HA ' ' HA ' ' A' ' 64' ' ' ARG . 14.4 m120 -86.41 49.48 1.81 Allowed 'General case' 0 C--N 1.322 -0.595 0 CA-C-N 115.716 -0.675 . . . . 0.0 110.87 -179.274 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 112' ' ' ALA . . . . . 0.4 ' HB3' HD22 ' A' ' 110' ' ' ASN . . . . . . . . 0 C--O 1.249 1.052 0 CA-C-N 115.845 -0.616 . . . . 0.0 110.073 -178.455 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 19.1 m . . . . . 0 N--CA 1.476 0.832 0 N-CA-C 109.857 -0.423 . . . . 0.0 109.857 . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild full ' A' A ' 7' ' ' MET . . . . . . . . . . . . . 15.7 tpt -163.54 -40.39 0.03 OUTLIER 'General case' 0 C--N 1.327 -0.398 0 CA-C-O 120.825 0.345 . . . . 0.0 111.173 -177.407 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -62.8 -30.44 71.48 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.279 -0.419 . . . . 0.0 111.744 -176.342 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 9' ' ' GLN . . . . . . . . . . . . . 32.0 mm-40 -100.36 6.12 44.48 Favored 'General case' 0 C--N 1.325 -0.497 0 CA-C-O 120.734 0.302 . . . . 0.0 110.717 179.138 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -101.47 -51.21 3.53 Favored 'General case' 0 C--N 1.326 -0.413 0 CA-C-N 116.266 -0.425 . . . . 0.0 110.561 178.416 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -84.4 97.01 9.26 Favored 'General case' 0 C--N 1.324 -0.508 0 CA-C-N 116.019 -0.537 . . . . 0.0 110.262 179.363 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 8.5 tt0 -79.91 103.28 9.7 Favored 'General case' 0 C--N 1.323 -0.551 0 CA-C-N 116.141 -0.482 . . . . 0.0 110.425 -178.692 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 24.8 mt-30 -91.94 134.74 34.51 Favored 'General case' 0 C--N 1.322 -0.59 0 CA-C-N 115.98 -0.554 . . . . 0.0 109.784 178.242 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 14' ' ' LYS . . . . . 0.583 ' HB2' ' CE2' ' A' ' 16' ' ' PHE . 29.1 mmmt -108.72 149.32 29.17 Favored 'General case' 0 C--N 1.322 -0.612 0 N-CA-C 109.869 -0.419 . . . . 0.0 109.869 -175.307 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 15' ' ' ASN . . . . . . . . . . . . . 4.4 m-20 -80.44 99.45 8.0 Favored 'General case' 0 C--N 1.321 -0.673 0 CA-C-N 116.461 -0.336 . . . . 0.0 110.482 -178.781 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 16' ' ' PHE . . . . . 0.583 ' CE2' ' HB2' ' A' ' 14' ' ' LYS . 59.6 m-85 -103.18 136.97 41.98 Favored 'General case' 0 C--N 1.324 -0.542 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.039 -179.158 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 15.6 m120 -137.91 89.82 2.44 Favored 'General case' 0 C--N 1.325 -0.477 0 CA-C-N 115.74 -0.664 . . . . 0.0 109.733 179.42 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 18' ' ' ILE . . . . . 0.409 ' HB ' ' HB3' ' A' ' 53' ' ' LEU . 17.0 mm -112.65 110.05 30.8 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.689 0 CA-C-N 115.801 -0.636 . . . . 0.0 110.368 -175.362 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 19' ' ' ALA . . . . . 0.414 ' O ' ' HG3' ' A' ' 21' ' ' GLN . . . -67.45 158.45 31.78 Favored 'General case' 0 C--N 1.325 -0.486 0 N-CA-C 109.233 -0.654 . . . . 0.0 109.233 173.32 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -69.29 102.35 1.71 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 121.322 0.582 . . . . 0.0 110.714 -176.35 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 21' ' ' GLN . . . . . 0.414 ' HG3' ' O ' ' A' ' 19' ' ' ALA . 67.8 mt-30 -106.96 172.55 3.75 Favored Pre-proline 0 C--N 1.323 -0.584 0 CA-C-N 115.049 -0.978 . . . . 0.0 110.612 179.119 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 22' ' ' PRO . . . . . . . . . . . . . 35.0 Cg_exo -59.65 130.04 33.56 Favored 'Trans proline' 0 C--N 1.349 0.568 0 C-N-CA 121.857 1.705 . . . . 0.0 109.369 165.337 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -49.31 -43.51 43.54 Favored 'General case' 0 N--CA 1.469 0.495 0 N-CA-C 112.987 0.736 . . . . 0.0 112.987 -167.339 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 24' ' ' GLN . . . . . 0.574 ' O ' ' HG ' ' A' ' 28' ' ' LEU . 80.2 mt-30 -62.74 -50.24 71.87 Favored 'General case' 0 C--N 1.325 -0.47 0 CA-C-O 120.728 0.299 . . . . 0.0 110.696 -179.111 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 17.5 m -72.19 -25.37 61.65 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-O 120.985 0.421 . . . . 0.0 110.826 179.946 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -56.47 -54.8 41.47 Favored 'General case' 0 CA--C 1.512 -0.507 0 CA-C-N 115.611 -0.722 . . . . 0.0 111.213 179.489 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 27' ' ' MET . . . . . 0.633 ' HB2' ' CG1' ' A' ' 38' ' ' VAL . 18.9 mmt -78.41 -13.69 59.73 Favored 'General case' 0 C--N 1.318 -0.804 0 CA-C-N 115.207 -0.906 . . . . 0.0 111.058 -173.728 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 28' ' ' LEU . . . . . 0.574 ' HG ' ' O ' ' A' ' 24' ' ' GLN . 77.1 mt -70.47 -24.07 62.8 Favored 'General case' 0 C--N 1.324 -0.536 0 C-N-CA 119.998 -0.681 . . . . 0.0 109.289 172.59 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 29' ' ' ARG . . . . . 0.586 ' NE ' ' HA ' ' A' ' 29' ' ' ARG . 2.4 mmp_? -84.97 -50.46 7.46 Favored 'General case' 0 C--N 1.325 -0.484 0 CA-C-N 116.292 -0.413 . . . . 0.0 110.074 173.949 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 30' ' ' PHE . . . . . 0.449 ' HB3' ' HA ' ' A' ' 27' ' ' MET . 38.4 t80 -62.1 -55.93 23.93 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 115.833 -0.621 . . . . 0.0 111.648 179.896 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -72.29 -42.77 65.13 Favored 'General case' 0 C--N 1.322 -0.629 0 CA-C-N 116.141 -0.481 . . . . 0.0 112.103 -171.467 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 32' ' ' GLU . . . . . 0.485 ' HB2' ' O ' ' A' ' 28' ' ' LEU . 5.3 mm-40 -65.3 -22.72 66.87 Favored 'General case' 0 N--CA 1.465 0.316 0 C-N-CA 120.567 -0.453 . . . . 0.0 111.25 -176.66 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 33' ' ' GLN . . . . . . . . . . . . . 24.9 mm-40 -79.17 -29.49 43.02 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-O 120.992 0.425 . . . . 0.0 110.366 173.327 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -89.32 -9.85 48.95 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.006 -0.543 . . . . 0.0 111.546 179.624 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 97.32 27.79 9.01 Favored Glycine 0 CA--C 1.52 0.399 0 C-N-CA 121.059 -0.591 . . . . 0.0 112.704 178.851 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 36' ' ' MET . . . . . . . . . . . . . 71.8 mtm -136.69 175.56 9.5 Favored 'General case' 0 C--N 1.324 -0.522 0 C-N-CA 122.6 0.36 . . . . 0.0 110.392 -178.787 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 37' ' ' GLN . . . . . 0.513 ' O ' ' HA ' ' A' ' 81' ' ' GLN . 53.7 tt0 -152.57 160.95 43.18 Favored 'General case' 0 C--N 1.324 -0.537 0 N-CA-C 109.025 -0.731 . . . . 0.0 109.025 176.878 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 38' ' ' VAL . . . . . 0.633 ' CG1' ' HB2' ' A' ' 27' ' ' MET . 31.6 m -76.97 145.54 10.05 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.389 0 CA-C-O 120.806 0.336 . . . . 0.0 111.227 -176.578 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 39' ' ' PHE . . . . . 0.435 ' HB2' ' HB3' ' A' ' 81' ' ' GLN . 92.5 t80 -115.04 98.62 6.91 Favored 'General case' 0 C--N 1.324 -0.529 0 N-CA-C 109.645 -0.502 . . . . 0.0 109.645 174.683 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 40' ' ' PHE . . . . . . . . . . . . . 93.1 m-85 -146.92 137.1 23.48 Favored 'General case' 0 C--N 1.321 -0.649 0 CA-C-N 115.638 -0.71 . . . . 0.0 109.595 179.013 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 8.7 p-10 -83.77 -159.64 0.39 Allowed 'General case' 0 C--N 1.325 -0.475 0 N-CA-C 109.411 -0.588 . . . . 0.0 109.411 177.107 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 46.4 mt-10 -67.34 89.07 0.2 Allowed 'General case' 0 C--N 1.325 -0.458 0 CA-C-O 121.179 0.514 . . . . 0.0 110.599 179.208 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 43' ' ' VAL . . . . . . . . . . . . . 7.0 p -123.02 121.27 62.75 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.68 0 CA-C-N 115.806 -0.633 . . . . 0.0 109.613 177.849 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 27.1 ttpp -125.32 100.66 6.61 Favored 'General case' 0 C--N 1.318 -0.771 0 CA-C-N 115.962 -0.563 . . . . 0.0 110.145 -177.216 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 35.0 tp -131.55 120.06 22.37 Favored 'General case' 0 C--N 1.321 -0.636 0 CA-C-N 116.043 -0.526 . . . . 0.0 110.163 -178.164 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 32.3 t70 -72.81 120.37 18.34 Favored 'General case' 0 C--N 1.323 -0.56 0 CA-C-N 116.318 -0.401 . . . . 0.0 110.228 179.693 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 123.41 4.13 8.39 Favored Glycine 0 N--CA 1.443 -0.861 0 C-N-CA 120.71 -0.757 . . . . 0.0 112.317 -177.839 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 48' ' ' MET . . . . . . . . . . . . . 53.5 mtt -75.65 117.73 17.73 Favored 'General case' 0 C--N 1.327 -0.374 0 N-CA-C 109.703 -0.48 . . . . 0.0 109.703 174.727 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 3.6 pt20 -153.21 155.47 36.7 Favored 'General case' 0 C--N 1.322 -0.626 0 CA-C-N 116.491 -0.322 . . . . 0.0 110.327 -176.42 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -102.09 145.95 28.62 Favored 'General case' 0 C--N 1.32 -0.708 0 CA-C-N 116.123 -0.489 . . . . 0.0 110.464 178.849 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -78.17 160.52 27.95 Favored 'General case' 0 C--N 1.323 -0.573 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.281 177.067 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -69.3 92.68 0.59 Allowed 'General case' 0 C--N 1.327 -0.4 0 CA-C-O 121.173 0.511 . . . . 0.0 111.154 -178.5 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 53' ' ' LEU . . . . . 0.409 ' HB3' ' HB ' ' A' ' 18' ' ' ILE . 3.0 tm? -91.38 123.81 35.09 Favored 'General case' 0 C--N 1.324 -0.541 0 CA-C-N 115.572 -0.74 . . . . 0.0 109.802 -179.201 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 54' ' ' ASN . . . . . . . . . . . . . 20.3 p-10 -157.76 99.19 1.69 Allowed 'General case' 0 C--N 1.322 -0.596 0 CA-C-O 121.327 0.584 . . . . 0.0 110.49 176.43 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . 178.37 161.63 26.66 Favored Glycine 0 N--CA 1.445 -0.766 0 C-N-CA 120.335 -0.935 . . . . 0.0 112.624 179.29 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 4.0 p -84.08 99.71 10.64 Favored 'General case' 0 C--N 1.321 -0.651 0 CA-C-O 121.13 0.49 . . . . 0.0 109.772 174.211 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 57' ' ' MET . . . . . 0.46 ' HB2' ' HB2' ' A' ' 61' ' ' GLN . 23.1 ptp -155.2 168.52 26.78 Favored 'General case' 0 C--N 1.322 -0.616 0 CA-C-N 115.922 -0.581 . . . . 0.0 110.146 -174.483 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 13.3 m -99.2 178.0 5.04 Favored 'General case' 0 C--N 1.322 -0.619 0 CA-C-N 116.45 -0.341 . . . . 0.0 110.552 179.789 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 59' ' ' VAL . . . . . . . . . . . . . 24.9 t -58.85 -40.46 80.08 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.293 0 CA-C-O 120.585 0.231 . . . . 0.0 111.152 -175.774 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 22.3 mm-40 -51.67 -38.4 54.78 Favored 'General case' 0 C--N 1.331 -0.213 0 CA-C-N 115.912 -0.585 . . . . 0.0 111.589 178.671 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 61' ' ' GLN . . . . . 0.46 ' HB2' ' HB2' ' A' ' 57' ' ' MET . 32.0 mt-30 -90.95 -47.46 7.57 Favored 'General case' 0 C--N 1.323 -0.577 0 CA-C-N 115.721 -0.672 . . . . 0.0 110.49 -177.555 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 62' ' ' GLY . . . . . 0.452 ' O ' ' HB2' ' A' ' 66' ' ' LEU . . . -63.88 -59.92 7.97 Favored Glycine 0 C--O 1.225 -0.418 0 CA-C-N 115.303 -0.862 . . . . 0.0 113.034 -174.789 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 63' ' ' LEU . . . . . 0.469 ' O ' HD13 ' A' ' 63' ' ' LEU . 1.3 tm? -56.73 -38.16 71.98 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-O 121.386 0.612 . . . . 0.0 109.782 -177.478 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 64' ' ' ARG . . . . . 0.537 ' HG3' ' O ' ' A' ' 110' ' ' ASN . 47.4 ttt180 -51.12 -60.14 3.42 Favored 'General case' 0 N--CA 1.446 -0.666 0 CA-C-N 114.9 -1.046 . . . . 0.0 111.446 177.92 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 65' ' ' ARG . . . . . . . . . . . . . 96.7 mtt180 -77.46 -22.31 51.59 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 116.373 -0.376 . . . . 0.0 111.294 -178.236 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 66' ' ' LEU . . . . . 0.452 ' HB2' ' O ' ' A' ' 62' ' ' GLY . 1.0 OUTLIER -65.5 -41.53 93.14 Favored 'General case' 0 C--N 1.323 -0.554 0 CA-C-N 115.872 -0.603 . . . . 0.0 112.247 -176.122 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 67' ' ' ILE . . . . . 0.49 ' HB ' ' ND2' ' A' ' 111' ' ' ASN . 13.8 mt -90.05 -63.56 1.34 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 N-CA-C 113.541 0.941 . . . . 0.0 113.541 -170.819 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . -113.51 -61.61 0.42 Allowed Glycine 0 N--CA 1.448 -0.531 0 C-N-CA 119.095 -1.526 . . . . 0.0 114.563 -169.042 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . 91.16 -20.71 38.54 Favored Glycine 0 N--CA 1.45 -0.368 0 N-CA-C 109.885 -1.286 . . . . 0.0 109.885 -166.136 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 70' ' ' ASN . . . . . . . . . . . . . 16.7 m120 -101.54 155.91 35.81 Favored Pre-proline 0 C--N 1.329 -0.306 0 CA-C-N 114.77 -0.715 . . . . 0.0 109.595 176.153 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 71' ' ' PRO . . . . . . . . . . . . . 30.7 Cg_endo -64.69 98.21 0.29 Allowed 'Trans proline' 0 C--N 1.346 0.414 0 C-N-CA 122.625 2.217 . . . . 0.0 113.515 -177.861 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 72' ' ' VAL . . . . . 0.474 ' O ' ' HA ' ' A' ' 110' ' ' ASN . 0.2 OUTLIER -138.3 159.8 32.12 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.4 0 N-CA-C 107.01 -1.478 . . . . 0.0 107.01 171.977 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 73' ' ' ALA . . . . . 0.411 ' HB3' HD23 ' A' ' 87' ' ' LEU . . . -113.71 119.26 36.78 Favored 'General case' 0 C--N 1.325 -0.483 0 CA-C-N 118.697 0.681 . . . . 0.0 112.23 -168.85 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 74' ' ' PHE . . . . . 0.467 ' CD2' HD12 ' A' ' 63' ' ' LEU . 35.3 p90 -113.27 151.47 31.06 Favored 'General case' 0 C--N 1.322 -0.6 0 N-CA-C 109.682 -0.488 . . . . 0.0 109.682 177.317 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 75' ' ' ARG . . . . . . . . . . . . . 20.4 ptp180 -136.74 137.68 40.15 Favored 'General case' 0 C--N 1.325 -0.496 0 C-N-CA 120.626 -0.429 . . . . 0.0 110.442 -179.824 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 76' ' ' LEU . . . . . 0.449 HD12 HG12 ' A' ' 82' ' ' ILE . 1.8 mm? -95.83 103.52 15.41 Favored 'General case' 0 C--N 1.323 -0.549 0 N-CA-C 109.389 -0.597 . . . . 0.0 109.389 179.008 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 77' ' ' GLN . . . . . . . . . . . . . 11.9 mm100 -67.96 144.29 97.01 Favored Pre-proline 0 C--N 1.323 -0.578 0 CA-C-N 116.367 -0.378 . . . . 0.0 110.331 -178.725 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 78' ' ' PRO . . . . . . . . . . . . . 35.1 Cg_endo -64.98 -7.13 14.31 Favored 'Trans proline' 0 C--N 1.349 0.569 0 C-N-CA 123.165 2.577 . . . . 0.0 112.984 -174.826 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 79' ' ' GLN . . . . . . . . . . . . . 24.9 mt-30 -86.92 -3.25 59.06 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-O 121.246 0.546 . . . . 0.0 110.004 175.389 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . 86.8 49.15 4.18 Favored Glycine 0 N--CA 1.443 -0.873 0 CA-C-N 115.622 -0.717 . . . . 0.0 111.64 -177.618 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 81' ' ' GLN . . . . . 0.513 ' HA ' ' O ' ' A' ' 37' ' ' GLN . 35.8 mt-30 -126.91 136.34 52.17 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-O 120.789 0.328 . . . . 0.0 110.903 -178.287 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 82' ' ' ILE . . . . . 0.449 HG12 HD12 ' A' ' 76' ' ' LEU . 39.9 mt -102.22 118.19 48.7 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.617 0 CA-C-N 115.967 -0.561 . . . . 0.0 109.764 175.542 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 83' ' ' VAL . . . . . . . . . . . . . 12.5 p -134.21 140.98 44.96 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.592 0 CA-C-O 121.069 0.461 . . . . 0.0 110.527 178.641 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 84' ' ' LEU . . . . . 0.48 HD23 ' N ' ' A' ' 85' ' ' SER . 1.6 tt -108.82 135.02 50.72 Favored 'General case' 0 N--CA 1.444 -0.765 0 N-CA-C 109.185 -0.672 . . . . 0.0 109.185 -177.415 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 85' ' ' SER . . . . . 0.48 ' N ' HD23 ' A' ' 84' ' ' LEU . 10.9 p -122.21 128.37 51.1 Favored 'General case' 0 C--N 1.322 -0.63 0 N-CA-C 109.592 -0.521 . . . . 0.0 109.592 179.353 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 86' ' ' ARG . . . . . . . . . . . . . 50.5 ttp180 -88.53 95.15 10.12 Favored 'General case' 0 C--N 1.322 -0.616 0 CA-C-O 121.266 0.555 . . . . 0.0 110.633 -176.949 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 87' ' ' LEU . . . . . 0.466 ' HB3' HD21 ' A' ' 102' ' ' LEU . 3.2 mm? -93.59 152.59 40.98 Favored Pre-proline 0 C--N 1.32 -0.683 0 CA-C-N 115.55 -0.75 . . . . 0.0 109.813 175.722 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 88' ' ' PRO . . . . . . . . . . . . . 15.4 Cg_exo -69.28 -161.12 0.07 OUTLIER 'Trans proline' 0 C--N 1.347 0.493 0 C-N-CA 122.987 2.458 . . . . 0.0 113.016 -178.691 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 89' ' ' THR . . . . . . . . . . . . . 52.0 m -66.55 102.7 0.93 Allowed 'General case' 0 C--N 1.327 -0.38 0 CA-C-O 121.106 0.479 . . . . 0.0 110.975 -179.111 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 90' ' ' ALA . . . . . . . . . . . . . . . -71.45 139.55 49.69 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-N 115.944 -0.571 . . . . 0.0 110.967 -179.25 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 91' ' ' ASN . . . . . . . . . . . . . 13.8 m120 -107.98 5.96 26.7 Favored 'General case' 0 C--N 1.325 -0.482 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.935 -178.132 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 92' ' ' GLY . . . . . 0.409 ' HA3' ' OG1' ' A' ' 103' ' ' THR . . . -65.79 6.1 1.54 Allowed Glycine 0 CA--C 1.524 0.652 0 CA-C-N 115.945 -0.57 . . . . 0.0 113.803 -176.733 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 9.1 p-10 -89.19 -1.73 58.2 Favored 'General case' 0 C--N 1.324 -0.508 0 CA-C-O 121.252 0.548 . . . . 0.0 109.767 174.741 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 94' ' ' GLY . . . . . . . . . . . . . . . 92.97 19.08 37.73 Favored Glycine 0 N--CA 1.448 -0.564 0 CA-C-N 115.647 -0.706 . . . . 0.0 111.477 -176.542 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 95' ' ' GLY . . . . . . . . . . . . . . . -78.06 -41.17 18.71 Favored Glycine 0 N--CA 1.448 -0.515 0 C-N-CA 120.927 -0.654 . . . . 0.0 112.987 -177.774 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 96' ' ' ALA . . . . . . . . . . . . . . . -162.46 168.13 22.47 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-O 120.789 0.328 . . . . 0.0 110.864 -176.929 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 97' ' ' LEU . . . . . . . . . . . . . 93.3 mt -101.87 22.76 12.44 Favored 'General case' 0 C--N 1.324 -0.536 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.894 -179.213 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 98' ' ' ALA . . . . . . . . . . . . . . . -81.53 -64.34 1.2 Allowed 'General case' 0 C--N 1.323 -0.583 0 CA-C-O 121.139 0.495 . . . . 0.0 109.826 176.109 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 99' ' ' LEU . . . . . . . . . . . . . 84.4 mt -118.05 47.96 1.49 Allowed 'General case' 0 C--N 1.323 -0.556 0 CA-C-N 115.658 -0.701 . . . . 0.0 110.281 179.488 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 100' ' ' ASP . . . . . . . . . . . . . 10.8 p-10 -75.93 -31.83 59.31 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.325 -0.398 . . . . 0.0 111.154 -178.121 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 33.8 m -86.34 0.7 53.37 Favored 'General case' 0 C--N 1.325 -0.472 0 CA-C-O 120.929 0.395 . . . . 0.0 111.092 179.746 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 102' ' ' LEU . . . . . 0.466 HD21 ' HB3' ' A' ' 87' ' ' LEU . 36.0 tp -65.82 -30.65 71.31 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.906 -178.249 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 103' ' ' THR . . . . . 0.409 ' OG1' ' HA3' ' A' ' 92' ' ' GLY . 7.1 p -79.7 -17.86 52.65 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.151 179.675 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 104' ' ' VAL . . . . . . . . . . . . . 46.4 t -78.56 89.66 1.22 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.422 0 CA-C-N 116.029 -0.532 . . . . 0.0 110.057 -179.803 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 105' ' ' LEU . . . . . . . . . . . . . 62.4 tp -117.62 -19.64 9.3 Favored 'General case' 0 C--N 1.321 -0.643 0 CA-C-N 115.764 -0.653 . . . . 0.0 110.411 -179.481 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 106' ' ' GLY . . . . . . . . . . . . . . . 81.18 -89.11 1.37 Allowed Glycine 0 N--CA 1.446 -0.662 0 C-N-CA 120.677 -0.773 . . . . 0.0 111.568 -176.902 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 107' ' ' ALA . . . . . . . . . . . . . . . -88.56 111.64 22.11 Favored 'General case' 0 C--N 1.323 -0.565 0 N-CA-C 110.146 -0.316 . . . . 0.0 110.146 177.345 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 108' ' ' GLY . . . . . . . . . . . . . . . 132.81 174.27 13.56 Favored Glycine 0 N--CA 1.447 -0.587 0 C-N-CA 120.907 -0.663 . . . . 0.0 111.749 -177.791 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 109' ' ' GLY . . . . . . . . . . . . . . . -159.84 -160.65 10.67 Favored Glycine 0 N--CA 1.448 -0.528 0 C-N-CA 120.869 -0.681 . . . . 0.0 112.066 -178.178 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 110' ' ' ASN . . . . . 0.537 ' O ' ' HG3' ' A' ' 64' ' ' ARG . 9.4 p30 -124.38 153.69 41.48 Favored 'General case' 0 C--N 1.324 -0.533 0 CA-C-O 120.609 0.242 . . . . 0.0 110.402 -179.395 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 111' ' ' ASN . . . . . 0.49 ' ND2' ' HB ' ' A' ' 67' ' ' ILE . 18.4 m120 -88.55 21.67 2.86 Favored 'General case' 0 C--N 1.327 -0.373 0 N-CA-C 112.279 0.474 . . . . 0.0 112.279 -175.408 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 112' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.246 0.904 0 CA-C-O 118.278 -0.867 . . . . 0.0 110.753 -179.509 . . . . . . . . 0 0 . 1 . 014 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 14.7 p . . . . . 0 N--CA 1.479 0.994 0 CA-C-O 120.786 0.327 . . . . 0.0 111.493 . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild full ' A' A ' 7' ' ' MET . . . . . . . . . . . . . 64.2 mtt -120.64 43.65 2.69 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-O 120.91 0.386 . . . . 0.0 110.541 179.002 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -64.8 -41.18 96.02 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 116.125 -0.489 . . . . 0.0 111.359 -177.796 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 9' ' ' GLN . . . . . . . . . . . . . 23.0 mt-30 -75.67 -31.35 59.73 Favored 'General case' 0 C--N 1.325 -0.473 0 CA-C-N 116.345 -0.389 . . . . 0.0 110.75 -177.295 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -75.17 -23.02 57.69 Favored 'General case' 0 C--N 1.325 -0.467 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.834 178.14 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . 64.16 -171.99 0.18 Allowed 'General case' 0 C--O 1.233 0.227 0 CA-C-N 115.436 -0.802 . . . . 0.0 111.349 178.355 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 10.7 pt20 -112.02 99.66 8.26 Favored 'General case' 0 C--N 1.322 -0.619 0 CA-C-N 115.88 -0.6 . . . . 0.0 110.139 177.432 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 26.8 mt-30 -96.03 117.22 30.24 Favored 'General case' 0 C--N 1.321 -0.673 0 CA-C-O 121.05 0.452 . . . . 0.0 110.604 178.556 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 14' ' ' LYS . . . . . 0.476 ' HB2' ' CE2' ' A' ' 16' ' ' PHE . 46.0 mmtm -109.85 146.37 35.19 Favored 'General case' 0 C--N 1.315 -0.904 0 CA-C-N 115.63 -0.714 . . . . 0.0 109.646 176.204 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 15' ' ' ASN . . . . . . . . . . . . . 4.8 m-20 -80.0 103.25 9.76 Favored 'General case' 0 C--N 1.322 -0.587 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.244 179.973 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 16' ' ' PHE . . . . . 0.476 ' CE2' ' HB2' ' A' ' 14' ' ' LYS . 68.2 m-85 -109.68 132.59 54.01 Favored 'General case' 0 C--N 1.321 -0.657 0 CA-C-N 115.851 -0.613 . . . . 0.0 110.745 -179.548 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 48.5 t-20 -143.07 100.56 3.66 Favored 'General case' 0 C--N 1.322 -0.615 0 N-CA-C 108.735 -0.839 . . . . 0.0 108.735 173.777 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 18' ' ' ILE . . . . . . . . . . . . . 5.6 mt -123.46 110.06 25.04 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.648 0 CA-C-N 116.065 -0.516 . . . . 0.0 110.42 -176.266 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -63.85 147.65 51.31 Favored 'General case' 0 C--N 1.326 -0.427 0 N-CA-C 108.991 -0.744 . . . . 0.0 108.991 172.333 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -63.36 103.41 0.5 Allowed 'General case' 0 C--N 1.33 -0.254 0 CA-C-O 121.602 0.715 . . . . 0.0 111.248 -173.383 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 21' ' ' GLN . . . . . 0.406 ' HB3' ' HD2' ' A' ' 22' ' ' PRO . 38.8 mt-30 -106.38 172.57 3.8 Favored Pre-proline 0 C--N 1.317 -0.821 0 CA-C-N 114.727 -1.124 . . . . 0.0 109.953 175.685 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 22' ' ' PRO . . . . . 0.406 ' HD2' ' HB3' ' A' ' 21' ' ' GLN . 69.7 Cg_exo -52.66 135.01 55.47 Favored 'Trans proline' 0 C--N 1.345 0.393 0 C-N-CA 121.819 1.68 . . . . 0.0 109.867 166.327 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -55.07 -34.58 63.73 Favored 'General case' 0 N--CA 1.463 0.21 0 CA-C-N 115.385 -0.825 . . . . 0.0 112.148 -168.35 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 18.1 mp0 -65.07 -47.0 78.83 Favored 'General case' 0 C--N 1.325 -0.462 0 CA-C-O 120.987 0.422 . . . . 0.0 110.174 179.718 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 12.7 m -74.81 -30.54 61.44 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-N 115.717 -0.674 . . . . 0.0 110.864 -178.404 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -56.78 -57.95 10.21 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 115.93 -0.577 . . . . 0.0 111.253 -179.268 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 27' ' ' MET . . . . . 0.641 ' HE3' ' HB3' ' A' ' 66' ' ' LEU . 10.8 mmt -82.73 -14.08 55.18 Favored 'General case' 0 CA--C 1.507 -0.676 0 CA-C-N 116.03 -0.532 . . . . 0.0 110.274 -177.409 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 28' ' ' LEU . . . . . 0.62 ' O ' ' HG3' ' A' ' 32' ' ' GLU . 9.7 tt -61.42 -47.83 83.96 Favored 'General case' 0 C--N 1.322 -0.596 0 N-CA-C 107.833 -1.173 . . . . 0.0 107.833 169.279 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 29' ' ' ARG . . . . . 0.437 ' HD3' ' OE1' ' A' ' 32' ' ' GLU . 25.7 mmt180 -64.03 -47.19 81.22 Favored 'General case' 0 C--N 1.331 -0.213 0 CA-C-N 116.035 -0.53 . . . . 0.0 111.596 178.791 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 30' ' ' PHE . . . . . 0.442 ' CE2' HD21 ' A' ' 63' ' ' LEU . 6.3 t80 -61.69 -56.21 22.18 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-O 121.133 0.492 . . . . 0.0 110.848 177.695 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 31' ' ' ALA . . . . . 0.405 ' HB1' ' HB2' ' A' ' 36' ' ' MET . . . -68.33 -17.45 64.26 Favored 'General case' 0 C--N 1.324 -0.529 0 CA-C-N 115.847 -0.615 . . . . 0.0 111.208 -174.053 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 32' ' ' GLU . . . . . 0.62 ' HG3' ' O ' ' A' ' 28' ' ' LEU . 18.9 mt-10 -55.86 -31.97 63.24 Favored 'General case' 0 N--CA 1.47 0.536 0 CA-C-O 120.95 0.405 . . . . 0.0 110.737 171.971 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 33' ' ' GLN . . . . . . . . . . . . . 70.7 mt-30 -84.19 -33.2 24.22 Favored 'General case' 0 C--N 1.325 -0.478 0 CA-C-O 121.011 0.434 . . . . 0.0 110.671 -179.315 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -85.22 -26.12 26.91 Favored 'General case' 0 C--N 1.323 -0.557 0 CA-C-N 115.932 -0.577 . . . . 0.0 111.829 -175.046 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 100.1 33.3 5.25 Favored Glycine 0 N--CA 1.45 -0.418 0 C-N-CA 121.138 -0.553 . . . . 0.0 112.08 -179.299 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 36' ' ' MET . . . . . 0.405 ' HB2' ' HB1' ' A' ' 31' ' ' ALA . 1.1 mpp? -135.5 176.65 8.49 Favored 'General case' 0 C--N 1.323 -0.55 0 CA-C-O 120.896 0.379 . . . . 0.0 110.832 -175.573 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 37' ' ' GLN . . . . . . . . . . . . . 36.0 tt0 -150.41 159.98 44.08 Favored 'General case' 0 C--N 1.323 -0.56 0 N-CA-C 108.985 -0.746 . . . . 0.0 108.985 177.461 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 38' ' ' VAL . . . . . 0.585 ' CG2' ' HB2' ' A' ' 27' ' ' MET . 60.1 t -77.44 133.13 31.31 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-O 120.666 0.27 . . . . 0.0 110.504 -178.241 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 39' ' ' PHE . . . . . . . . . . . . . 85.0 t80 -119.59 125.49 48.91 Favored 'General case' 0 C--N 1.326 -0.428 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.861 -179.885 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 40' ' ' PHE . . . . . . . . . . . . . 8.0 m-85 -90.31 101.06 13.78 Favored 'General case' 0 C--N 1.321 -0.638 0 CA-C-N 115.782 -0.644 . . . . 0.0 110.511 177.712 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 26.7 t70 -82.94 -67.79 0.76 Allowed 'General case' 0 C--N 1.326 -0.415 0 N-CA-C 109.634 -0.506 . . . . 0.0 109.634 177.381 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 42.0 mt-10 -136.79 87.79 2.32 Favored 'General case' 0 C--N 1.321 -0.642 0 CA-C-N 115.944 -0.571 . . . . 0.0 109.762 172.594 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 43' ' ' VAL . . . . . . . . . . . . . 5.1 p -165.04 119.83 0.12 Allowed 'Isoleucine or valine' 0 C--N 1.319 -0.728 0 CA-C-O 121.351 0.596 . . . . 0.0 110.834 179.433 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 26.9 ttpp -126.52 90.67 3.21 Favored 'General case' 0 C--N 1.321 -0.652 0 CA-C-N 115.627 -0.715 . . . . 0.0 109.584 177.521 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 89.1 mt -129.52 99.14 5.07 Favored 'General case' 0 C--N 1.32 -0.701 0 CA-C-N 115.95 -0.568 . . . . 0.0 109.952 -179.718 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 6.9 p-10 -73.63 131.15 41.37 Favored 'General case' 0 C--N 1.322 -0.587 0 N-CA-C 109.638 -0.504 . . . . 0.0 109.638 177.355 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 87.37 21.96 46.26 Favored Glycine 0 N--CA 1.445 -0.727 0 C-N-CA 120.5 -0.857 . . . . 0.0 112.189 -178.498 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 48' ' ' MET . . . . . . . . . . . . . 13.3 ptp -70.08 133.85 47.6 Favored 'General case' 0 C--O 1.234 0.252 0 CA-C-O 120.921 0.391 . . . . 0.0 110.407 177.891 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 79.1 mt-30 -132.04 165.57 23.69 Favored 'General case' 0 C--N 1.322 -0.587 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.88 -176.249 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -107.46 167.36 9.99 Favored 'General case' 0 C--N 1.321 -0.631 0 CA-C-N 115.77 -0.65 . . . . 0.0 110.111 177.871 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -86.93 167.81 13.95 Favored 'General case' 0 C--N 1.323 -0.544 0 CA-C-N 116.318 -0.401 . . . . 0.0 110.721 179.578 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -74.66 89.24 2.23 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-O 121.274 0.559 . . . . 0.0 110.769 -179.571 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 53' ' ' LEU . . . . . 0.439 ' HG ' ' HG ' ' A' ' 66' ' ' LEU . 2.8 tm? -80.3 123.24 27.81 Favored 'General case' 0 C--N 1.32 -0.689 0 CA-C-N 115.423 -0.808 . . . . 0.0 110.177 -178.065 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 54' ' ' ASN . . . . . . . . . . . . . 44.7 t30 -154.32 99.47 2.21 Favored 'General case' 0 C--N 1.322 -0.587 0 N-CA-C 109.91 -0.404 . . . . 0.0 109.91 174.442 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . 177.45 162.32 27.45 Favored Glycine 0 N--CA 1.447 -0.63 0 C-N-CA 120.342 -0.932 . . . . 0.0 112.818 178.548 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 12.6 p -94.07 113.28 25.22 Favored 'General case' 0 C--N 1.321 -0.636 0 N-CA-C 109.344 -0.613 . . . . 0.0 109.344 173.373 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 57' ' ' MET . . . . . 0.603 ' SD ' ' HA2' ' A' ' 62' ' ' GLY . 19.3 ptp -157.85 -178.96 7.7 Favored 'General case' 0 C--N 1.324 -0.537 0 CA-C-N 116.498 -0.319 . . . . 0.0 110.79 -172.994 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 14.7 m -96.09 170.43 9.28 Favored 'General case' 0 C--N 1.325 -0.477 0 CA-C-N 116.368 -0.378 . . . . 0.0 110.067 179.322 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 59' ' ' VAL . . . . . . . . . . . . . 70.9 t -54.17 -49.6 61.2 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.295 0 CA-C-O 120.796 0.332 . . . . 0.0 110.971 -179.575 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 60' ' ' GLU . . . . . 0.48 ' O ' ' HG3' ' A' ' 64' ' ' ARG . 46.8 mt-10 -53.74 -56.86 13.65 Favored 'General case' 0 C--N 1.324 -0.536 0 CA-C-N 115.595 -0.729 . . . . 0.0 111.454 -179.515 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 61' ' ' GLN . . . . . . . . . . . . . 26.8 mt-30 -63.94 -37.1 86.18 Favored 'General case' 0 C--N 1.326 -0.428 0 CA-C-N 115.992 -0.549 . . . . 0.0 111.102 -179.1 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 62' ' ' GLY . . . . . 0.603 ' HA2' ' SD ' ' A' ' 57' ' ' MET . . . -62.47 -53.42 41.9 Favored Glycine 0 N--CA 1.447 -0.631 0 CA-C-N 115.792 -0.64 . . . . 0.0 112.454 -178.931 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 63' ' ' LEU . . . . . 0.442 HD21 ' CE2' ' A' ' 30' ' ' PHE . 4.1 mm? -59.33 -38.98 81.71 Favored 'General case' 0 C--N 1.325 -0.479 0 N-CA-C 111.809 0.3 . . . . 0.0 111.809 -177.967 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 64' ' ' ARG . . . . . 0.538 ' HA ' ' HA ' ' A' ' 111' ' ' ASN . 75.0 mtp180 -56.14 -44.98 79.73 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 116.006 -0.543 . . . . 0.0 111.511 178.785 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 65' ' ' ARG . . . . . . . . . . . . . 67.8 ttt180 -80.18 -29.62 38.7 Favored 'General case' 0 C--N 1.322 -0.613 0 CA-C-O 121.104 0.478 . . . . 0.0 110.614 177.841 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 66' ' ' LEU . . . . . 0.641 ' HB3' ' HE3' ' A' ' 27' ' ' MET . 3.5 mt -70.78 -48.85 52.12 Favored 'General case' 0 C--N 1.322 -0.596 0 CA-C-N 115.617 -0.72 . . . . 0.0 112.803 -174.871 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 67' ' ' ILE . . . . . . . . . . . . . 60.9 mt -88.54 -65.25 0.98 Allowed 'Isoleucine or valine' 0 C--N 1.331 -0.226 0 N-CA-C 113.359 0.874 . . . . 0.0 113.359 -170.255 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . -114.36 -62.17 0.4 Allowed Glycine 0 N--CA 1.448 -0.534 0 C-N-CA 119.046 -1.549 . . . . 0.0 115.475 -165.838 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . 85.63 -21.11 15.3 Favored Glycine 0 N--CA 1.449 -0.462 0 N-CA-C 109.846 -1.301 . . . . 0.0 109.846 -164.339 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 70' ' ' ASN . . . . . . . . . . . . . 9.0 p30 -101.71 154.13 37.49 Favored Pre-proline 0 C--N 1.329 -0.325 0 CA-C-N 114.748 -0.726 . . . . 0.0 109.299 174.542 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 71' ' ' PRO . . . . . . . . . . . . . 29.5 Cg_endo -63.73 98.59 0.24 Allowed 'Trans proline' 0 C--N 1.347 0.487 0 C-N-CA 122.461 2.107 . . . . 0.0 113.051 -177.232 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 72' ' ' VAL . . . . . 0.414 HG13 HD22 ' A' ' 111' ' ' ASN . 14.2 p -144.1 145.22 22.01 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.57 0 N-CA-C 107.779 -1.193 . . . . 0.0 107.779 173.606 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 73' ' ' ALA . . . . . 0.58 ' HA ' ' O ' ' A' ' 109' ' ' GLY . . . -97.45 139.69 33.01 Favored 'General case' 0 C--N 1.321 -0.672 0 CA-C-O 121.001 0.429 . . . . 0.0 112.107 -167.231 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 74' ' ' PHE . . . . . 0.414 ' HB3' HD21 ' A' ' 111' ' ' ASN . 5.5 p90 -123.4 131.42 53.64 Favored 'General case' 0 C--N 1.323 -0.568 0 CA-C-N 115.874 -0.603 . . . . 0.0 109.751 174.907 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 75' ' ' ARG . . . . . . . . . . . . . 76.7 mtp180 -110.48 114.91 28.7 Favored 'General case' 0 C--N 1.32 -0.676 0 CA-C-O 120.991 0.424 . . . . 0.0 110.63 -179.626 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 76' ' ' LEU . . . . . . . . . . . . . 46.3 mt -86.32 99.26 11.46 Favored 'General case' 0 C--N 1.322 -0.618 0 CA-C-N 115.588 -0.733 . . . . 0.0 109.685 179.388 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 77' ' ' GLN . . . . . . . . . . . . . 88.2 mt-30 -104.88 132.4 20.92 Favored Pre-proline 0 C--N 1.323 -0.586 0 CA-C-O 120.868 0.366 . . . . 0.0 111.21 -175.886 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 78' ' ' PRO . . . . . . . . . . . . . 37.7 Cg_endo -65.74 -5.23 11.36 Favored 'Trans proline' 0 C--N 1.347 0.487 0 C-N-CA 123.446 2.764 . . . . 0.0 112.394 -178.455 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 79' ' ' GLN . . . . . . . . . . . . . 78.8 mt-30 -67.05 -12.39 59.78 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 115.909 -0.587 . . . . 0.0 110.251 174.299 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . 99.13 34.52 5.09 Favored Glycine 0 N--CA 1.445 -0.726 0 CA-C-N 115.771 -0.65 . . . . 0.0 112.343 177.224 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 81' ' ' GLN . . . . . . . . . . . . . 30.0 pt20 -147.84 146.69 29.2 Favored 'General case' 0 C--N 1.325 -0.488 0 CA-C-O 121.126 0.489 . . . . 0.0 111.431 -177.338 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 82' ' ' ILE . . . . . . . . . . . . . 51.3 mt -105.56 99.8 9.24 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.594 0 N-CA-C 108.575 -0.898 . . . . 0.0 108.575 173.172 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 83' ' ' VAL . . . . . . . . . . . . . 57.2 t -88.46 118.6 34.28 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.646 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.595 -176.352 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 84' ' ' LEU . . . . . . . . . . . . . 19.3 tp -79.07 137.89 37.73 Favored 'General case' 0 C--N 1.323 -0.547 0 N-CA-C 109.111 -0.7 . . . . 0.0 109.111 175.547 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 85' ' ' SER . . . . . . . . . . . . . 50.0 m -142.47 167.23 22.58 Favored 'General case' 0 C--N 1.318 -0.797 0 CA-C-O 120.741 0.305 . . . . 0.0 110.253 -176.904 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 86' ' ' ARG . . . . . . . . . . . . . 38.1 ptt180 -106.49 164.67 11.86 Favored 'General case' 0 N--CA 1.445 -0.701 0 CA-C-N 116.429 -0.35 . . . . 0.0 110.357 179.643 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 87' ' ' LEU . . . . . 0.425 ' N ' HD23 ' A' ' 87' ' ' LEU . 1.5 pt? -136.63 146.29 54.87 Favored Pre-proline 0 C--N 1.319 -0.731 0 CA-C-N 115.945 -0.57 . . . . 0.0 109.894 -179.883 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 88' ' ' PRO . . . . . . . . . . . . . 58.9 Cg_endo -73.24 64.61 4.37 Favored 'Trans proline' 0 CA--C 1.531 0.368 0 C-N-CA 122.577 2.185 . . . . 0.0 112.089 178.441 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 89' ' ' THR . . . . . 0.406 ' OG1' ' HG ' ' A' ' 87' ' ' LEU . 4.1 m -64.99 107.01 1.37 Allowed 'General case' 0 C--N 1.326 -0.432 0 CA-C-N 115.777 -0.647 . . . . 0.0 111.388 -177.931 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 90' ' ' ALA . . . . . . . . . . . . . . . -87.24 168.64 13.02 Favored 'General case' 0 C--N 1.323 -0.574 0 CA-C-N 115.975 -0.557 . . . . 0.0 110.22 177.812 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 91' ' ' ASN . . . . . . . . . . . . . 21.2 t-20 -124.48 -23.06 4.51 Favored 'General case' 0 C--N 1.32 -0.674 0 CA-C-N 116.019 -0.537 . . . . 0.0 110.37 179.213 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 92' ' ' GLY . . . . . . . . . . . . . . . -100.75 7.24 57.49 Favored Glycine 0 N--CA 1.449 -0.448 0 C-N-CA 120.637 -0.792 . . . . 0.0 112.694 -178.715 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 7.1 p-10 -80.13 -23.6 41.06 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-O 121.049 0.452 . . . . 0.0 110.605 -178.994 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 94' ' ' GLY . . . . . . . . . . . . . . . 74.91 25.48 69.22 Favored Glycine 0 N--CA 1.449 -0.445 0 CA-C-N 115.656 -0.702 . . . . 0.0 112.708 176.403 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 95' ' ' GLY . . . . . . . . . . . . . . . 78.03 42.88 15.01 Favored Glycine 0 N--CA 1.446 -0.646 0 C-N-CA 120.842 -0.694 . . . . 0.0 111.91 179.835 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 96' ' ' ALA . . . . . . . . . . . . . . . -140.1 132.58 28.59 Favored 'General case' 0 C--N 1.323 -0.546 0 N-CA-C 110.389 -0.226 . . . . 0.0 110.389 -179.129 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 97' ' ' LEU . . . . . . . . . . . . . 96.7 mt 63.81 -168.75 0.2 Allowed 'General case' 0 C--O 1.235 0.304 0 O-C-N 123.683 0.614 . . . . 0.0 110.855 -178.918 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 98' ' ' ALA . . . . . . . . . . . . . . . 70.88 -57.89 0.58 Allowed 'General case' 0 N--CA 1.469 0.483 0 C-N-CA 123.566 0.747 . . . . 0.0 111.388 -177.747 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 99' ' ' LEU . . . . . . . . . . . . . 46.4 tp -65.03 -36.83 85.64 Favored 'General case' 0 C--N 1.325 -0.486 0 CA-C-O 121.21 0.529 . . . . 0.0 110.081 178.131 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 100' ' ' ASP . . . . . . . . . . . . . 21.5 t70 -59.05 -54.12 50.65 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 115.56 -0.746 . . . . 0.0 111.165 178.82 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 12.5 p -70.89 -14.39 62.37 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-O 121.051 0.453 . . . . 0.0 111.038 -179.277 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 102' ' ' LEU . . . . . . . . . . . . . 44.8 tp -83.59 -8.73 59.26 Favored 'General case' 0 C--N 1.325 -0.471 0 CA-C-O 121.252 0.549 . . . . 0.0 110.313 177.249 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 103' ' ' THR . . . . . . . . . . . . . 20.6 m -106.64 -22.26 12.8 Favored 'General case' 0 C--N 1.323 -0.558 0 CA-C-N 116.147 -0.479 . . . . 0.0 111.262 -177.752 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 104' ' ' VAL . . . . . . . . . . . . . 32.6 m -75.82 141.77 15.35 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-N 116.638 -0.255 . . . . 0.0 110.933 -178.589 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 105' ' ' LEU . . . . . . . . . . . . . 2.2 tm? 66.16 -72.97 0.07 Allowed 'General case' 0 N--CA 1.466 0.365 0 C-N-CA 123.549 0.74 . . . . 0.0 110.575 -176.933 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 106' ' ' GLY . . . . . . . . . . . . . . . -109.77 115.02 4.06 Favored Glycine 0 N--CA 1.446 -0.694 0 N-CA-C 111.188 -0.765 . . . . 0.0 111.188 178.148 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 107' ' ' ALA . . . . . . . . . . . . . . . -75.61 108.78 8.66 Favored 'General case' 0 C--N 1.323 -0.577 0 CA-C-O 121.154 0.502 . . . . 0.0 111.164 -177.805 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 108' ' ' GLY . . . . . . . . . . . . . . . -103.3 85.66 0.51 Allowed Glycine 0 N--CA 1.444 -0.792 0 C-N-CA 120.836 -0.697 . . . . 0.0 111.401 176.141 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 109' ' ' GLY . . . . . 0.58 ' O ' ' HA ' ' A' ' 73' ' ' ALA . . . -67.21 141.93 40.23 Favored Glycine 0 N--CA 1.449 -0.447 0 C-N-CA 120.694 -0.765 . . . . 0.0 111.769 179.998 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 110' ' ' ASN . . . . . . . . . . . . . 25.1 p-10 -90.13 124.62 34.97 Favored 'General case' 0 C--N 1.323 -0.551 0 CA-C-O 121.061 0.458 . . . . 0.0 110.809 -178.815 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 111' ' ' ASN . . . . . 0.538 ' HA ' ' HA ' ' A' ' 64' ' ' ARG . 73.4 m-20 -76.16 50.51 0.62 Allowed 'General case' 0 C--N 1.326 -0.422 0 CA-C-N 115.812 -0.631 . . . . 0.0 111.466 179.367 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 112' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.248 0.985 0 CA-C-O 118.791 -0.623 . . . . 0.0 109.791 179.325 . . . . . . . . 0 0 . 1 . 015 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 50.3 m . . . . . 0 N--CA 1.478 0.971 0 CA-C-O 121.122 0.487 . . . . 0.0 110.768 . . . . . . . . . 0 0 . 1 . 015 nuclear nobuild full ' A' A ' 7' ' ' MET . . . . . . . . . . . . . 26.9 ptm -83.59 -16.15 46.39 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.408 -176.903 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -74.4 -44.14 53.3 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 121.015 0.436 . . . . 0.0 110.302 178.431 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 9' ' ' GLN . . . . . . . . . . . . . 81.1 mm-40 -68.33 -19.72 64.68 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.04 -0.527 . . . . 0.0 110.48 175.756 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -92.14 7.08 44.13 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-N 115.829 -0.623 . . . . 0.0 110.962 178.929 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . 67.69 -77.2 0.05 OUTLIER 'General case' 0 N--CA 1.465 0.275 0 C-N-CA 123.543 0.737 . . . . 0.0 111.841 179.313 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 16.7 pt20 -141.33 169.51 17.48 Favored 'General case' 0 C--N 1.324 -0.521 0 CA-C-O 120.86 0.362 . . . . 0.0 111.004 -178.662 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 14.2 pt20 -147.66 124.35 11.15 Favored 'General case' 0 C--N 1.324 -0.514 0 CA-C-N 115.895 -0.593 . . . . 0.0 109.565 174.95 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 14' ' ' LYS . . . . . 0.541 ' HB2' ' CZ ' ' A' ' 16' ' ' PHE . 48.0 mmtm -132.42 163.29 29.08 Favored 'General case' 0 C--N 1.322 -0.604 0 CA-C-N 116.376 -0.375 . . . . 0.0 110.056 -177.387 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 15' ' ' ASN . . . . . . . . . . . . . 53.2 t30 -96.24 108.72 21.24 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-O 121.096 0.474 . . . . 0.0 110.052 178.276 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 16' ' ' PHE . . . . . 0.541 ' CZ ' ' HB2' ' A' ' 14' ' ' LYS . 82.4 m-85 -107.18 149.4 27.74 Favored 'General case' 0 C--N 1.32 -0.713 0 CA-C-N 116.061 -0.518 . . . . 0.0 110.898 -176.58 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 9.0 t30 -142.1 101.05 3.85 Favored 'General case' 0 C--N 1.324 -0.54 0 CA-C-N 115.908 -0.587 . . . . 0.0 109.439 175.774 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 18' ' ' ILE . . . . . 0.492 ' HB ' ' HB3' ' A' ' 53' ' ' LEU . 16.7 mm -120.31 113.81 41.68 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.54 0 CA-C-N 115.824 -0.626 . . . . 0.0 110.591 -174.689 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -72.46 161.48 30.76 Favored 'General case' 0 C--O 1.237 0.411 0 N-CA-C 109.351 -0.611 . . . . 0.0 109.351 172.336 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 20' ' ' ALA . . . . . 0.411 ' HA ' ' HB3' ' A' ' 50' ' ' ALA . . . -67.37 102.48 1.11 Allowed 'General case' 0 C--N 1.331 -0.217 0 CA-C-O 121.331 0.586 . . . . 0.0 110.962 -175.616 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 21' ' ' GLN . . . . . 0.448 ' HB3' ' HD2' ' A' ' 22' ' ' PRO . 40.1 mt-30 -108.85 178.23 1.09 Allowed Pre-proline 0 C--N 1.318 -0.764 0 CA-C-N 115.103 -0.953 . . . . 0.0 110.196 175.002 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 22' ' ' PRO . . . . . 0.448 ' HD2' ' HB3' ' A' ' 21' ' ' GLN . 32.2 Cg_exo -60.84 137.1 70.43 Favored 'Trans proline' 0 C--N 1.346 0.425 0 C-N-CA 121.504 1.469 . . . . 0.0 109.453 163.986 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 24.2 tp -51.7 -39.08 57.67 Favored 'General case' 0 C--N 1.328 -0.334 0 N-CA-C 112.331 0.493 . . . . 0.0 112.331 -166.427 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 25.0 mt-30 -64.22 -52.96 56.25 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.821 0.344 . . . . 0.0 110.85 179.013 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 16.1 m -64.47 -30.78 71.81 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-O 121.17 0.51 . . . . 0.0 110.418 179.316 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -58.22 -57.4 13.04 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 115.663 -0.699 . . . . 0.0 111.104 177.352 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 27' ' ' MET . . . . . 0.488 ' HA ' ' HB3' ' A' ' 30' ' ' PHE . 48.6 mtt -74.67 -18.99 60.44 Favored 'General case' 0 C--N 1.325 -0.457 0 CA-C-N 115.81 -0.632 . . . . 0.0 110.607 -177.681 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 28' ' ' LEU . . . . . 0.42 ' O ' ' HB3' ' A' ' 32' ' ' GLU . 8.3 tt -63.58 -38.85 92.68 Favored 'General case' 0 C--N 1.322 -0.626 0 N-CA-C 108.632 -0.877 . . . . 0.0 108.632 172.187 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 29' ' ' ARG . . . . . 0.588 ' O ' ' HG2' ' A' ' 32' ' ' GLU . 35.7 mmt180 -81.61 -40.71 22.58 Favored 'General case' 0 C--N 1.332 -0.193 0 CA-C-N 115.689 -0.687 . . . . 0.0 111.468 179.73 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 30' ' ' PHE . . . . . 0.488 ' HB3' ' HA ' ' A' ' 27' ' ' MET . 37.6 t80 -62.99 -54.14 42.93 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-O 121.262 0.553 . . . . 0.0 110.502 177.13 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 31' ' ' ALA . . . . . 0.406 ' HA ' ' HB3' ' A' ' 34' ' ' ALA . . . -70.97 -23.29 62.18 Favored 'General case' 0 N--CA 1.444 -0.769 0 CA-C-N 115.704 -0.68 . . . . 0.0 111.467 -173.865 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 32' ' ' GLU . . . . . 0.588 ' HG2' ' O ' ' A' ' 29' ' ' ARG . 8.6 pt-20 -67.53 -23.05 65.4 Favored 'General case' 0 N--CA 1.466 0.336 0 C-N-CA 119.792 -0.763 . . . . 0.0 110.437 179.422 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 33' ' ' GLN . . . . . . . . . . . . . 54.4 mt-30 -89.19 -30.18 18.74 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 121.144 0.497 . . . . 0.0 109.931 174.392 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 34' ' ' ALA . . . . . 0.406 ' HB3' ' HA ' ' A' ' 31' ' ' ALA . . . -79.77 -26.32 40.68 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 115.706 -0.679 . . . . 0.0 112.032 -177.134 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 105.86 37.82 2.48 Favored Glycine 0 N--CA 1.453 -0.222 0 C-N-CA 121.061 -0.59 . . . . 0.0 112.197 -179.448 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 36' ' ' MET . . . . . . . . . . . . . 56.9 mtm -154.24 176.18 12.59 Favored 'General case' 0 C--N 1.328 -0.352 0 C-N-CA 123.072 0.549 . . . . 0.0 110.234 -177.593 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 37' ' ' GLN . . . . . 0.406 ' O ' ' HA ' ' A' ' 81' ' ' GLN . 8.8 tt0 -141.35 143.33 33.95 Favored 'General case' 0 C--N 1.322 -0.605 0 N-CA-C 109.033 -0.729 . . . . 0.0 109.033 169.704 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 8.3 p -77.7 137.56 22.03 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 N-CA-C 110.049 -0.352 . . . . 0.0 110.049 -179.399 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 39' ' ' PHE . . . . . . . . . . . . . 90.6 t80 -131.64 137.17 48.24 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-O 121.175 0.512 . . . . 0.0 111.841 -171.797 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 40' ' ' PHE . . . . . . . . . . . . . 71.3 m-85 -134.74 162.14 33.19 Favored 'General case' 0 C--N 1.323 -0.57 0 N-CA-C 108.212 -1.033 . . . . 0.0 108.212 172.883 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 41' ' ' ASP . . . . . 0.448 ' CG ' ' H ' ' A' ' 42' ' ' GLU . 3.3 p-10 -81.81 -87.39 0.09 Allowed 'General case' 0 C--N 1.324 -0.511 0 C-N-CA 120.261 -0.576 . . . . 0.0 110.385 176.975 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 42' ' ' GLU . . . . . 0.448 ' H ' ' CG ' ' A' ' 41' ' ' ASP . 45.7 mt-10 -131.03 87.86 2.53 Favored 'General case' 0 C--N 1.317 -0.818 0 N-CA-C 108.627 -0.879 . . . . 0.0 108.627 172.688 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 43' ' ' VAL . . . . . . . . . . . . . 62.1 t -121.0 109.39 25.08 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.669 0 CA-C-N 115.79 -0.641 . . . . 0.0 111.046 -177.039 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 39.8 ttmt -102.93 89.68 3.53 Favored 'General case' 0 C--N 1.323 -0.553 0 CA-C-N 115.797 -0.638 . . . . 0.0 109.383 176.006 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 92.9 mt -142.92 137.01 29.15 Favored 'General case' 0 C--N 1.324 -0.54 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.46 -179.298 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 4.6 p-10 -130.78 155.73 46.18 Favored 'General case' 0 C--N 1.32 -0.676 0 CA-C-N 116.166 -0.47 . . . . 0.0 109.752 175.501 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 123.15 -14.1 8.37 Favored Glycine 0 N--CA 1.444 -0.802 0 C-N-CA 120.384 -0.913 . . . . 0.0 112.594 179.465 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 48' ' ' MET . . . . . . . . . . . . . 5.1 mpp? -63.77 139.92 58.82 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 120.988 0.423 . . . . 0.0 110.567 178.332 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 21.0 mt-30 -106.06 120.95 43.1 Favored 'General case' 0 C--N 1.32 -0.692 0 CA-C-N 116.079 -0.51 . . . . 0.0 110.476 -177.204 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 50' ' ' ALA . . . . . 0.411 ' HB3' ' HA ' ' A' ' 20' ' ' ALA . . . -83.54 101.13 11.23 Favored 'General case' 0 C--N 1.324 -0.52 0 N-CA-C 109.491 -0.559 . . . . 0.0 109.491 175.478 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -60.99 155.79 19.22 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 115.68 -0.691 . . . . 0.0 111.096 -177.744 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -55.49 109.34 0.54 Allowed 'General case' 0 C--N 1.331 -0.209 0 CA-C-N 115.75 -0.659 . . . . 0.0 110.914 -178.274 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 53' ' ' LEU . . . . . 0.492 ' HB3' ' HB ' ' A' ' 18' ' ' ILE . 1.1 tm? -108.74 102.0 11.08 Favored 'General case' 0 C--N 1.32 -0.676 0 CA-C-N 115.611 -0.722 . . . . 0.0 109.259 -177.967 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 54' ' ' ASN . . . . . 0.541 ' HA ' ' O ' ' A' ' 16' ' ' PHE . 50.3 t-20 -151.8 99.33 2.57 Favored 'General case' 0 C--N 1.324 -0.53 0 N-CA-C 109.831 -0.433 . . . . 0.0 109.831 178.314 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . 178.16 165.68 33.33 Favored Glycine 0 N--CA 1.448 -0.564 0 C-N-CA 120.547 -0.835 . . . . 0.0 112.56 -179.889 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 56' ' ' SER . . . . . 0.537 ' HA ' ' O ' ' A' ' 14' ' ' LYS . 51.0 m -99.26 105.11 17.1 Favored 'General case' 0 C--N 1.326 -0.44 0 N-CA-C 109.459 -0.571 . . . . 0.0 109.459 175.203 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 57' ' ' MET . . . . . . . . . . . . . 14.6 ptt? -157.24 -178.37 7.3 Favored 'General case' 0 C--N 1.324 -0.519 0 CA-C-N 116.053 -0.521 . . . . 0.0 111.188 -173.986 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 25.4 m -92.81 174.46 7.24 Favored 'General case' 0 C--N 1.325 -0.46 0 CA-C-N 116.031 -0.531 . . . . 0.0 111.447 -176.317 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 59' ' ' VAL . . . . . . . . . . . . . 31.0 t -58.86 -48.86 84.99 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.536 -0.302 . . . . 0.0 111.065 -178.73 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 25.6 mp0 -52.17 -51.85 55.54 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-N 116.066 -0.515 . . . . 0.0 110.528 179.132 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 61' ' ' GLN . . . . . . . . . . . . . 46.7 mt-30 -64.72 -46.65 81.4 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 115.742 -0.663 . . . . 0.0 111.13 -179.101 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . -58.86 -44.82 95.75 Favored Glycine 0 N--CA 1.449 -0.497 0 CA-C-N 115.87 -0.604 . . . . 0.0 112.459 -178.947 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 63' ' ' LEU . . . . . 0.527 ' O ' HG13 ' A' ' 67' ' ' ILE . 4.0 mm? -69.56 -41.95 75.19 Favored 'General case' 0 C--N 1.323 -0.548 0 C-N-CA 121.375 -0.13 . . . . 0.0 110.99 179.118 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 64' ' ' ARG . . . . . . . . . . . . . 72.3 mtp180 -53.79 -32.65 53.3 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-O 120.707 0.289 . . . . 0.0 111.108 176.605 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 65' ' ' ARG . . . . . . . . . . . . . 20.5 ttm180 -81.39 -46.07 15.18 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.484 -0.325 . . . . 0.0 110.9 176.511 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 7.3 mt -59.91 -41.28 91.33 Favored 'General case' 0 N--CA 1.472 0.64 0 CA-C-O 121.332 0.587 . . . . 0.0 111.908 -179.736 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 67' ' ' ILE . . . . . 0.527 HG13 ' O ' ' A' ' 63' ' ' LEU . 8.7 mt -90.25 18.46 0.75 Allowed 'Isoleucine or valine' 0 C--N 1.319 -0.735 0 CA-C-N 115.422 -0.808 . . . . 0.0 110.24 -179.467 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . -33.26 26.31 0.0 OUTLIER Glycine 0 N--CA 1.485 1.96 0 C-N-CA 128.236 2.827 . . . . 0.0 120.145 177.866 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 69' ' ' GLY . . . . . 0.419 ' N ' ' O ' ' A' ' 67' ' ' ILE . . . 116.04 30.03 2.22 Favored Glycine 0 C--N 1.314 -0.654 0 CA-C-N 119.188 1.494 . . . . 0.0 112.318 -173.313 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 70' ' ' ASN . . . . . . . . . . . . . 43.2 m-80 -102.16 118.23 59.55 Favored Pre-proline 0 C--N 1.322 -0.595 0 N-CA-C 107.014 -1.476 . . . . 0.0 107.014 159.328 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 71' ' ' PRO . . . . . . . . . . . . . 19.6 Cg_exo -67.12 94.18 0.35 Allowed 'Trans proline' 0 C--O 1.235 0.361 0 C-N-CA 121.358 1.372 . . . . 0.0 112.182 -175.741 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 72' ' ' VAL . . . . . . . . . . . . . 14.1 p -156.72 146.61 11.47 Favored 'Isoleucine or valine' 0 N--CA 1.449 -0.522 0 CA-C-N 115.709 -0.678 . . . . 0.0 110.145 176.501 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -100.63 132.85 45.81 Favored 'General case' 0 C--N 1.324 -0.541 0 N-CA-C 110.044 -0.354 . . . . 0.0 110.044 177.463 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 74' ' ' PHE . . . . . 0.4 ' CD2' ' HG ' ' A' ' 63' ' ' LEU . 3.3 p90 -115.18 128.62 56.3 Favored 'General case' 0 C--N 1.332 -0.165 0 CA-C-O 121.336 0.589 . . . . 0.0 111.164 -176.767 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 75' ' ' ARG . . . . . 0.527 ' HG2' ' O ' ' A' ' 83' ' ' VAL . 14.7 ptm180 -118.03 127.81 54.17 Favored 'General case' 0 C--N 1.318 -0.771 0 N-CA-C 109.525 -0.546 . . . . 0.0 109.525 177.59 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 76' ' ' LEU . . . . . 0.418 HD23 HG23 ' A' ' 82' ' ' ILE . 76.4 mt -91.33 99.59 12.54 Favored 'General case' 0 C--N 1.319 -0.739 0 CA-C-O 121.221 0.534 . . . . 0.0 110.056 -177.558 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 77' ' ' GLN . . . . . 0.507 ' HA ' ' HD3' ' A' ' 78' ' ' PRO . 0.5 OUTLIER -88.79 131.62 40.97 Favored Pre-proline 0 N--CA 1.441 -0.903 0 CA-C-N 115.536 -0.756 . . . . 0.0 110.012 -176.039 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 78' ' ' PRO . . . . . 0.507 ' HD3' ' HA ' ' A' ' 77' ' ' GLN . 29.9 Cg_exo -63.28 3.18 0.64 Allowed 'Trans proline' 0 N--CA 1.48 0.707 0 C-N-CA 123.681 2.921 . . . . 0.0 114.526 -173.988 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 79' ' ' GLN . . . . . 0.475 ' HB2' HE21 ' A' ' 77' ' ' GLN . 77.5 mt-30 -93.36 23.2 4.64 Favored 'General case' 0 C--N 1.324 -0.534 0 CA-C-O 121.089 0.471 . . . . 0.0 110.452 177.388 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . 71.07 28.99 69.43 Favored Glycine 0 N--CA 1.447 -0.577 0 CA-C-N 115.728 -0.669 . . . . 0.0 112.759 178.474 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 81' ' ' GLN . . . . . 0.406 ' HA ' ' O ' ' A' ' 37' ' ' GLN . 97.2 mt-30 -131.57 132.84 44.43 Favored 'General case' 0 C--N 1.324 -0.513 0 CA-C-O 120.947 0.403 . . . . 0.0 111.28 -177.675 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 82' ' ' ILE . . . . . 0.418 HG23 HD23 ' A' ' 76' ' ' LEU . 48.2 mt -98.95 100.8 11.16 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.55 0 N-CA-C 108.835 -0.802 . . . . 0.0 108.835 175.08 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 83' ' ' VAL . . . . . 0.527 ' O ' ' HG2' ' A' ' 75' ' ' ARG . 39.6 t -91.39 120.55 40.6 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.669 0 CA-C-N 116.438 -0.346 . . . . 0.0 110.256 -176.777 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 84' ' ' LEU . . . . . . . . . . . . . 6.3 mp -112.65 148.11 35.33 Favored 'General case' 0 C--N 1.322 -0.63 0 CA-C-O 120.857 0.361 . . . . 0.0 110.649 177.619 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 85' ' ' SER . . . . . . . . . . . . . 5.6 p -148.81 135.18 19.43 Favored 'General case' 0 C--N 1.32 -0.708 0 CA-C-N 115.76 -0.655 . . . . 0.0 110.325 179.921 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 86' ' ' ARG . . . . . . . . . . . . . 33.6 ttm180 -81.77 81.06 7.92 Favored 'General case' 0 C--N 1.324 -0.543 0 N-CA-C 108.885 -0.783 . . . . 0.0 108.885 176.239 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 87' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -59.23 133.55 87.92 Favored Pre-proline 0 C--N 1.322 -0.623 0 CA-C-N 114.352 -1.294 . . . . 0.0 110.653 -179.434 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 88' ' ' PRO . . . . . . . . . . . . . 19.5 Cg_endo -59.46 95.96 0.09 OUTLIER 'Trans proline' 0 C--N 1.346 0.416 0 C-N-CA 122.898 2.398 . . . . 0.0 111.985 179.897 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 89' ' ' THR . . . . . . . . . . . . . 24.4 m -85.46 93.84 8.85 Favored 'General case' 0 C--N 1.322 -0.62 0 CA-C-N 115.983 -0.553 . . . . 0.0 110.774 -177.74 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 90' ' ' ALA . . . . . . . . . . . . . . . -95.22 136.03 36.08 Favored 'General case' 0 C--N 1.32 -0.703 0 CA-C-N 115.981 -0.554 . . . . 0.0 110.464 178.497 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 91' ' ' ASN . . . . . . . . . . . . . 17.8 m120 -98.71 -10.84 22.61 Favored 'General case' 0 C--N 1.325 -0.496 0 CA-C-O 121.023 0.44 . . . . 0.0 110.809 179.307 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 92' ' ' GLY . . . . . . . . . . . . . . . -106.82 30.3 9.61 Favored Glycine 0 N--CA 1.449 -0.485 0 C-N-CA 120.767 -0.73 . . . . 0.0 111.92 179.323 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 17.4 t70 -108.39 -35.84 6.4 Favored 'General case' 0 C--N 1.323 -0.566 0 CA-C-O 121.132 0.491 . . . . 0.0 110.968 -178.201 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 94' ' ' GLY . . . . . . . . . . . . . . . 95.28 -21.09 46.18 Favored Glycine 0 N--CA 1.448 -0.551 0 C-N-CA 120.929 -0.653 . . . . 0.0 111.936 -178.221 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 95' ' ' GLY . . . . . . . . . . . . . . . 100.59 51.0 1.24 Allowed Glycine 0 N--CA 1.447 -0.619 0 C-N-CA 120.999 -0.619 . . . . 0.0 111.96 179.847 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 96' ' ' ALA . . . . . . . . . . . . . . . -74.12 179.02 4.65 Favored 'General case' 0 C--N 1.328 -0.34 0 C-N-CA 121.963 0.105 . . . . 0.0 110.731 -179.317 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 97' ' ' LEU . . . . . . . . . . . . . 46.5 tp -56.3 -39.19 72.32 Favored 'General case' 0 C--N 1.328 -0.349 0 N-CA-C 112.255 0.465 . . . . 0.0 112.255 -172.433 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 98' ' ' ALA . . . . . . . . . . . . . . . -58.59 -46.52 86.78 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-O 120.753 0.311 . . . . 0.0 111.308 -179.219 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 99' ' ' LEU . . . . . . . . . . . . . 45.2 tp -77.97 -29.68 49.91 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-O 120.943 0.401 . . . . 0.0 110.338 178.669 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 100' ' ' ASP . . . . . . . . . . . . . 13.5 t70 -56.88 -45.21 82.69 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 115.861 -0.609 . . . . 0.0 110.765 178.282 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 17.8 m -70.59 -6.82 39.46 Favored 'General case' 0 C--N 1.325 -0.463 0 CA-C-N 115.93 -0.577 . . . . 0.0 111.475 -179.969 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 102' ' ' LEU . . . . . . . . . . . . . 94.1 mt -102.44 -26.12 13.38 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-O 121.017 0.437 . . . . 0.0 110.487 178.172 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 103' ' ' THR . . . . . . . . . . . . . 9.8 p -83.41 5.81 22.3 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 121.122 0.487 . . . . 0.0 111.073 178.218 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 104' ' ' VAL . . . . . . . . . . . . . 27.7 m -125.03 164.25 24.21 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.567 0 N-CA-C 109.33 -0.619 . . . . 0.0 109.33 175.292 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 105' ' ' LEU . . . . . . . . . . . . . 97.7 mt 69.83 -64.24 0.36 Allowed 'General case' 0 N--CA 1.468 0.429 0 C-N-CA 123.097 0.559 . . . . 0.0 111.548 -179.878 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 106' ' ' GLY . . . . . . . . . . . . . . . -90.02 -20.25 43.58 Favored Glycine 0 N--CA 1.449 -0.461 0 C-N-CA 121.06 -0.591 . . . . 0.0 112.469 -178.604 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 107' ' ' ALA . . . . . . . . . . . . . . . -100.81 162.63 12.78 Favored 'General case' 0 C--N 1.323 -0.56 0 CA-C-O 120.844 0.354 . . . . 0.0 110.94 178.821 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 108' ' ' GLY . . . . . . . . . . . . . . . 130.69 24.41 0.91 Allowed Glycine 0 N--CA 1.449 -0.439 0 C-N-CA 120.881 -0.676 . . . . 0.0 112.232 -178.911 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 109' ' ' GLY . . . . . . . . . . . . . . . -146.39 177.32 24.8 Favored Glycine 0 N--CA 1.448 -0.517 0 C-N-CA 120.635 -0.793 . . . . 0.0 112.131 -178.558 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 110' ' ' ASN . . . . . . . . . . . . . 15.8 m120 -76.38 57.83 1.23 Allowed 'General case' 0 C--N 1.33 -0.274 0 CA-C-O 121.093 0.473 . . . . 0.0 110.077 178.892 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 111' ' ' ASN . . . . . 0.466 ' HB2' HG22 ' A' ' 67' ' ' ILE . 4.9 p-10 -173.78 -32.98 0.01 OUTLIER 'General case' 0 C--N 1.322 -0.607 0 CA-C-N 115.407 -0.815 . . . . 0.0 109.604 -173.889 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 112' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.247 0.927 0 CA-C-N 115.169 -0.923 . . . . 0.0 109.482 180.0 . . . . . . . . 0 0 . 1 . 016 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 25.6 m . . . . . 0 N--CA 1.474 0.774 0 N-CA-C 110.169 -0.308 . . . . 0.0 110.169 . . . . . . . . . 0 0 . 1 . 016 nuclear nobuild full ' A' A ' 7' ' ' MET . . . . . . . . . . . . . 14.5 tpt 55.98 65.44 1.45 Allowed 'General case' 0 C--O 1.234 0.243 0 CA-C-O 121.273 0.559 . . . . 0.0 110.295 -179.126 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -68.51 -11.27 59.63 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 115.783 -0.644 . . . . 0.0 111.757 -175.027 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 9' ' ' GLN . . . . . . . . . . . . . 14.1 mm100 -80.1 -12.69 59.65 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.53 -0.304 . . . . 0.0 110.945 176.84 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -116.83 -44.06 2.85 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-N 116.274 -0.421 . . . . 0.0 110.718 179.046 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -73.71 136.4 43.73 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 116.032 -0.531 . . . . 0.0 110.789 -179.923 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 11.1 pt20 -80.57 151.56 29.05 Favored 'General case' 0 C--N 1.325 -0.463 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.257 -179.241 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 11.2 pt20 -109.85 135.42 50.76 Favored 'General case' 0 C--N 1.321 -0.651 0 CA-C-N 116.437 -0.347 . . . . 0.0 110.211 177.638 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 14' ' ' LYS . . . . . 0.416 ' HB2' ' CE2' ' A' ' 16' ' ' PHE . 40.7 mmtm -135.29 144.47 46.79 Favored 'General case' 0 C--N 1.323 -0.581 0 CA-C-N 116.113 -0.494 . . . . 0.0 109.737 176.601 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 15' ' ' ASN . . . . . 0.524 ' HA ' ' HA ' ' A' ' 56' ' ' SER . 6.6 t30 -84.17 99.49 10.55 Favored 'General case' 0 C--N 1.323 -0.557 0 N-CA-C 109.665 -0.495 . . . . 0.0 109.665 178.766 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 16' ' ' PHE . . . . . 0.416 ' CE2' ' HB2' ' A' ' 14' ' ' LYS . 59.5 m-85 -99.3 143.49 29.5 Favored 'General case' 0 C--N 1.319 -0.718 0 CA-C-N 115.916 -0.583 . . . . 0.0 110.525 -177.44 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 5.1 p-10 -144.17 95.46 2.72 Favored 'General case' 0 C--N 1.318 -0.793 0 CA-C-O 121.684 0.754 . . . . 0.0 109.647 179.527 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 18' ' ' ILE . . . . . 0.456 HG12 HD12 ' A' ' 53' ' ' LEU . 21.0 mm -116.07 119.92 63.31 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.657 0 CA-C-N 115.576 -0.738 . . . . 0.0 109.953 -175.654 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -74.18 154.67 38.97 Favored 'General case' 0 C--N 1.323 -0.551 0 N-CA-C 109.292 -0.632 . . . . 0.0 109.292 173.65 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -66.88 103.15 1.07 Allowed 'General case' 0 C--N 1.328 -0.356 0 CA-C-O 121.33 0.586 . . . . 0.0 110.815 -176.278 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 21' ' ' GLN . . . . . 0.507 HE22 ' HG3' ' A' ' 29' ' ' ARG . 74.6 mt-30 -106.12 172.38 3.99 Favored Pre-proline 0 C--N 1.324 -0.538 0 CA-C-N 114.99 -1.004 . . . . 0.0 110.242 173.714 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 22' ' ' PRO . . . . . 0.402 ' HA ' ' O ' ' A' ' 48' ' ' MET . 52.5 Cg_exo -57.24 140.98 94.45 Favored 'Trans proline' 0 N--CA 1.462 -0.334 0 C-N-CA 121.788 1.659 . . . . 0.0 109.816 163.083 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 23' ' ' LEU . . . . . 0.422 ' CB ' ' HB3' ' A' ' 48' ' ' MET . 32.3 tp -51.71 -45.5 63.59 Favored 'General case' 0 N--CA 1.468 0.473 0 N-CA-C 113.459 0.911 . . . . 0.0 113.459 -167.138 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 78.5 mt-30 -68.82 -44.46 73.46 Favored 'General case' 0 C--N 1.326 -0.419 0 C-N-CA 120.867 -0.333 . . . . 0.0 111.044 -177.274 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 31.8 t -65.48 -35.77 81.89 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-O 121.132 0.491 . . . . 0.0 109.951 177.594 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -55.3 -57.6 11.17 Favored 'General case' 0 CA--C 1.516 -0.331 0 CA-C-N 115.356 -0.838 . . . . 0.0 111.345 178.829 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 27' ' ' MET . . . . . 0.474 ' HE3' ' HB3' ' A' ' 66' ' ' LEU . 16.7 mmt -76.94 -14.33 59.87 Favored 'General case' 0 C--N 1.321 -0.656 0 CA-C-N 115.469 -0.787 . . . . 0.0 111.014 -174.349 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 59.7 tp -65.69 -32.69 74.38 Favored 'General case' 0 C--N 1.322 -0.626 0 N-CA-C 109.106 -0.702 . . . . 0.0 109.106 170.889 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 29' ' ' ARG . . . . . 0.507 ' HG3' HE22 ' A' ' 21' ' ' GLN . 31.1 mmt180 -86.52 -41.83 14.03 Favored 'General case' 0 C--N 1.323 -0.571 0 CA-C-N 116.262 -0.427 . . . . 0.0 110.718 179.883 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 36.3 t80 -71.46 -56.46 5.9 Favored 'General case' 0 C--N 1.325 -0.479 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.576 179.735 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -71.36 -30.73 66.5 Favored 'General case' 0 C--N 1.323 -0.555 0 CA-C-N 116.13 -0.486 . . . . 0.0 112.281 -169.679 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 40.9 mm-40 -62.72 -26.92 68.92 Favored 'General case' 0 N--CA 1.464 0.261 0 C-N-CA 120.393 -0.523 . . . . 0.0 110.897 177.609 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 33' ' ' GLN . . . . . 0.418 ' HA ' ' OE1' ' A' ' 33' ' ' GLN . 16.3 mm-40 -85.59 -16.44 39.32 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-O 120.997 0.427 . . . . 0.0 110.497 177.369 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -95.71 -16.87 21.69 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-N 116.079 -0.51 . . . . 0.0 111.198 178.944 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 99.03 20.7 17.61 Favored Glycine 0 CA--C 1.52 0.384 0 C-N-CA 121.081 -0.58 . . . . 0.0 112.867 178.996 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 36' ' ' MET . . . . . 0.458 ' HG2' ' HA2' ' A' ' 80' ' ' GLY . 68.0 mtm -138.97 176.57 8.58 Favored 'General case' 0 C--N 1.325 -0.465 0 N-CA-C 110.308 -0.256 . . . . 0.0 110.308 -177.276 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 37' ' ' GLN . . . . . . . . . . . . . 32.7 tt0 -154.68 145.75 22.72 Favored 'General case' 0 C--N 1.328 -0.353 0 N-CA-C 109.976 -0.379 . . . . 0.0 109.976 173.594 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 38' ' ' VAL . . . . . 0.405 ' CG2' ' HB2' ' A' ' 27' ' ' MET . 5.9 m -79.75 138.93 19.05 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-O 121.006 0.432 . . . . 0.0 111.592 -179.231 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 39' ' ' PHE . . . . . . . . . . . . . 91.5 t80 -121.37 136.19 54.99 Favored 'General case' 0 C--N 1.324 -0.521 0 CA-C-N 115.814 -0.63 . . . . 0.0 110.787 -179.72 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 40' ' ' PHE . . . . . . . . . . . . . 70.3 m-85 -131.08 154.55 48.15 Favored 'General case' 0 C--N 1.321 -0.635 0 CA-C-N 115.57 -0.741 . . . . 0.0 109.07 176.347 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 17.1 m-20 -78.92 -174.37 3.98 Favored 'General case' 0 C--N 1.325 -0.464 0 CA-C-N 116.659 -0.246 . . . . 0.0 110.542 177.807 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 39.5 mt-10 -76.3 89.42 3.15 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-O 121.05 0.452 . . . . 0.0 110.216 179.184 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 43' ' ' VAL . . . . . . . . . . . . . 7.2 p -159.14 134.84 1.75 Allowed 'Isoleucine or valine' 0 C--N 1.32 -0.701 0 CA-C-N 115.712 -0.676 . . . . 0.0 109.898 178.72 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 40.7 ttmt -98.84 123.17 42.92 Favored 'General case' 0 C--N 1.319 -0.752 0 CA-C-N 116.286 -0.416 . . . . 0.0 110.082 178.079 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 1.3 pt? -133.81 112.92 11.73 Favored 'General case' 0 C--N 1.32 -0.694 0 CA-C-N 116.024 -0.535 . . . . 0.0 110.106 178.609 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 6.2 p-10 -83.55 151.31 25.44 Favored 'General case' 0 C--N 1.323 -0.552 0 CA-C-N 115.942 -0.572 . . . . 0.0 110.228 178.853 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 102.75 6.64 46.21 Favored Glycine 0 N--CA 1.448 -0.529 0 C-N-CA 120.674 -0.774 . . . . 0.0 112.266 -179.588 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 48' ' ' MET . . . . . 0.422 ' HB3' ' CB ' ' A' ' 23' ' ' LEU . 71.1 mtm -67.3 119.44 12.17 Favored 'General case' 0 C--N 1.329 -0.319 0 N-CA-C 109.91 -0.404 . . . . 0.0 109.91 178.029 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 7.5 pt20 -146.63 136.11 22.93 Favored 'General case' 0 C--N 1.323 -0.554 0 CA-C-O 121.109 0.481 . . . . 0.0 111.227 -175.381 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -91.18 145.49 24.63 Favored 'General case' 0 C--N 1.321 -0.636 0 CA-C-N 115.756 -0.657 . . . . 0.0 109.895 176.555 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -84.3 162.78 19.97 Favored 'General case' 0 C--N 1.321 -0.672 0 CA-C-N 116.449 -0.342 . . . . 0.0 110.908 179.908 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -64.8 97.1 0.2 Allowed 'General case' 0 C--O 1.235 0.307 0 CA-C-N 115.785 -0.643 . . . . 0.0 111.339 -179.179 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 53' ' ' LEU . . . . . 0.456 HD12 HG12 ' A' ' 18' ' ' ILE . 3.4 tm? -103.77 120.18 40.44 Favored 'General case' 0 C--N 1.322 -0.614 0 CA-C-N 115.709 -0.678 . . . . 0.0 109.657 -179.414 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 54' ' ' ASN . . . . . . . . . . . . . 7.3 t30 -159.51 98.85 1.42 Allowed 'General case' 0 C--N 1.326 -0.446 0 CA-C-N 116.357 -0.383 . . . . 0.0 110.136 177.821 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . 178.46 166.66 35.05 Favored Glycine 0 N--CA 1.448 -0.561 0 C-N-CA 120.703 -0.761 . . . . 0.0 112.155 -179.964 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 56' ' ' SER . . . . . 0.524 ' HA ' ' HA ' ' A' ' 15' ' ' ASN . 22.8 t -94.81 107.04 19.05 Favored 'General case' 0 C--N 1.324 -0.513 0 N-CA-C 109.713 -0.477 . . . . 0.0 109.713 176.957 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 57' ' ' MET . . . . . . . . . . . . . 21.3 ptp -157.63 176.75 12.22 Favored 'General case' 0 C--N 1.326 -0.452 0 CA-C-N 115.919 -0.582 . . . . 0.0 110.637 -175.676 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 9.5 m -84.55 176.24 8.75 Favored 'General case' 0 C--N 1.324 -0.523 0 CA-C-N 116.411 -0.359 . . . . 0.0 110.907 -179.792 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 59' ' ' VAL . . . . . . . . . . . . . 47.7 t -58.72 -38.67 73.29 Favored 'Isoleucine or valine' 0 CA--C 1.516 -0.357 0 N-CA-C 110.156 -0.312 . . . . 0.0 110.156 178.607 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 60' ' ' GLU . . . . . 0.61 ' O ' ' HG3' ' A' ' 64' ' ' ARG . 43.2 mt-10 -52.35 -70.64 0.08 Allowed 'General case' 0 C--O 1.223 -0.3 0 O-C-N 123.489 0.493 . . . . 0.0 111.069 -179.959 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 61' ' ' GLN . . . . . . . . . . . . . 84.4 mm-40 -59.66 -40.88 89.2 Favored 'General case' 0 C--N 1.327 -0.398 0 N-CA-C 111.84 0.311 . . . . 0.0 111.84 -175.325 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . -60.86 -50.57 66.11 Favored Glycine 0 N--CA 1.45 -0.4 0 C-N-CA 120.652 -0.785 . . . . 0.0 112.183 -179.847 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 63' ' ' LEU . . . . . 0.576 HD11 HD12 ' A' ' 67' ' ' ILE . 1.8 tm? -67.35 -39.37 85.73 Favored 'General case' 0 C--N 1.324 -0.524 0 CA-C-O 120.931 0.396 . . . . 0.0 110.172 -178.349 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 64' ' ' ARG . . . . . 0.656 ' HD3' ' OXT' ' A' ' 112' ' ' ALA . 67.7 mtt180 -60.05 -43.7 95.21 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.004 -0.544 . . . . 0.0 111.194 -178.667 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 65' ' ' ARG . . . . . . . . . . . . . 22.5 mtp180 -75.32 -28.26 59.58 Favored 'General case' 0 C--N 1.324 -0.536 0 CA-C-O 121.185 0.517 . . . . 0.0 110.616 178.076 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 66' ' ' LEU . . . . . 0.474 ' HB3' ' HE3' ' A' ' 27' ' ' MET . 3.5 mt -70.84 -50.86 30.81 Favored 'General case' 0 C--N 1.321 -0.659 0 CA-C-N 115.373 -0.831 . . . . 0.0 112.917 -175.066 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 67' ' ' ILE . . . . . 0.576 HD12 HD11 ' A' ' 63' ' ' LEU . 13.8 mt -83.2 -61.53 1.73 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 N-CA-C 113.523 0.934 . . . . 0.0 113.523 -169.5 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 68' ' ' GLY . . . . . 0.473 ' C ' ' H ' ' A' ' 70' ' ' ASN . . . -111.65 -61.53 0.47 Allowed Glycine 0 N--CA 1.447 -0.574 0 C-N-CA 119.067 -1.54 . . . . 0.0 114.904 -166.752 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 69' ' ' GLY . . . . . 0.533 ' HA2' ' H ' ' A' ' 110' ' ' ASN . . . 79.66 -22.36 4.08 Favored Glycine 0 CA--C 1.52 0.385 0 N-CA-C 110.572 -1.011 . . . . 0.0 110.572 -167.182 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 70' ' ' ASN . . . . . 0.473 ' H ' ' C ' ' A' ' 68' ' ' GLY . 17.3 m120 -103.63 151.23 38.71 Favored Pre-proline 0 C--N 1.325 -0.489 0 N-CA-C 108.712 -0.847 . . . . 0.0 108.712 168.736 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 71' ' ' PRO . . . . . 0.405 ' HB2' ' HA ' ' A' ' 88' ' ' PRO . 18.0 Cg_endo -59.08 103.24 0.17 Allowed 'Trans proline' 0 CA--C 1.535 0.539 0 C-N-CA 123.178 2.586 . . . . 0.0 113.813 -176.211 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 72' ' ' VAL . . . . . . . . . . . . . 12.6 p -150.26 138.88 14.87 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.399 0 CA-C-N 115.211 -0.904 . . . . 0.0 108.936 175.557 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -90.68 143.12 27.06 Favored 'General case' 0 C--N 1.32 -0.693 0 CA-C-O 121.017 0.436 . . . . 0.0 111.874 -167.524 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 74' ' ' PHE . . . . . 0.404 ' CG ' HD12 ' A' ' 63' ' ' LEU . 4.9 p90 -123.85 125.61 44.97 Favored 'General case' 0 C--N 1.322 -0.62 0 CA-C-N 116.103 -0.499 . . . . 0.0 110.173 176.497 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 75' ' ' ARG . . . . . . . . . . . . . 17.2 tpp180 -99.12 113.89 26.34 Favored 'General case' 0 C--N 1.321 -0.647 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.584 -177.868 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 76' ' ' LEU . . . . . . . . . . . . . 72.2 mt -90.79 99.36 12.41 Favored 'General case' 0 C--N 1.325 -0.495 0 CA-C-N 115.966 -0.561 . . . . 0.0 109.5 177.704 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 77' ' ' GLN . . . . . 0.425 ' HA ' ' HD3' ' A' ' 78' ' ' PRO . 43.7 mt-30 -86.36 130.73 48.46 Favored Pre-proline 0 C--N 1.321 -0.641 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.877 -176.668 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 78' ' ' PRO . . . . . 0.425 ' HD3' ' HA ' ' A' ' 77' ' ' GLN . 51.5 Cg_exo -56.25 -15.58 15.02 Favored 'Trans proline' 0 N--CA 1.477 0.525 0 C-N-CA 123.792 2.995 . . . . 0.0 113.969 -178.892 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 79' ' ' GLN . . . . . . . . . . . . . 28.4 mt-30 -81.01 -0.98 42.03 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 120.802 0.334 . . . . 0.0 111.021 176.853 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 80' ' ' GLY . . . . . 0.458 ' HA2' ' HG2' ' A' ' 36' ' ' MET . . . 95.46 36.12 5.48 Favored Glycine 0 N--CA 1.447 -0.628 0 C-N-CA 120.739 -0.743 . . . . 0.0 112.765 176.964 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 81' ' ' GLN . . . . . . . . . . . . . 84.8 mm-40 -127.38 137.29 52.73 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-N 116.9 0.35 . . . . 0.0 111.203 -177.598 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 82' ' ' ILE . . . . . 0.424 HG13 ' HB3' ' A' ' 36' ' ' MET . 56.9 mt -114.39 102.84 14.43 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 N-CA-C 109.282 -0.636 . . . . 0.0 109.282 174.852 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 83' ' ' VAL . . . . . . . . . . . . . 57.4 t -106.72 128.19 61.62 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.685 0 CA-C-N 116.294 -0.412 . . . . 0.0 110.265 -179.138 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 84' ' ' LEU . . . . . . . . . . . . . 17.2 tp -83.99 141.2 31.38 Favored 'General case' 0 C--N 1.325 -0.492 0 N-CA-C 109.734 -0.469 . . . . 0.0 109.734 179.645 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 85' ' ' SER . . . . . . . . . . . . . 24.0 m -136.12 143.3 44.47 Favored 'General case' 0 C--N 1.321 -0.672 0 N-CA-C 109.812 -0.44 . . . . 0.0 109.812 179.955 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 86' ' ' ARG . . . . . . . . . . . . . 33.7 mmt180 -85.4 64.65 8.77 Favored 'General case' 0 C--N 1.322 -0.629 0 CA-C-O 121.029 0.443 . . . . 0.0 111.782 -172.649 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 87' ' ' LEU . . . . . . . . . . . . . 2.8 mm? -118.09 121.08 31.77 Favored Pre-proline 0 C--N 1.327 -0.408 0 CA-C-N 115.863 -0.608 . . . . 0.0 109.639 174.659 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 88' ' ' PRO . . . . . 0.405 ' HA ' ' HB2' ' A' ' 71' ' ' PRO . 9.5 Cg_exo -71.24 106.45 1.92 Allowed 'Trans proline' 0 N--CA 1.462 -0.374 0 C-N-CA 122.523 2.149 . . . . 0.0 111.847 177.847 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 89' ' ' THR . . . . . . . . . . . . . 22.3 m -107.35 122.48 46.66 Favored 'General case' 0 C--N 1.324 -0.5 0 CA-C-N 116.579 -0.282 . . . . 0.0 110.853 -179.571 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 90' ' ' ALA . . . . . . . . . . . . . . . -102.67 108.93 20.37 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.277 -0.42 . . . . 0.0 110.907 173.74 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 91' ' ' ASN . . . . . . . . . . . . . 6.8 p30 -83.17 -13.92 54.51 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.865 0.364 . . . . 0.0 110.967 178.441 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 92' ' ' GLY . . . . . . . . . . . . . . . -68.64 -7.68 54.72 Favored Glycine 0 C--N 1.328 0.12 0 CA-C-N 116.196 -0.456 . . . . 0.0 113.321 -174.958 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 2.5 m-20 -89.38 -1.89 58.22 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-O 120.856 0.36 . . . . 0.0 110.994 177.933 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 94' ' ' GLY . . . . . . . . . . . . . . . 67.91 26.26 73.99 Favored Glycine 0 N--CA 1.452 -0.255 0 CA-C-N 115.827 -0.624 . . . . 0.0 113.132 175.122 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 95' ' ' GLY . . . . . . . . . . . . . . . 104.94 65.55 0.67 Allowed Glycine 0 N--CA 1.444 -0.79 0 C-N-CA 120.696 -0.764 . . . . 0.0 111.847 -178.652 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 96' ' ' ALA . . . . . 0.441 ' HB1' ' HB3' ' A' ' 100' ' ' ASP . . . -82.29 105.99 13.82 Favored 'General case' 0 C--N 1.323 -0.569 0 CA-C-O 120.929 0.395 . . . . 0.0 110.434 178.918 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 97' ' ' LEU . . . . . . . . . . . . . 1.3 pp -83.81 -173.42 4.71 Favored 'General case' 0 C--N 1.322 -0.595 0 CA-C-N 116.025 -0.534 . . . . 0.0 111.484 -176.625 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 98' ' ' ALA . . . . . . . . . . . . . . . 64.41 33.23 11.39 Favored 'General case' 0 C--O 1.233 0.225 0 O-C-N 123.657 0.598 . . . . 0.0 110.234 -175.458 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 99' ' ' LEU . . . . . 0.415 ' HG ' ' O ' ' A' ' 99' ' ' LEU . 25.3 tp 64.59 21.31 12.4 Favored 'General case' 0 CA--C 1.533 0.304 0 CA-C-N 115.157 -0.929 . . . . 0.0 110.791 178.868 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 100' ' ' ASP . . . . . 0.451 ' O ' HG23 ' A' ' 104' ' ' VAL . 24.6 t70 -77.57 -47.47 19.36 Favored 'General case' 0 C--N 1.327 -0.409 0 C-N-CA 120.942 -0.303 . . . . 0.0 111.221 -173.168 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 101' ' ' SER . . . . . 0.404 ' HB3' ' HB3' ' A' ' 96' ' ' ALA . 6.6 p -62.17 -26.44 68.33 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.436 -0.347 . . . . 0.0 111.717 -177.568 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 102' ' ' LEU . . . . . . . . . . . . . 15.1 tp -89.1 7.2 36.28 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 121.244 0.545 . . . . 0.0 110.767 -178.988 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 103' ' ' THR . . . . . . . . . . . . . 22.2 m -119.29 -9.18 9.97 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-O 121.257 0.551 . . . . 0.0 110.715 178.93 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 104' ' ' VAL . . . . . 0.451 HG23 ' O ' ' A' ' 100' ' ' ASP . 51.9 t -102.47 135.14 41.02 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 CA-C-N 116.359 -0.382 . . . . 0.0 110.697 -177.206 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 105' ' ' LEU . . . . . . . . . . . . . 7.1 mp -87.52 82.71 7.4 Favored 'General case' 0 C--N 1.325 -0.459 0 CA-C-N 116.266 -0.424 . . . . 0.0 110.489 -179.08 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 106' ' ' GLY . . . . . . . . . . . . . . . -80.89 97.55 1.76 Allowed Glycine 0 N--CA 1.45 -0.407 0 C-N-CA 120.843 -0.694 . . . . 0.0 111.918 178.852 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 107' ' ' ALA . . . . . . . . . . . . . . . -100.29 166.32 11.03 Favored 'General case' 0 C--N 1.325 -0.486 0 CA-C-O 121.121 0.486 . . . . 0.0 111.431 -177.074 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 108' ' ' GLY . . . . . . . . . . . . . . . 139.69 -124.87 2.83 Favored Glycine 0 N--CA 1.446 -0.633 0 N-CA-C 110.149 -1.18 . . . . 0.0 110.149 -178.07 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 109' ' ' GLY . . . . . 0.431 ' O ' ' HB3' ' A' ' 110' ' ' ASN . . . -108.49 93.08 0.77 Allowed Glycine 0 N--CA 1.443 -0.866 0 C-N-CA 119.441 -1.361 . . . . 0.0 110.219 168.976 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 110' ' ' ASN . . . . . 0.533 ' H ' ' HA2' ' A' ' 69' ' ' GLY . 4.8 p-10 161.23 137.44 0.01 OUTLIER 'General case' 0 N--CA 1.466 0.371 0 C-N-CA 123.758 0.823 . . . . 0.0 109.056 -173.656 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 111' ' ' ASN . . . . . 0.585 ' OD1' ' HA ' ' A' ' 64' ' ' ARG . 25.7 p-10 -88.96 -13.47 38.88 Favored 'General case' 0 C--N 1.321 -0.67 0 N-CA-C 108.242 -1.022 . . . . 0.0 108.242 171.653 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 112' ' ' ALA . . . . . 0.656 ' OXT' ' HD3' ' A' ' 64' ' ' ARG . . . . . . . . 0 C--O 1.245 0.823 0 CA-C-N 115.128 -0.942 . . . . 0.0 109.055 177.833 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 37.1 m . . . . . 0 N--CA 1.481 1.087 0 CA-C-O 120.915 0.388 . . . . 0.0 111.345 . . . . . . . . . 0 0 . 1 . 017 nuclear nobuild full ' A' A ' 7' ' ' MET . . . . . . . . . . . . . 50.8 mtt -134.47 119.92 19.11 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-O 120.741 0.305 . . . . 0.0 111.058 178.831 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -79.22 -8.71 59.23 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-O 121.209 0.528 . . . . 0.0 110.702 178.81 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 9' ' ' GLN . . . . . . . . . . . . . 25.5 mt-30 -82.13 -33.86 29.45 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-N 115.839 -0.619 . . . . 0.0 110.01 174.256 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -87.39 -50.15 6.75 Favored 'General case' 0 C--N 1.325 -0.49 0 CA-C-N 115.662 -0.699 . . . . 0.0 110.673 -179.631 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -80.4 150.57 29.76 Favored 'General case' 0 C--N 1.324 -0.531 0 CA-C-N 116.177 -0.465 . . . . 0.0 109.987 178.612 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 35.0 tt0 -75.09 109.49 8.61 Favored 'General case' 0 C--N 1.322 -0.605 0 N-CA-C 109.747 -0.464 . . . . 0.0 109.747 179.852 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 13' ' ' GLN . . . . . 0.577 ' H ' ' NE2' ' A' ' 13' ' ' GLN . 0.0 OUTLIER -64.76 135.77 56.19 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-O 121.106 0.479 . . . . 0.0 110.24 -179.312 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 14' ' ' LYS . . . . . 0.554 ' O ' ' HA ' ' A' ' 56' ' ' SER . 73.9 mmtt -108.36 142.81 38.13 Favored 'General case' 0 C--N 1.319 -0.725 0 CA-C-N 115.769 -0.65 . . . . 0.0 109.884 -175.008 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 15' ' ' ASN . . . . . . . . . . . . . 18.4 m120 -80.65 104.13 10.97 Favored 'General case' 0 C--N 1.322 -0.618 0 CA-C-O 120.963 0.411 . . . . 0.0 110.41 178.975 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 16' ' ' PHE . . . . . 0.415 ' O ' ' HA ' ' A' ' 54' ' ' ASN . 86.1 m-85 -99.3 109.83 22.42 Favored 'General case' 0 C--N 1.319 -0.745 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.38 -179.389 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 82.4 m-20 -118.32 88.62 2.96 Favored 'General case' 0 C--N 1.322 -0.608 0 N-CA-C 109.217 -0.66 . . . . 0.0 109.217 176.006 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 18' ' ' ILE . . . . . . . . . . . . . 14.4 mt -127.0 119.26 52.58 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.578 0 CA-C-O 120.747 0.308 . . . . 0.0 110.782 -175.471 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -77.91 160.28 28.34 Favored 'General case' 0 C--N 1.325 -0.499 0 N-CA-C 109.109 -0.7 . . . . 0.0 109.109 173.799 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -70.21 102.74 2.17 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 121.39 0.614 . . . . 0.0 111.34 -174.186 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 21' ' ' GLN . . . . . . . . . . . . . 78.7 mt-30 -106.09 169.81 6.52 Favored Pre-proline 0 C--N 1.322 -0.619 0 CA-C-N 115.145 -0.934 . . . . 0.0 110.211 175.198 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 22' ' ' PRO . . . . . 0.443 ' HA ' ' O ' ' A' ' 48' ' ' MET . 52.8 Cg_exo -53.47 133.31 52.81 Favored 'Trans proline' 0 C--N 1.348 0.503 0 C-N-CA 121.952 1.768 . . . . 0.0 109.991 166.738 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 56.5 tp -51.3 -45.94 62.35 Favored 'General case' 0 N--CA 1.467 0.413 0 N-CA-C 112.981 0.734 . . . . 0.0 112.981 -167.238 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 11.1 mm100 -64.86 -32.9 74.82 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-O 120.856 0.36 . . . . 0.0 110.995 -176.709 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 18.7 m -86.9 -25.77 24.27 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.712 179.817 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -62.38 -45.72 91.9 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-O 121.405 0.621 . . . . 0.0 110.173 175.762 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 27' ' ' MET . . . . . 0.535 ' HG3' ' CG1' ' A' ' 38' ' ' VAL . 25.6 mmt -74.14 -19.12 60.67 Favored 'General case' 0 C--N 1.322 -0.594 0 CA-C-N 115.458 -0.792 . . . . 0.0 110.464 178.102 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 28' ' ' LEU . . . . . 0.578 ' O ' ' HB3' ' A' ' 32' ' ' GLU . 5.7 tt -65.63 -26.34 67.78 Favored 'General case' 0 C--N 1.321 -0.672 0 N-CA-C 108.718 -0.845 . . . . 0.0 108.718 174.1 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 29' ' ' ARG . . . . . 0.6 ' HA ' ' NH1' ' A' ' 29' ' ' ARG . 9.6 mmm180 -73.53 -55.37 6.41 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.36 -0.382 . . . . 0.0 111.09 179.722 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 7.9 t80 -79.94 -55.86 4.67 Favored 'General case' 0 C--N 1.325 -0.485 0 CA-C-O 121.243 0.544 . . . . 0.0 111.558 -178.231 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -69.21 -16.98 63.73 Favored 'General case' 0 C--N 1.319 -0.739 0 CA-C-N 116.007 -0.542 . . . . 0.0 112.334 -169.963 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 32' ' ' GLU . . . . . 0.578 ' HB3' ' O ' ' A' ' 28' ' ' LEU . 8.5 pt-20 -60.75 -33.13 72.47 Favored 'General case' 0 N--CA 1.471 0.588 0 C-N-CA 120.016 -0.673 . . . . 0.0 110.302 175.842 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 33' ' ' GLN . . . . . . . . . . . . . 85.7 mm-40 -77.84 -27.64 49.95 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-O 121.233 0.539 . . . . 0.0 109.929 -179.778 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -88.72 -7.19 56.74 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-N 115.612 -0.722 . . . . 0.0 111.337 179.346 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 77.39 29.77 55.31 Favored Glycine 0 C--N 1.33 0.23 0 C-N-CA 121.135 -0.555 . . . . 0.0 112.207 -179.663 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 36' ' ' MET . . . . . 0.414 ' HG2' ' HA2' ' A' ' 80' ' ' GLY . 64.8 mtp -134.61 173.31 11.81 Favored 'General case' 0 C--N 1.323 -0.577 0 CA-C-O 120.649 0.262 . . . . 0.0 110.903 -174.361 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 37' ' ' GLN . . . . . 0.475 ' O ' ' HA ' ' A' ' 81' ' ' GLN . 55.6 tt0 -161.8 160.27 28.05 Favored 'General case' 0 C--N 1.327 -0.401 0 N-CA-C 108.635 -0.876 . . . . 0.0 108.635 171.165 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 38' ' ' VAL . . . . . 0.535 ' CG1' ' HG3' ' A' ' 27' ' ' MET . 0.7 OUTLIER -76.63 134.64 28.42 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.398 0 CA-C-O 121.031 0.443 . . . . 0.0 110.532 -179.851 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 39' ' ' PHE . . . . . . . . . . . . . 77.7 t80 -115.74 119.54 36.39 Favored 'General case' 0 C--N 1.321 -0.65 0 CA-C-N 115.739 -0.664 . . . . 0.0 110.939 -175.88 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 40' ' ' PHE . . . . . . . . . . . . . 80.4 m-85 -129.13 170.37 13.61 Favored 'General case' 0 C--N 1.316 -0.853 0 N-CA-C 108.543 -0.91 . . . . 0.0 108.543 174.508 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 26.3 t70 -76.18 143.66 40.99 Favored 'General case' 0 C--N 1.321 -0.645 0 N-CA-C 109.341 -0.614 . . . . 0.0 109.341 177.923 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 46.5 mt-10 -62.53 95.79 0.07 Allowed 'General case' 0 C--N 1.328 -0.341 0 CA-C-O 121.295 0.569 . . . . 0.0 111.375 -177.201 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 43' ' ' VAL . . . . . . . . . . . . . 9.1 p -130.01 140.76 48.14 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.742 0 CA-C-N 115.194 -0.912 . . . . 0.0 109.589 177.633 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 24.0 ttmm -87.39 88.15 7.6 Favored 'General case' 0 C--N 1.322 -0.623 0 N-CA-C 109.213 -0.662 . . . . 0.0 109.213 177.243 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 69.1 tp -123.41 116.07 22.66 Favored 'General case' 0 C--N 1.319 -0.757 0 CA-C-N 115.384 -0.825 . . . . 0.0 110.033 -177.984 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 16.0 t70 -85.12 144.26 28.32 Favored 'General case' 0 C--N 1.319 -0.748 0 N-CA-C 109.331 -0.618 . . . . 0.0 109.331 177.264 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 114.19 8.1 17.82 Favored Glycine 0 N--CA 1.444 -0.769 0 C-N-CA 120.462 -0.875 . . . . 0.0 112.03 -179.25 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 48' ' ' MET . . . . . 0.443 ' O ' ' HA ' ' A' ' 22' ' ' PRO . 66.7 mtt -70.64 117.74 12.55 Favored 'General case' 0 N--CA 1.451 -0.384 0 N-CA-C 108.804 -0.813 . . . . 0.0 108.804 175.559 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 27.0 pt20 -153.19 140.01 19.06 Favored 'General case' 0 C--N 1.318 -0.774 0 CA-C-O 121.037 0.446 . . . . 0.0 110.993 -174.625 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -91.72 165.22 13.41 Favored 'General case' 0 C--N 1.317 -0.83 0 CA-C-N 115.385 -0.825 . . . . 0.0 109.451 174.77 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -93.49 154.42 17.91 Favored 'General case' 0 C--N 1.318 -0.778 0 CA-C-N 116.383 -0.372 . . . . 0.0 110.072 179.272 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -64.67 97.13 0.2 Allowed 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.55 179.097 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 57.4 tp -97.41 119.02 35.19 Favored 'General case' 0 C--N 1.322 -0.629 0 CA-C-N 115.6 -0.727 . . . . 0.0 110.701 -176.562 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 54' ' ' ASN . . . . . 0.415 ' HA ' ' O ' ' A' ' 16' ' ' PHE . 25.3 t-20 -146.89 98.25 3.02 Favored 'General case' 0 C--N 1.322 -0.621 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.106 177.564 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . 178.18 160.13 24.01 Favored Glycine 0 N--CA 1.448 -0.53 0 C-N-CA 120.714 -0.755 . . . . 0.0 112.255 179.416 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 56' ' ' SER . . . . . 0.554 ' HA ' ' O ' ' A' ' 14' ' ' LYS . 22.6 p -98.47 108.24 20.89 Favored 'General case' 0 C--N 1.323 -0.549 0 N-CA-C 109.934 -0.395 . . . . 0.0 109.934 174.946 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 57' ' ' MET . . . . . . . . . . . . . 20.9 ptp -148.55 -175.71 5.03 Favored 'General case' 0 C--N 1.323 -0.549 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.218 -175.405 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 12.9 m -88.67 177.35 6.78 Favored 'General case' 0 C--N 1.324 -0.538 0 N-CA-C 110.429 -0.212 . . . . 0.0 110.429 179.744 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 59' ' ' VAL . . . . . . . . . . . . . 40.6 t -62.16 -43.26 97.62 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 CA-C-O 120.711 0.291 . . . . 0.0 111.126 -176.755 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 60' ' ' GLU . . . . . 0.587 ' HA ' ' CZ ' ' A' ' 74' ' ' PHE . 26.2 mt-10 -56.88 -60.52 3.45 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 116.074 -0.512 . . . . 0.0 112.008 -179.049 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 61' ' ' GLN . . . . . 0.435 ' HA ' ' OE1' ' A' ' 61' ' ' GLN . 16.6 mm-40 -63.66 -32.52 74.02 Favored 'General case' 0 C--N 1.324 -0.523 0 CA-C-N 116.364 -0.38 . . . . 0.0 110.353 179.222 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 62' ' ' GLY . . . . . 0.557 ' O ' ' HB2' ' A' ' 66' ' ' LEU . . . -59.77 -58.41 14.36 Favored Glycine 0 N--CA 1.445 -0.704 0 CA-C-N 115.83 -0.623 . . . . 0.0 111.882 177.058 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 63' ' ' LEU . . . . . 0.491 ' O ' HG13 ' A' ' 67' ' ' ILE . 4.2 mm? -58.21 -43.96 87.9 Favored 'General case' 0 C--N 1.331 -0.204 0 CA-C-N 116.681 0.24 . . . . 0.0 111.049 179.659 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 64' ' ' ARG . . . . . . . . . . . . . 51.3 mtp180 -52.29 -54.42 31.72 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.354 -0.384 . . . . 0.0 110.968 178.048 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 65' ' ' ARG . . . . . 0.535 ' HA ' ' HA2' ' A' ' 69' ' ' GLY . 97.0 mtt180 -80.03 -17.81 51.8 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.403 -0.362 . . . . 0.0 111.724 -175.966 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 66' ' ' LEU . . . . . 0.557 ' HB2' ' O ' ' A' ' 62' ' ' GLY . 3.1 tt -73.99 -47.43 37.32 Favored 'General case' 0 C--N 1.323 -0.575 0 CA-C-O 121.124 0.488 . . . . 0.0 109.817 178.903 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 67' ' ' ILE . . . . . 0.491 HG13 ' O ' ' A' ' 63' ' ' LEU . 11.1 mt -83.81 -62.36 1.49 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 CA-C-N 116.08 -0.509 . . . . 0.0 111.317 -174.528 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . -113.8 -44.21 0.77 Allowed Glycine 0 CA--C 1.519 0.341 0 C-N-CA 120.621 -0.799 . . . . 0.0 114.13 -174.28 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 69' ' ' GLY . . . . . 0.535 ' HA2' ' HA ' ' A' ' 65' ' ' ARG . . . 103.79 -12.75 53.42 Favored Glycine 0 CA--C 1.513 -0.082 0 N-CA-C 110.452 -1.059 . . . . 0.0 110.452 -168.642 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 70' ' ' ASN . . . . . . . . . . . . . 21.0 p-10 -100.34 167.08 11.49 Favored Pre-proline 0 C--N 1.32 -0.708 0 CA-C-N 114.386 -0.907 . . . . 0.0 110.614 -177.404 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 71' ' ' PRO . . . . . . . . . . . . . 16.3 Cg_exo -69.01 124.89 11.86 Favored 'Trans proline' 0 C--N 1.346 0.408 0 C-N-CA 122.589 2.192 . . . . 0.0 110.802 170.814 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 72' ' ' VAL . . . . . 0.426 HG11 ' ND2' ' A' ' 111' ' ' ASN . 8.8 p -148.3 158.8 7.47 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.602 0 N-CA-C 109.623 -0.51 . . . . 0.0 109.623 -174.816 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 73' ' ' ALA . . . . . 0.526 ' HB3' ' O ' ' A' ' 85' ' ' SER . . . -104.99 119.0 37.94 Favored 'General case' 0 N--CA 1.442 -0.839 0 CA-C-N 116.405 -0.361 . . . . 0.0 110.957 -178.671 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 74' ' ' PHE . . . . . 0.587 ' CZ ' ' HA ' ' A' ' 60' ' ' GLU . 6.1 p90 -125.48 133.69 52.32 Favored 'General case' 0 C--N 1.32 -0.691 0 CA-C-O 120.966 0.412 . . . . 0.0 110.017 -179.343 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 75' ' ' ARG . . . . . . . . . . . . . 24.2 mmt180 -103.24 119.67 39.3 Favored 'General case' 0 C--N 1.317 -0.811 0 CA-C-N 116.075 -0.511 . . . . 0.0 110.434 177.005 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 76' ' ' LEU . . . . . . . . . . . . . 71.5 mt -86.77 98.5 11.2 Favored 'General case' 0 C--N 1.321 -0.657 0 N-CA-C 108.911 -0.774 . . . . 0.0 108.911 176.337 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 77' ' ' GLN . . . . . . . . . . . . . 18.7 mt-30 -87.65 130.16 48.13 Favored Pre-proline 0 C--N 1.32 -0.704 0 CA-C-N 115.948 -0.569 . . . . 0.0 110.903 -175.359 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 78' ' ' PRO . . . . . . . . . . . . . 50.5 Cg_exo -57.31 -17.21 25.46 Favored 'Trans proline' 0 C--N 1.347 0.494 0 C-N-CA 123.365 2.71 . . . . 0.0 112.523 176.161 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 79' ' ' GLN . . . . . . . . . . . . . 43.7 mt-30 -73.17 -3.32 25.85 Favored 'General case' 0 C--O 1.233 0.188 0 CA-C-N 116.097 -0.502 . . . . 0.0 111.178 175.404 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 80' ' ' GLY . . . . . 0.414 ' HA2' ' HG2' ' A' ' 36' ' ' MET . . . 90.02 34.89 7.94 Favored Glycine 0 N--CA 1.445 -0.732 0 C-N-CA 120.968 -0.634 . . . . 0.0 112.376 179.224 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 81' ' ' GLN . . . . . 0.475 ' HA ' ' O ' ' A' ' 37' ' ' GLN . 18.0 mt-30 -129.16 133.5 47.63 Favored 'General case' 0 C--N 1.325 -0.463 0 CA-C-O 120.859 0.361 . . . . 0.0 111.529 -177.316 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 82' ' ' ILE . . . . . 0.432 ' HB ' HG12 ' A' ' 38' ' ' VAL . 56.0 mt -107.31 104.25 16.77 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.587 0 N-CA-C 108.563 -0.903 . . . . 0.0 108.563 170.621 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 83' ' ' VAL . . . . . . . . . . . . . 59.7 t -118.61 130.69 73.1 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.556 0 CA-C-O 120.752 0.311 . . . . 0.0 110.825 -176.671 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 84' ' ' LEU . . . . . 0.423 ' CD1' ' HB3' ' A' ' 74' ' ' PHE . 2.6 mm? -85.52 166.71 16.06 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-O 121.646 0.736 . . . . 0.0 111.575 179.716 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 85' ' ' SER . . . . . 0.526 ' O ' ' HB3' ' A' ' 73' ' ' ALA . 20.2 t -161.2 167.78 25.42 Favored 'General case' 0 N--CA 1.445 -0.716 0 CA-C-N 114.521 -1.218 . . . . 0.0 108.447 171.516 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 86' ' ' ARG . . . . . . . . . . . . . 8.0 ptp180 -102.78 78.02 1.64 Allowed 'General case' 0 C--N 1.319 -0.739 0 CA-C-O 121.748 0.785 . . . . 0.0 110.76 -178.927 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 87' ' ' LEU . . . . . 0.458 HD23 HD12 ' A' ' 102' ' ' LEU . 10.7 mp -83.4 153.17 65.33 Favored Pre-proline 0 C--N 1.325 -0.472 0 CA-C-N 115.176 -0.92 . . . . 0.0 110.155 178.504 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 88' ' ' PRO . . . . . 0.433 ' HG2' ' HB2' ' A' ' 101' ' ' SER . 6.3 Cg_endo -86.78 63.8 4.55 Favored 'Trans proline' 0 N--CA 1.452 -0.926 0 C-N-CA 122.994 2.463 . . . . 0.0 111.399 -179.959 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 89' ' ' THR . . . . . . . . . . . . . 15.2 m -72.52 95.08 1.76 Allowed 'General case' 0 C--N 1.321 -0.665 0 CA-C-N 115.576 -0.738 . . . . 0.0 110.765 -179.552 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 90' ' ' ALA . . . . . . . . . . . . . . . -101.51 110.53 22.55 Favored 'General case' 0 C--N 1.32 -0.709 0 CA-C-N 115.873 -0.603 . . . . 0.0 110.402 175.833 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 91' ' ' ASN . . . . . . . . . . . . . 9.4 p30 -85.06 -16.87 39.21 Favored 'General case' 0 C--N 1.326 -0.451 0 CA-C-O 120.933 0.397 . . . . 0.0 110.428 179.941 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 92' ' ' GLY . . . . . . . . . . . . . . . -110.23 24.08 19.22 Favored Glycine 0 N--CA 1.448 -0.523 0 C-N-CA 120.71 -0.757 . . . . 0.0 112.414 -179.507 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 17.4 t70 -78.09 -40.26 38.95 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-O 120.805 0.336 . . . . 0.0 110.812 -178.859 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 94' ' ' GLY . . . . . . . . . . . . . . . 95.58 -30.29 8.54 Favored Glycine 0 N--CA 1.45 -0.417 0 C-N-CA 120.967 -0.635 . . . . 0.0 112.563 179.936 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 95' ' ' GLY . . . . . . . . . . . . . . . 119.57 61.48 0.26 Allowed Glycine 0 N--CA 1.446 -0.652 0 C-N-CA 120.681 -0.771 . . . . 0.0 112.509 178.895 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 96' ' ' ALA . . . . . . . . . . . . . . . -141.11 79.69 1.7 Allowed 'General case' 0 C--N 1.323 -0.546 0 N-CA-C 109.918 -0.401 . . . . 0.0 109.918 175.831 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 97' ' ' LEU . . . . . . . . . . . . . 87.7 mt 66.92 -161.07 0.24 Allowed 'General case' 0 N--CA 1.464 0.263 0 CA-C-N 115.769 -0.65 . . . . 0.0 110.069 -173.866 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 98' ' ' ALA . . . . . . . . . . . . . . . 71.96 -52.24 0.7 Allowed 'General case' 0 N--CA 1.471 0.612 0 C-N-CA 123.521 0.728 . . . . 0.0 111.254 -178.189 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 99' ' ' LEU . . . . . . . . . . . . . 4.5 pp -66.16 -13.34 60.03 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.933 177.76 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 100' ' ' ASP . . . . . . . . . . . . . 12.0 t70 -64.99 -49.31 70.77 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 115.958 -0.564 . . . . 0.0 109.892 174.899 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 101' ' ' SER . . . . . 0.433 ' HB2' ' HG2' ' A' ' 88' ' ' PRO . 19.4 m -74.13 -13.09 60.77 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 115.955 -0.566 . . . . 0.0 110.453 178.616 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 102' ' ' LEU . . . . . 0.458 HD12 HD23 ' A' ' 87' ' ' LEU . 49.6 tp -73.59 -18.74 61.03 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 115.733 -0.667 . . . . 0.0 110.054 176.477 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 103' ' ' THR . . . . . . . . . . . . . 22.0 m -73.59 -52.81 12.18 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-O 121.373 0.606 . . . . 0.0 110.537 177.313 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 104' ' ' VAL . . . . . . . . . . . . . 8.4 p -161.41 143.86 3.93 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 CA-C-N 115.513 -0.767 . . . . 0.0 110.064 -177.34 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 105' ' ' LEU . . . . . 0.406 ' N ' HD23 ' A' ' 105' ' ' LEU . 2.4 pt? -163.38 -29.25 0.04 OUTLIER 'General case' 0 C--N 1.326 -0.441 0 CA-C-N 116.452 -0.34 . . . . 0.0 110.532 -179.175 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 106' ' ' GLY . . . . . . . . . . . . . . . 151.32 148.53 4.83 Favored Glycine 0 N--CA 1.444 -0.77 0 C-N-CA 120.846 -0.692 . . . . 0.0 112.379 178.747 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 107' ' ' ALA . . . . . . . . . . . . . . . -100.48 149.85 23.26 Favored 'General case' 0 C--N 1.322 -0.587 0 N-CA-C 110.199 -0.297 . . . . 0.0 110.199 177.444 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 108' ' ' GLY . . . . . . . . . . . . . . . 120.05 98.99 1.74 Allowed Glycine 0 N--CA 1.447 -0.583 0 C-N-CA 120.515 -0.85 . . . . 0.0 112.402 179.504 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 109' ' ' GLY . . . . . . . . . . . . . . . -162.64 156.28 27.9 Favored Glycine 0 N--CA 1.445 -0.706 0 N-CA-C 111.449 -0.66 . . . . 0.0 111.449 178.415 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 110' ' ' ASN . . . . . . . . . . . . . 4.2 t-20 -113.64 143.24 44.91 Favored 'General case' 0 C--N 1.323 -0.563 0 N-CA-C 109.696 -0.483 . . . . 0.0 109.696 179.767 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 111' ' ' ASN . . . . . 0.439 ' ND2' ' HB ' ' A' ' 67' ' ' ILE . 58.6 t30 -123.63 68.36 1.02 Allowed 'General case' 0 C--N 1.324 -0.501 0 CA-C-O 121.413 0.625 . . . . 0.0 110.284 -177.625 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 112' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.251 1.152 0 CA-C-O 118.19 -0.909 . . . . 0.0 109.976 179.837 . . . . . . . . 0 0 . 1 . 018 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 32.9 t . . . . . 0 N--CA 1.477 0.879 0 N-CA-C 110.196 -0.298 . . . . 0.0 110.196 . . . . . . . . . 0 0 . 1 . 018 nuclear nobuild full ' A' A ' 7' ' ' MET . . . . . . . . . . . . . 75.0 mtm 62.32 76.0 0.38 Allowed 'General case' 0 C--O 1.232 0.177 0 O-C-N 123.702 0.626 . . . . 0.0 111.426 -179.26 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -88.13 -48.0 8.05 Favored 'General case' 0 C--N 1.326 -0.451 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.188 176.957 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 9' ' ' GLN . . . . . . . . . . . . . 52.8 tt0 -76.28 -28.91 57.22 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.092 -0.504 . . . . 0.0 109.948 179.341 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -89.14 9.2 26.42 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 115.726 -0.67 . . . . 0.0 111.011 179.081 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -79.53 47.66 0.85 Allowed 'General case' 0 C--N 1.33 -0.266 0 CA-C-O 121.273 0.558 . . . . 0.0 110.363 177.79 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 11.7 pt20 -140.55 165.73 26.65 Favored 'General case' 0 C--N 1.321 -0.671 0 CA-C-N 115.521 -0.763 . . . . 0.0 110.114 -176.028 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 10.7 pt20 -135.0 157.29 47.32 Favored 'General case' 0 C--N 1.319 -0.726 0 CA-C-N 116.126 -0.488 . . . . 0.0 109.856 175.903 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 14' ' ' LYS . . . . . 0.519 ' HB2' ' CE2' ' A' ' 16' ' ' PHE . 28.3 mmmt -122.84 146.07 47.88 Favored 'General case' 0 C--N 1.321 -0.659 0 N-CA-C 109.849 -0.426 . . . . 0.0 109.849 -178.929 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 15' ' ' ASN . . . . . . . . . . . . . 10.3 t30 -93.0 101.92 14.26 Favored 'General case' 0 C--N 1.322 -0.62 0 CA-C-O 120.954 0.407 . . . . 0.0 110.095 179.04 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 16' ' ' PHE . . . . . 0.519 ' CE2' ' HB2' ' A' ' 14' ' ' LYS . 91.4 m-85 -100.49 134.92 42.73 Favored 'General case' 0 C--N 1.322 -0.623 0 CA-C-N 115.838 -0.619 . . . . 0.0 110.556 -178.604 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 3.4 p30 -132.62 89.35 2.63 Favored 'General case' 0 C--N 1.32 -0.714 0 CA-C-O 121.599 0.714 . . . . 0.0 109.19 173.127 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 18' ' ' ILE . . . . . 0.436 ' HB ' ' HB3' ' A' ' 53' ' ' LEU . 21.4 mm -115.21 115.75 50.39 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.522 0 CA-C-N 115.551 -0.749 . . . . 0.0 110.705 -173.181 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -72.68 153.98 40.94 Favored 'General case' 0 C--N 1.324 -0.513 0 N-CA-C 108.789 -0.819 . . . . 0.0 108.789 171.577 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -68.7 101.63 1.35 Allowed 'General case' 0 N--CA 1.454 -0.274 0 CA-C-O 121.637 0.732 . . . . 0.0 110.679 -175.341 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 21' ' ' GLN . . . . . . . . . . . . . 35.9 mt-30 -107.14 170.72 5.34 Favored Pre-proline 0 C--N 1.319 -0.73 0 CA-C-N 114.647 -1.16 . . . . 0.0 109.599 174.996 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 22' ' ' PRO . . . . . . . . . . . . . 54.5 Cg_exo -54.04 130.35 39.0 Favored 'Trans proline' 0 N--CA 1.461 -0.432 0 C-N-CA 121.657 1.571 . . . . 0.0 109.861 165.012 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -51.26 -44.57 61.81 Favored 'General case' 0 C--N 1.327 -0.375 0 N-CA-C 112.541 0.571 . . . . 0.0 112.541 -166.561 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 24' ' ' GLN . . . . . 0.503 ' HG3' ' C ' ' A' ' 112' ' ' ALA . 67.7 mt-30 -52.38 -55.73 19.7 Favored 'General case' 0 N--CA 1.465 0.321 0 O-C-N 123.235 0.334 . . . . 0.0 111.9 176.895 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 25' ' ' SER . . . . . 0.671 ' O ' ' HG2' ' A' ' 29' ' ' ARG . 19.1 p -69.74 -25.3 63.77 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.717 -0.22 . . . . 0.0 111.525 -178.616 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -56.73 -56.48 20.96 Favored 'General case' 0 C--O 1.234 0.243 0 CA-C-O 121.296 0.569 . . . . 0.0 111.173 -178.688 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 27' ' ' MET . . . . . 0.423 ' HA ' ' CE2' ' A' ' 30' ' ' PHE . 43.6 mtt -74.39 -29.17 61.42 Favored 'General case' 0 C--N 1.321 -0.648 0 CA-C-N 115.868 -0.606 . . . . 0.0 109.947 179.982 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 50.9 tp -58.31 -25.45 61.9 Favored 'General case' 0 C--O 1.213 -0.843 0 CA-C-N 116.387 -0.37 . . . . 0.0 110.277 176.843 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 29' ' ' ARG . . . . . 0.671 ' HG2' ' O ' ' A' ' 25' ' ' SER . 1.5 mmp_? -74.21 -60.76 2.12 Favored 'General case' 0 C--N 1.327 -0.394 0 O-C-N 122.259 -0.276 . . . . 0.0 111.575 178.667 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 30' ' ' PHE . . . . . 0.423 ' CE2' ' HA ' ' A' ' 27' ' ' MET . 5.2 p90 -80.85 -40.11 25.37 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-O 121.168 0.509 . . . . 0.0 111.469 -173.453 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 31' ' ' ALA . . . . . 0.436 ' HB1' ' HB2' ' A' ' 36' ' ' MET . . . -74.53 -33.5 62.77 Favored 'General case' 0 C--N 1.323 -0.561 0 CA-C-N 115.852 -0.613 . . . . 0.0 111.761 -172.636 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 8.0 pt-20 -61.79 -33.05 73.42 Favored 'General case' 0 N--CA 1.466 0.373 0 C-N-CA 120.085 -0.646 . . . . 0.0 110.351 -178.948 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 33' ' ' GLN . . . . . . . . . . . . . 76.7 mt-30 -76.67 -19.66 57.51 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 115.867 -0.606 . . . . 0.0 110.579 -179.47 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -95.14 -8.02 37.59 Favored 'General case' 0 C--N 1.326 -0.449 0 CA-C-N 116.053 -0.521 . . . . 0.0 111.15 177.574 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 88.96 34.95 8.5 Favored Glycine 0 N--CA 1.451 -0.302 0 C-N-CA 120.959 -0.639 . . . . 0.0 112.294 -179.642 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 36' ' ' MET . . . . . 0.436 ' HB2' ' HB1' ' A' ' 31' ' ' ALA . 89.6 mtp -135.27 157.39 47.04 Favored 'General case' 0 C--N 1.327 -0.37 0 N-CA-C 110.173 -0.306 . . . . 0.0 110.173 -179.246 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 37' ' ' GLN . . . . . 0.432 ' O ' ' HA ' ' A' ' 81' ' ' GLN . 10.2 tt0 -151.66 159.05 44.17 Favored 'General case' 0 C--N 1.325 -0.47 0 N-CA-C 109.994 -0.373 . . . . 0.0 109.994 -179.637 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 21.4 t -77.67 133.27 30.92 Favored 'Isoleucine or valine' 0 C--O 1.235 0.307 0 CA-C-N 116.577 -0.283 . . . . 0.0 110.412 -177.773 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 39' ' ' PHE . . . . . 0.49 ' HB2' ' HB2' ' A' ' 81' ' ' GLN . 86.4 t80 -101.49 123.19 45.13 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.293 -0.412 . . . . 0.0 110.78 -178.154 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 40' ' ' PHE . . . . . . . . . . . . . 20.6 p90 -167.69 140.92 3.35 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-N 115.929 -0.578 . . . . 0.0 110.098 178.86 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 9.1 p-10 -79.45 -177.68 5.9 Favored 'General case' 0 C--N 1.326 -0.456 0 N-CA-C 109.542 -0.54 . . . . 0.0 109.542 176.274 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 42.2 mt-10 -67.35 89.48 0.21 Allowed 'General case' 0 C--O 1.235 0.34 0 CA-C-O 121.406 0.622 . . . . 0.0 111.395 -176.005 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 43' ' ' VAL . . . . . . . . . . . . . 28.0 m -131.73 -177.99 2.41 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.586 0 CA-C-N 115.478 -0.783 . . . . 0.0 110.421 -179.275 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 38.6 ttpt -139.0 121.06 15.67 Favored 'General case' 0 C--N 1.32 -0.688 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.032 177.041 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 59.3 tp -106.6 98.98 8.58 Favored 'General case' 0 C--N 1.32 -0.704 0 N-CA-C 109.519 -0.549 . . . . 0.0 109.519 175.587 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 28.5 t70 -68.23 127.07 31.6 Favored 'General case' 0 C--N 1.324 -0.528 0 CA-C-N 116.319 -0.4 . . . . 0.0 110.174 179.669 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 89.36 17.23 55.82 Favored Glycine 0 N--CA 1.444 -0.811 0 C-N-CA 120.718 -0.753 . . . . 0.0 111.797 -177.745 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 48' ' ' MET . . . . . . . . . . . . . 23.1 ptt? -57.66 118.37 5.19 Favored 'General case' 0 C--O 1.234 0.243 0 CA-C-O 121.169 0.509 . . . . 0.0 110.475 178.613 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 10.1 tt0 -164.38 143.45 7.35 Favored 'General case' 0 C--N 1.322 -0.59 0 CA-C-N 116.048 -0.524 . . . . 0.0 110.174 -177.596 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -83.41 148.0 27.54 Favored 'General case' 0 C--N 1.32 -0.712 0 CA-C-N 115.929 -0.578 . . . . 0.0 110.154 178.034 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -76.34 170.93 15.42 Favored 'General case' 0 C--N 1.322 -0.593 0 CA-C-N 116.1 -0.5 . . . . 0.0 109.916 176.967 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -69.27 89.33 0.47 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 121.174 0.511 . . . . 0.0 110.227 179.546 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 53' ' ' LEU . . . . . 0.436 ' HB3' ' HB ' ' A' ' 18' ' ' ILE . 0.8 OUTLIER -99.31 99.48 10.43 Favored 'General case' 0 N--CA 1.446 -0.668 0 CA-C-N 115.759 -0.655 . . . . 0.0 109.86 -174.718 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 54' ' ' ASN . . . . . . . . . . . . . 4.2 p30 -144.58 99.76 3.41 Favored 'General case' 0 C--N 1.321 -0.65 0 CA-C-N 116.024 -0.535 . . . . 0.0 110.337 179.107 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . 177.92 169.63 39.11 Favored Glycine 0 N--CA 1.449 -0.482 0 C-N-CA 120.553 -0.832 . . . . 0.0 112.548 179.604 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 23.1 t -105.38 106.28 16.7 Favored 'General case' 0 C--N 1.322 -0.591 0 N-CA-C 109.142 -0.688 . . . . 0.0 109.142 175.381 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 57' ' ' MET . . . . . . . . . . . . . 10.5 ptt? -156.24 168.5 27.12 Favored 'General case' 0 C--N 1.324 -0.537 0 CA-C-N 116.085 -0.507 . . . . 0.0 110.516 -173.44 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 32.2 m -75.63 163.73 27.03 Favored 'General case' 0 C--N 1.324 -0.533 0 CA-C-N 116.467 -0.333 . . . . 0.0 111.109 -176.577 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 59' ' ' VAL . . . . . . . . . . . . . 29.4 t -53.5 -42.19 48.45 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.396 0 CA-C-O 120.553 0.216 . . . . 0.0 111.394 -176.615 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 60' ' ' GLU . . . . . 0.541 ' HA ' ' CZ ' ' A' ' 74' ' ' PHE . 44.1 mt-10 -55.07 -51.25 66.95 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-N 116.277 -0.42 . . . . 0.0 111.563 178.026 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 61' ' ' GLN . . . . . . . . . . . . . 30.4 mm-40 -68.97 -38.85 79.61 Favored 'General case' 0 C--N 1.325 -0.487 0 CA-C-O 120.788 0.328 . . . . 0.0 110.797 -179.852 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 62' ' ' GLY . . . . . 0.469 ' O ' ' HB2' ' A' ' 66' ' ' LEU . . . -62.74 -56.8 19.11 Favored Glycine 0 N--CA 1.446 -0.687 0 C-N-CA 121.045 -0.598 . . . . 0.0 112.509 -178.957 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 63' ' ' LEU . . . . . 0.437 ' O ' HG13 ' A' ' 67' ' ' ILE . 3.8 mm? -64.97 -46.25 82.28 Favored 'General case' 0 C--N 1.327 -0.401 0 N-CA-C 112.022 0.378 . . . . 0.0 112.022 -175.456 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 64' ' ' ARG . . . . . . . . . . . . . 74.3 mtt180 -59.3 -37.76 78.51 Favored 'General case' 0 N--CA 1.466 0.33 0 CA-C-O 120.755 0.312 . . . . 0.0 111.365 -177.705 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 65' ' ' ARG . . . . . . . . . . . . . 67.8 ttt180 -78.53 -39.4 38.01 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-O 120.79 0.328 . . . . 0.0 110.57 177.742 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 66' ' ' LEU . . . . . 0.469 ' HB2' ' O ' ' A' ' 62' ' ' GLY . 4.5 tt -59.85 -42.54 93.85 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 115.818 -0.628 . . . . 0.0 110.365 -179.95 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 67' ' ' ILE . . . . . 0.53 HG21 HD13 ' A' ' 84' ' ' LEU . 71.8 mt -73.81 -62.11 1.44 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.417 0 CA-C-N 115.573 -0.74 . . . . 0.0 111.059 -179.131 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . -113.43 -59.64 0.41 Allowed Glycine 0 N--CA 1.446 -0.686 0 C-N-CA 120.605 -0.807 . . . . 0.0 113.653 -175.556 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . 101.89 -19.86 47.99 Favored Glycine 0 N--CA 1.451 -0.343 0 N-CA-C 110.076 -1.21 . . . . 0.0 110.076 -168.833 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 70' ' ' ASN . . . . . . . . . . . . . 16.0 m120 -98.62 161.98 23.28 Favored Pre-proline 0 C--N 1.323 -0.559 0 CA-C-N 114.525 -0.838 . . . . 0.0 108.814 175.689 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 71' ' ' PRO . . . . . . . . . . . . . 18.7 Cg_endo -60.18 98.81 0.13 Allowed 'Trans proline' 0 C--N 1.347 0.456 0 C-N-CA 122.125 1.883 . . . . 0.0 112.124 177.144 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 72' ' ' VAL . . . . . . . . . . . . . 9.6 p -143.01 159.57 17.93 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.683 0 N-CA-C 108.55 -0.907 . . . . 0.0 108.55 -179.706 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 73' ' ' ALA . . . . . 0.453 ' HB3' ' HB2' ' A' ' 87' ' ' LEU . . . -115.64 133.6 55.87 Favored 'General case' 0 N--CA 1.445 -0.713 0 C-N-CA 120.567 -0.453 . . . . 0.0 111.56 -170.841 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 74' ' ' PHE . . . . . 0.644 ' CE1' ' HG ' ' A' ' 76' ' ' LEU . 3.2 p90 -105.99 159.61 15.92 Favored 'General case' 0 C--N 1.315 -0.895 0 N-CA-C 108.65 -0.87 . . . . 0.0 108.65 171.895 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 75' ' ' ARG . . . . . . . . . . . . . 58.7 mtm180 -123.56 104.61 9.15 Favored 'General case' 0 C--N 1.317 -0.827 0 CA-C-O 121.131 0.491 . . . . 0.0 110.366 175.131 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 76' ' ' LEU . . . . . 0.644 ' HG ' ' CE1' ' A' ' 74' ' ' PHE . 50.0 mt -92.27 122.8 35.09 Favored 'General case' 0 C--N 1.324 -0.514 0 CA-C-N 115.661 -0.7 . . . . 0.0 110.015 177.639 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 77' ' ' GLN . . . . . . . . . . . . . 23.3 mt-30 -114.12 142.6 28.22 Favored Pre-proline 0 C--N 1.316 -0.868 0 CA-C-N 116.039 -0.528 . . . . 0.0 109.8 179.715 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 78' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_exo -54.59 -10.42 2.38 Favored 'Trans proline' 0 C--N 1.352 0.712 0 C-N-CA 123.958 3.106 . . . . 0.0 114.107 -176.571 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 79' ' ' GLN . . . . . . . . . . . . . 76.3 mt-30 -67.11 -19.83 65.69 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 121.038 0.447 . . . . 0.0 110.36 174.981 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . 95.75 42.0 3.71 Favored Glycine 0 N--CA 1.449 -0.441 0 C-N-CA 120.931 -0.652 . . . . 0.0 112.301 178.375 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 81' ' ' GLN . . . . . 0.49 ' HB2' ' HB2' ' A' ' 39' ' ' PHE . 13.3 pt20 -131.43 150.79 52.01 Favored 'General case' 0 C--N 1.326 -0.454 0 CA-C-O 120.894 0.378 . . . . 0.0 110.995 -177.97 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 82' ' ' ILE . . . . . 0.549 HG22 HD21 ' A' ' 111' ' ' ASN . 25.6 mt -119.21 123.54 71.52 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.42 0 CA-C-N 115.643 -0.708 . . . . 0.0 110.145 -179.537 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 83' ' ' VAL . . . . . . . . . . . . . 7.1 p -139.08 139.03 40.85 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.537 0 CA-C-O 120.801 0.334 . . . . 0.0 110.714 178.129 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 84' ' ' LEU . . . . . 0.53 HD13 HG21 ' A' ' 67' ' ' ILE . 50.3 tp -88.62 151.39 22.5 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-N 116.176 -0.466 . . . . 0.0 111.108 -178.923 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 85' ' ' SER . . . . . . . . . . . . . 40.2 m -137.49 137.62 38.87 Favored 'General case' 0 N--CA 1.445 -0.707 0 N-CA-C 109.699 -0.482 . . . . 0.0 109.699 177.283 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 86' ' ' ARG . . . . . . . . . . . . . 23.5 tpp180 -76.61 81.0 3.27 Favored 'General case' 0 C--N 1.326 -0.45 0 CA-C-O 121.457 0.646 . . . . 0.0 110.091 -179.718 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 87' ' ' LEU . . . . . 0.491 HD13 ' O ' ' A' ' 102' ' ' LEU . 15.9 mt -136.44 118.79 11.79 Favored Pre-proline 0 C--N 1.322 -0.611 0 CA-C-N 115.243 -0.89 . . . . 0.0 109.425 -178.937 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 88' ' ' PRO . . . . . . . . . . . . . 16.3 Cg_exo -68.48 108.73 1.88 Allowed 'Trans proline' 0 C--O 1.233 0.242 0 C-N-CA 122.684 2.256 . . . . 0.0 112.02 -179.952 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 89' ' ' THR . . . . . . . . . . . . . 6.0 m -52.99 120.89 6.38 Favored 'General case' 0 C--O 1.234 0.248 0 CA-C-N 116.258 -0.428 . . . . 0.0 111.257 -179.707 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 90' ' ' ALA . . . . . . . . . . . . . . . -67.8 107.71 2.71 Favored 'General case' 0 N--CA 1.454 -0.235 0 CA-C-O 120.942 0.401 . . . . 0.0 111.211 -176.559 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 91' ' ' ASN . . . . . . . . . . . . . 8.4 p30 -131.16 -37.69 1.25 Allowed 'General case' 0 C--N 1.324 -0.538 0 CA-C-N 115.974 -0.557 . . . . 0.0 110.456 178.161 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 92' ' ' GLY . . . . . . . . . . . . . . . -87.91 -38.29 7.49 Favored Glycine 0 N--CA 1.45 -0.395 0 C-N-CA 120.742 -0.742 . . . . 0.0 111.966 178.213 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 9.8 t70 -68.78 -30.56 69.16 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-O 121.056 0.455 . . . . 0.0 110.869 178.824 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 94' ' ' GLY . . . . . . . . . . . . . . . 96.89 -30.35 9.11 Favored Glycine 0 N--CA 1.449 -0.475 0 C-N-CA 120.927 -0.654 . . . . 0.0 112.597 -177.765 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 95' ' ' GLY . . . . . . . . . . . . . . . 124.55 -20.87 6.84 Favored Glycine 0 N--CA 1.448 -0.551 0 C-N-CA 119.942 -1.123 . . . . 0.0 113.307 174.243 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 96' ' ' ALA . . . . . 0.456 ' O ' ' HB2' ' A' ' 97' ' ' LEU . . . -57.69 108.08 0.53 Allowed 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 116.814 0.307 . . . . 0.0 111.027 -178.041 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 97' ' ' LEU . . . . . 0.456 ' HB2' ' O ' ' A' ' 96' ' ' ALA . 8.7 mp 74.89 -22.71 0.25 Allowed 'General case' 0 N--CA 1.472 0.645 0 C-N-CA 123.67 0.788 . . . . 0.0 111.621 -178.421 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 98' ' ' ALA . . . . . 0.496 ' O ' ' HG ' ' A' ' 102' ' ' LEU . . . -66.12 -28.62 68.94 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.945 0.402 . . . . 0.0 110.706 -179.968 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 99' ' ' LEU . . . . . . . . . . . . . 84.0 mt -61.37 -31.75 71.64 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 115.882 -0.599 . . . . 0.0 110.664 177.65 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 100' ' ' ASP . . . . . . . . . . . . . 20.3 t70 -72.01 -37.19 69.83 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 121.078 0.466 . . . . 0.0 109.809 176.914 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 18.8 m -65.0 -21.23 66.82 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-N 116.067 -0.515 . . . . 0.0 110.132 176.991 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 102' ' ' LEU . . . . . 0.496 ' HG ' ' O ' ' A' ' 98' ' ' ALA . 83.5 mt -82.14 8.51 10.72 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-N 115.81 -0.632 . . . . 0.0 111.278 178.499 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 103' ' ' THR . . . . . . . . . . . . . 74.1 p -121.41 -3.27 9.41 Favored 'General case' 0 C--N 1.326 -0.44 0 CA-C-O 121.182 0.515 . . . . 0.0 110.547 174.068 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 104' ' ' VAL . . . . . . . . . . . . . 58.8 t -91.13 104.11 15.13 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.51 0 CA-C-N 115.752 -0.658 . . . . 0.0 111.162 -175.934 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 105' ' ' LEU . . . . . . . . . . . . . 55.8 tp 60.44 88.98 0.07 Allowed 'General case' 0 N--CA 1.463 0.212 0 CA-C-N 115.401 -0.818 . . . . 0.0 111.716 176.222 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 106' ' ' GLY . . . . . . . . . . . . . . . -79.22 -31.54 42.0 Favored Glycine 0 N--CA 1.447 -0.576 0 C-N-CA 120.62 -0.8 . . . . 0.0 111.94 178.174 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 107' ' ' ALA . . . . . . . . . . . . . . . -60.86 133.91 56.56 Favored 'General case' 0 C--N 1.325 -0.472 0 CA-C-O 120.859 0.361 . . . . 0.0 111.329 -179.344 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 108' ' ' GLY . . . . . . . . . . . . . . . 164.27 -26.68 0.2 Allowed Glycine 0 N--CA 1.448 -0.566 0 C-N-CA 121.014 -0.612 . . . . 0.0 112.21 -179.601 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 109' ' ' GLY . . . . . . . . . . . . . . . -158.09 137.95 5.54 Favored Glycine 0 N--CA 1.449 -0.495 0 C-N-CA 120.932 -0.651 . . . . 0.0 111.688 179.753 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 110' ' ' ASN . . . . . . . . . . . . . 3.4 p-10 -108.12 152.99 23.79 Favored 'General case' 0 C--N 1.325 -0.499 0 CA-C-O 120.896 0.379 . . . . 0.0 110.245 -179.102 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 111' ' ' ASN . . . . . 0.549 HD21 HG22 ' A' ' 82' ' ' ILE . 15.3 p-10 -112.12 58.06 0.64 Allowed 'General case' 0 C--N 1.32 -0.69 0 CA-C-O 121.368 0.604 . . . . 0.0 110.245 179.162 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 112' ' ' ALA . . . . . 0.503 ' C ' ' HG3' ' A' ' 24' ' ' GLN . . . . . . . . 0 C--O 1.246 0.881 0 CA-C-N 115.334 -0.848 . . . . 0.0 110.609 -175.885 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 26.8 m . . . . . 0 N--CA 1.474 0.739 0 CA-C-O 120.692 0.282 . . . . 0.0 110.481 . . . . . . . . . 0 0 . 1 . 019 nuclear nobuild full ' A' A ' 7' ' ' MET . . . . . . . . . . . . . 49.5 ttm -117.09 -59.61 1.93 Allowed 'General case' 0 C--N 1.327 -0.404 0 CA-C-O 120.69 0.281 . . . . 0.0 110.342 178.206 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -73.94 -37.31 64.61 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.248 -0.433 . . . . 0.0 111.358 -177.151 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 9' ' ' GLN . . . . . . . . . . . . . 86.5 mm-40 -86.18 -1.79 57.76 Favored 'General case' 0 C--N 1.326 -0.438 0 CA-C-O 121.088 0.47 . . . . 0.0 110.953 -179.734 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -102.71 19.95 18.19 Favored 'General case' 0 C--N 1.323 -0.575 0 CA-C-N 115.907 -0.588 . . . . 0.0 110.232 179.508 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 11' ' ' ALA . . . . . 0.448 ' HB1' ' CB ' ' A' ' 58' ' ' SER . . . 67.85 101.97 0.05 Allowed 'General case' 0 C--O 1.232 0.173 0 O-C-N 124.069 0.856 . . . . 0.0 110.376 -177.041 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 12' ' ' GLN . . . . . 0.574 ' O ' ' HA ' ' A' ' 58' ' ' SER . 11.4 pt20 -64.01 122.68 17.11 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-N 115.613 -0.722 . . . . 0.0 111.627 -174.043 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 9.7 tt0 -84.8 114.18 21.89 Favored 'General case' 0 C--N 1.324 -0.509 0 CA-C-N 115.976 -0.557 . . . . 0.0 110.592 -179.777 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 14' ' ' LYS . . . . . 0.523 ' HB2' ' CE2' ' A' ' 16' ' ' PHE . 14.7 mmmm -123.28 161.43 24.62 Favored 'General case' 0 C--N 1.324 -0.521 0 N-CA-C 109.778 -0.452 . . . . 0.0 109.778 179.285 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 15' ' ' ASN . . . . . . . . . . . . . 3.9 t-20 -96.25 123.94 40.07 Favored 'General case' 0 C--N 1.321 -0.648 0 N-CA-C 109.897 -0.408 . . . . 0.0 109.897 178.343 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 16' ' ' PHE . . . . . 0.523 ' CE2' ' HB2' ' A' ' 14' ' ' LYS . 85.4 m-85 -128.45 143.81 51.04 Favored 'General case' 0 C--N 1.324 -0.501 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.638 -179.309 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 17' ' ' ASN . . . . . 0.46 ' HA ' ' O ' ' A' ' 53' ' ' LEU . 2.8 t-20 -144.12 92.18 2.29 Favored 'General case' 0 C--N 1.323 -0.546 0 CA-C-O 121.329 0.585 . . . . 0.0 109.804 176.034 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 18' ' ' ILE . . . . . . . . . . . . . 12.3 mm -112.04 129.68 67.08 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.713 0 CA-C-N 115.517 -0.765 . . . . 0.0 109.717 -176.843 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -76.11 159.9 30.28 Favored 'General case' 0 C--N 1.324 -0.528 0 N-CA-C 109.221 -0.659 . . . . 0.0 109.221 174.686 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -69.76 101.95 1.81 Allowed 'General case' 0 N--CA 1.453 -0.304 0 CA-C-O 121.483 0.659 . . . . 0.0 110.258 -178.092 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 21' ' ' GLN . . . . . . . . . . . . . 65.8 mt-30 -106.92 172.18 4.07 Favored Pre-proline 0 C--N 1.32 -0.683 0 CA-C-N 114.903 -1.044 . . . . 0.0 110.048 178.05 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 22' ' ' PRO . . . . . . . . . . . . . 50.5 Cg_exo -56.28 128.78 31.55 Favored 'Trans proline' 0 C--N 1.345 0.382 0 C-N-CA 121.599 1.532 . . . . 0.0 109.385 163.572 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 42.2 tp -49.82 -44.27 49.24 Favored 'General case' 0 N--CA 1.468 0.435 0 N-CA-C 113.251 0.834 . . . . 0.0 113.251 -166.911 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 27.5 mt-30 -65.55 -33.77 76.68 Favored 'General case' 0 C--N 1.325 -0.462 0 C-N-CA 121.076 -0.25 . . . . 0.0 111.669 -177.242 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 48.8 m -85.88 -25.68 26.05 Favored 'General case' 0 C--N 1.324 -0.539 0 CA-C-O 120.99 0.424 . . . . 0.0 110.338 177.776 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -59.12 -54.9 41.74 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 115.698 -0.683 . . . . 0.0 110.788 177.946 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 27' ' ' MET . . . . . 0.681 ' HB2' ' CG1' ' A' ' 38' ' ' VAL . 52.0 mtt -69.68 -24.74 63.64 Favored 'General case' 0 C--O 1.213 -0.861 0 CA-C-N 116.017 -0.538 . . . . 0.0 110.292 178.937 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 28' ' ' LEU . . . . . 0.673 ' O ' ' HG3' ' A' ' 32' ' ' GLU . 8.9 tt -60.96 -47.67 85.39 Favored 'General case' 0 C--N 1.321 -0.633 0 N-CA-C 108.656 -0.868 . . . . 0.0 108.656 175.803 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 29' ' ' ARG . . . . . 0.536 ' HD3' ' OE1' ' A' ' 32' ' ' GLU . 28.2 mmt180 -71.25 -43.6 66.94 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.213 -0.448 . . . . 0.0 111.395 179.792 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 6.0 t80 -63.28 -53.68 49.04 Favored 'General case' 0 C--N 1.325 -0.489 0 CA-C-O 121.276 0.56 . . . . 0.0 111.038 178.161 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 31' ' ' ALA . . . . . 0.485 ' HA ' ' HB3' ' A' ' 34' ' ' ALA . . . -72.41 -15.6 61.84 Favored 'General case' 0 C--N 1.321 -0.637 0 CA-C-N 115.712 -0.676 . . . . 0.0 111.057 -175.358 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 32' ' ' GLU . . . . . 0.673 ' HG3' ' O ' ' A' ' 28' ' ' LEU . 18.3 mt-10 -52.04 -37.45 53.61 Favored 'General case' 0 N--CA 1.468 0.452 0 C-N-CA 120.502 -0.479 . . . . 0.0 109.869 168.944 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 33' ' ' GLN . . . . . . . . . . . . . 16.3 mm100 -90.81 -13.48 33.76 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 115.876 -0.602 . . . . 0.0 111.432 -179.345 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 34' ' ' ALA . . . . . 0.485 ' HB3' ' HA ' ' A' ' 31' ' ' ALA . . . -100.46 -13.78 18.55 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-O 120.884 0.373 . . . . 0.0 111.768 -178.843 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 89.06 35.07 8.35 Favored Glycine 0 CA--C 1.519 0.316 0 C-N-CA 121.314 -0.47 . . . . 0.0 112.849 178.213 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 36' ' ' MET . . . . . . . . . . . . . 65.0 mtm -145.93 175.91 10.09 Favored 'General case' 0 N--CA 1.465 0.286 0 CA-C-N 116.805 0.303 . . . . 0.0 111.242 -176.841 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 37' ' ' GLN . . . . . . . . . . . . . 25.1 mt-30 -149.71 162.77 39.58 Favored 'General case' 0 C--N 1.332 -0.193 0 C-N-CA 123.517 0.727 . . . . 0.0 109.592 175.822 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 38' ' ' VAL . . . . . 0.681 ' CG1' ' HB2' ' A' ' 27' ' ' MET . 33.7 m -76.38 143.61 12.84 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-O 121.06 0.457 . . . . 0.0 111.354 -175.747 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 39' ' ' PHE . . . . . . . . . . . . . 45.9 t80 -144.97 119.74 9.87 Favored 'General case' 0 C--N 1.322 -0.602 0 CA-C-N 115.828 -0.623 . . . . 0.0 109.94 176.889 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 40' ' ' PHE . . . . . . . . . . . . . 92.4 m-85 -134.79 170.02 16.48 Favored 'General case' 0 C--N 1.317 -0.84 0 N-CA-C 109.07 -0.715 . . . . 0.0 109.07 176.234 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 7.7 p-10 -65.99 151.42 46.83 Favored 'General case' 0 C--N 1.322 -0.619 0 N-CA-C 109.482 -0.562 . . . . 0.0 109.482 177.296 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 53.5 mt-10 -69.99 92.15 0.71 Allowed 'General case' 0 C--N 1.324 -0.501 0 CA-C-O 121.125 0.488 . . . . 0.0 111.228 -174.922 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 43' ' ' VAL . . . . . . . . . . . . . 11.7 p -149.52 136.42 13.0 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.61 0 CA-C-N 115.588 -0.733 . . . . 0.0 109.41 176.026 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 37.0 ttpt -83.96 90.84 7.48 Favored 'General case' 0 C--N 1.323 -0.586 0 CA-C-O 120.795 0.331 . . . . 0.0 110.35 -179.465 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 45.7 tp -123.17 111.36 16.41 Favored 'General case' 0 C--N 1.321 -0.658 0 CA-C-O 120.913 0.387 . . . . 0.0 110.076 177.612 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 25.6 t70 -106.74 161.56 14.56 Favored 'General case' 0 C--N 1.322 -0.627 0 CA-C-N 116.017 -0.538 . . . . 0.0 110.151 -178.655 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 111.41 21.6 6.47 Favored Glycine 0 N--CA 1.449 -0.433 0 C-N-CA 120.732 -0.746 . . . . 0.0 111.819 -178.575 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 48' ' ' MET . . . . . . . . . . . . . 64.3 mtt -99.44 119.29 37.76 Favored 'General case' 0 C--N 1.322 -0.591 0 CA-C-O 120.844 0.354 . . . . 0.0 110.218 -179.304 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 49' ' ' GLN . . . . . 0.537 HE21 ' HA ' ' A' ' 49' ' ' GLN . 0.0 OUTLIER -124.35 136.77 54.34 Favored 'General case' 0 C--N 1.32 -0.678 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.384 -178.871 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -83.55 163.26 20.53 Favored 'General case' 0 C--N 1.324 -0.532 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.212 177.604 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -97.98 167.95 10.59 Favored 'General case' 0 C--N 1.322 -0.622 0 CA-C-N 116.425 -0.352 . . . . 0.0 110.587 178.808 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -61.16 108.81 0.96 Allowed 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.051 -0.522 . . . . 0.0 110.753 178.429 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 53' ' ' LEU . . . . . 0.46 ' O ' ' HA ' ' A' ' 17' ' ' ASN . 1.4 tm? -104.61 110.8 23.25 Favored 'General case' 0 C--N 1.321 -0.643 0 CA-C-N 115.606 -0.725 . . . . 0.0 110.061 -175.368 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 54' ' ' ASN . . . . . . . . . . . . . 10.8 p30 -155.83 106.9 2.5 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-O 121.258 0.551 . . . . 0.0 111.126 174.888 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . 177.82 174.21 43.95 Favored Glycine 0 N--CA 1.449 -0.467 0 C-N-CA 120.161 -1.019 . . . . 0.0 112.936 177.504 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 38.2 p -105.36 109.37 21.32 Favored 'General case' 0 C--N 1.323 -0.563 0 N-CA-C 109.16 -0.682 . . . . 0.0 109.16 172.453 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 57' ' ' MET . . . . . . . . . . . . . 14.8 ptt? -159.52 174.13 15.11 Favored 'General case' 0 C--N 1.32 -0.693 0 CA-C-N 116.445 -0.343 . . . . 0.0 110.732 -173.139 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 58' ' ' SER . . . . . 0.574 ' HA ' ' O ' ' A' ' 12' ' ' GLN . 5.1 m -86.07 169.48 13.11 Favored 'General case' 0 C--N 1.318 -0.769 0 CA-C-N 116.082 -0.508 . . . . 0.0 110.566 -178.189 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 59' ' ' VAL . . . . . 0.467 ' O ' HD23 ' A' ' 63' ' ' LEU . 38.5 t -58.64 -44.01 88.7 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.346 0 CA-C-O 120.948 0.404 . . . . 0.0 110.356 -179.288 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 60' ' ' GLU . . . . . 0.527 ' O ' ' HG3' ' A' ' 64' ' ' ARG . 42.6 mp0 -55.79 -53.83 51.89 Favored 'General case' 0 C--N 1.325 -0.487 0 CA-C-N 115.664 -0.698 . . . . 0.0 110.521 178.997 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 61' ' ' GLN . . . . . . . . . . . . . 95.4 mt-30 -66.17 -36.9 84.3 Favored 'General case' 0 C--N 1.323 -0.57 0 CA-C-N 115.588 -0.733 . . . . 0.0 110.843 -178.365 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . -62.21 -52.35 50.26 Favored Glycine 0 N--CA 1.445 -0.765 0 CA-C-N 115.693 -0.685 . . . . 0.0 112.342 179.962 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 63' ' ' LEU . . . . . 0.467 HD23 ' O ' ' A' ' 59' ' ' VAL . 4.3 mm? -58.09 -45.26 87.5 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-O 120.52 0.2 . . . . 0.0 111.501 -178.537 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 64' ' ' ARG . . . . . 0.527 ' HG3' ' O ' ' A' ' 60' ' ' GLU . 92.4 mtt180 -53.03 -53.77 45.24 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.408 -0.36 . . . . 0.0 110.688 -179.743 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 65' ' ' ARG . . . . . . . . . . . . . 63.2 ttt180 -71.33 -36.13 71.44 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 115.886 -0.597 . . . . 0.0 111.361 -178.571 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 6.9 tt -62.96 -46.27 88.5 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 115.952 -0.567 . . . . 0.0 111.169 -175.737 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 67' ' ' ILE . . . . . 0.528 ' HB ' ' ND2' ' A' ' 111' ' ' ASN . 19.8 mt -82.62 -65.96 0.79 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 C-N-CA 120.559 -0.456 . . . . 0.0 111.67 -173.37 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . -117.0 -49.44 0.42 Allowed Glycine 0 N--CA 1.45 -0.382 0 C-N-CA 120.768 -0.729 . . . . 0.0 113.474 -176.93 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . 104.79 -8.61 46.76 Favored Glycine 0 N--CA 1.449 -0.453 0 N-CA-C 110.368 -1.093 . . . . 0.0 110.368 -166.096 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 70' ' ' ASN . . . . . 0.483 ' OD1' ' HD2' ' A' ' 71' ' ' PRO . 55.9 t30 -100.5 136.36 19.97 Favored Pre-proline 0 C--N 1.328 -0.356 0 CA-C-N 114.866 -0.667 . . . . 0.0 109.764 -179.653 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 71' ' ' PRO . . . . . 0.483 ' HD2' ' OD1' ' A' ' 70' ' ' ASN . 52.1 Cg_exo -54.72 117.46 4.01 Favored 'Trans proline' 0 C--N 1.346 0.407 0 C-N-CA 122.514 2.143 . . . . 0.0 112.27 174.912 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 72' ' ' VAL . . . . . . . . . . . . . 2.9 p -150.17 162.16 3.98 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 N-CA-C 108.418 -0.956 . . . . 0.0 108.418 -176.061 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -103.27 123.3 46.5 Favored 'General case' 0 C--N 1.321 -0.632 0 CA-C-O 121.187 0.517 . . . . 0.0 111.072 -169.463 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 74' ' ' PHE . . . . . . . . . . . . . 23.8 p90 -133.69 119.34 19.22 Favored 'General case' 0 C--N 1.312 -1.028 0 CA-C-N 115.512 -0.767 . . . . 0.0 109.134 -179.49 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 75' ' ' ARG . . . . . . . . . . . . . 12.7 ptt180 -90.36 108.79 19.99 Favored 'General case' 0 C--N 1.322 -0.605 0 CA-C-O 121.365 0.602 . . . . 0.0 110.781 -177.074 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 76' ' ' LEU . . . . . . . . . . . . . 25.7 mt -80.27 98.42 7.39 Favored 'General case' 0 C--N 1.322 -0.588 0 CA-C-N 115.099 -0.955 . . . . 0.0 109.012 177.002 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 77' ' ' GLN . . . . . 0.448 ' HA ' ' HD3' ' A' ' 78' ' ' PRO . 46.3 mt-30 -84.69 129.45 56.98 Favored Pre-proline 0 C--N 1.318 -0.789 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.497 -175.992 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 78' ' ' PRO . . . . . 0.448 ' HD3' ' HA ' ' A' ' 77' ' ' GLN . 31.9 Cg_exo -59.58 -9.86 10.08 Favored 'Trans proline' 0 C--N 1.347 0.453 0 C-N-CA 123.235 2.623 . . . . 0.0 112.62 179.662 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 79' ' ' GLN . . . . . . . . . . . . . 14.4 mm100 -80.01 -7.28 58.74 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.47 177.459 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . 97.42 25.71 10.72 Favored Glycine 0 N--CA 1.447 -0.568 0 C-N-CA 120.828 -0.701 . . . . 0.0 112.95 176.715 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 81' ' ' GLN . . . . . . . . . . . . . 2.1 mp0 -125.55 130.93 52.69 Favored 'General case' 0 C--N 1.325 -0.468 0 CA-C-N 117.162 0.481 . . . . 0.0 111.118 -179.826 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 82' ' ' ILE . . . . . . . . . . . . . 62.5 mt -106.65 118.44 54.37 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.39 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.169 176.931 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 83' ' ' VAL . . . . . . . . . . . . . 25.2 t -120.4 133.89 65.65 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.417 -0.356 . . . . 0.0 110.352 179.347 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 84' ' ' LEU . . . . . 0.578 HD23 ' N ' ' A' ' 85' ' ' SER . 2.3 tt -107.92 139.11 43.02 Favored 'General case' 0 C--N 1.327 -0.405 0 N-CA-C 109.621 -0.511 . . . . 0.0 109.621 -177.439 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 85' ' ' SER . . . . . 0.578 ' N ' HD23 ' A' ' 84' ' ' LEU . 39.7 m -142.47 155.06 45.03 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.881 0.372 . . . . 0.0 110.007 176.913 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 86' ' ' ARG . . . . . . . . . . . . . 30.6 ttt180 -87.22 96.38 10.31 Favored 'General case' 0 C--N 1.323 -0.562 0 CA-C-O 120.972 0.415 . . . . 0.0 110.867 -177.234 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 87' ' ' LEU . . . . . . . . . . . . . 3.8 mm? -117.99 142.76 31.47 Favored Pre-proline 0 C--N 1.324 -0.516 0 CA-C-N 115.865 -0.607 . . . . 0.0 109.939 176.311 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 88' ' ' PRO . . . . . . . . . . . . . 98.0 Cg_endo -84.41 -161.12 0.13 Allowed 'Trans proline' 0 N--CA 1.461 -0.42 0 C-N-CA 123.136 2.558 . . . . 0.0 112.792 -179.458 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 89' ' ' THR . . . . . . . . . . . . . 26.3 m -56.03 128.13 33.85 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-O 120.988 0.423 . . . . 0.0 111.322 178.94 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 90' ' ' ALA . . . . . . . . . . . . . . . -83.99 159.63 21.19 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-N 116.078 -0.51 . . . . 0.0 110.816 178.756 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 91' ' ' ASN . . . . . . . . . . . . . 3.7 t-20 -62.96 -32.11 73.37 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-O 120.925 0.393 . . . . 0.0 110.928 -177.475 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 92' ' ' GLY . . . . . . . . . . . . . . . -60.98 -23.32 61.4 Favored Glycine 0 CA--C 1.52 0.351 0 CA-C-N 115.902 -0.59 . . . . 0.0 113.106 -179.617 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 33.6 t70 -82.45 -10.38 59.05 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 121.236 0.541 . . . . 0.0 110.594 -179.621 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 94' ' ' GLY . . . . . . . . . . . . . . . 95.31 21.18 25.48 Favored Glycine 0 N--CA 1.45 -0.428 0 C-N-CA 120.791 -0.719 . . . . 0.0 112.412 -179.276 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 95' ' ' GLY . . . . . . . . . . . . . . . -79.66 135.97 16.24 Favored Glycine 0 N--CA 1.448 -0.567 0 C-N-CA 120.875 -0.679 . . . . 0.0 112.131 178.274 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 96' ' ' ALA . . . . . . . . . . . . . . . -85.95 138.23 32.16 Favored 'General case' 0 C--N 1.325 -0.483 0 N-CA-C 110.057 -0.349 . . . . 0.0 110.057 179.489 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 97' ' ' LEU . . . . . . . . . . . . . 88.7 mt 61.25 22.31 12.68 Favored 'General case' 0 N--CA 1.466 0.334 0 O-C-N 123.559 0.537 . . . . 0.0 110.591 -176.219 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 98' ' ' ALA . . . . . . . . . . . . . . . -73.0 -30.16 63.57 Favored 'General case' 0 N--CA 1.45 -0.453 0 CA-C-N 115.541 -0.754 . . . . 0.0 110.672 -177.581 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 99' ' ' LEU . . . . . . . . . . . . . 96.0 mt -62.41 -41.61 98.81 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 116.387 -0.369 . . . . 0.0 110.451 178.76 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 100' ' ' ASP . . . . . . . . . . . . . 6.5 m-20 -65.84 -44.61 84.98 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.421 -0.354 . . . . 0.0 111.31 -179.774 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 10.7 p -74.45 -35.26 63.34 Favored 'General case' 0 C--N 1.326 -0.454 0 CA-C-O 120.729 0.299 . . . . 0.0 111.278 -177.373 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 102' ' ' LEU . . . . . . . . . . . . . 24.7 tp -69.08 -17.71 63.9 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.968 0.414 . . . . 0.0 110.739 179.826 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 103' ' ' THR . . . . . . . . . . . . . 94.6 m -75.69 -16.51 60.16 Favored 'General case' 0 CA--C 1.534 0.359 0 CA-C-O 121.435 0.636 . . . . 0.0 110.636 178.421 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 104' ' ' VAL . . . . . . . . . . . . . 43.0 t -89.2 95.19 5.24 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 CA-C-N 116.248 -0.433 . . . . 0.0 109.95 178.136 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 105' ' ' LEU . . . . . . . . . . . . . 3.9 mm? -69.22 97.86 0.97 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.171 179.386 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 106' ' ' GLY . . . . . . . . . . . . . . . -65.68 109.92 3.18 Favored Glycine 0 N--CA 1.446 -0.689 0 CA-C-N 115.925 -0.58 . . . . 0.0 112.3 -179.857 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 107' ' ' ALA . . . . . . . . . . . . . . . -71.56 145.74 48.88 Favored 'General case' 0 C--N 1.325 -0.488 0 CA-C-O 120.739 0.304 . . . . 0.0 110.305 179.842 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 108' ' ' GLY . . . . . . . . . . . . . . . 92.11 111.75 1.87 Allowed Glycine 0 N--CA 1.445 -0.715 0 C-N-CA 120.821 -0.705 . . . . 0.0 111.704 -177.51 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 109' ' ' GLY . . . . . . . . . . . . . . . -73.8 97.55 0.91 Allowed Glycine 0 N--CA 1.445 -0.719 0 C-N-CA 120.281 -0.962 . . . . 0.0 111.555 179.349 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 110' ' ' ASN . . . . . . . . . . . . . 91.6 m-20 -122.9 79.73 1.68 Allowed 'General case' 0 C--N 1.323 -0.558 0 N-CA-C 110.142 -0.318 . . . . 0.0 110.142 -178.993 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 111' ' ' ASN . . . . . 0.528 ' ND2' ' HB ' ' A' ' 67' ' ' ILE . 40.3 t-20 -63.81 -58.1 7.86 Favored 'General case' 0 C--N 1.324 -0.519 0 CA-C-N 116.058 -0.519 . . . . 0.0 109.722 179.07 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 112' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.251 1.18 0 CA-C-O 118.391 -0.814 . . . . 0.0 110.073 177.831 . . . . . . . . 0 0 . 1 . 020 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 22.1 p . . . . . 0 N--CA 1.479 1.015 0 CA-C-O 120.48 0.181 . . . . 0.0 111.379 . . . . . . . . . 0 0 . 1 . 020 nuclear nobuild full ' A' A ' 7' ' ' MET . . . . . . . . . . . . . 65.7 mtt 57.3 48.07 15.62 Favored 'General case' 0 N--CA 1.465 0.313 0 CA-C-O 120.849 0.357 . . . . 0.0 110.986 178.46 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -74.8 -53.92 8.26 Favored 'General case' 0 C--N 1.325 -0.484 0 CA-C-N 116.4 -0.364 . . . . 0.0 110.92 -177.313 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 9' ' ' GLN . . . . . . . . . . . . . 50.5 tt0 -73.24 -32.13 64.53 Favored 'General case' 0 C--N 1.326 -0.44 0 CA-C-O 121.332 0.587 . . . . 0.0 109.862 -179.235 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -68.91 -41.16 78.57 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-N 115.505 -0.771 . . . . 0.0 110.729 177.597 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . 54.19 75.42 0.28 Allowed 'General case' 0 C--O 1.234 0.285 0 O-C-N 123.548 0.53 . . . . 0.0 111.172 179.605 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 22.8 tp60 -83.07 110.51 18.07 Favored 'General case' 0 C--N 1.324 -0.524 0 CA-C-N 115.607 -0.724 . . . . 0.0 109.742 -178.751 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 13.4 pt20 -139.4 152.26 46.94 Favored 'General case' 0 C--N 1.322 -0.61 0 CA-C-N 115.871 -0.604 . . . . 0.0 110.362 -178.438 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 31.7 mmmt -109.49 146.39 34.66 Favored 'General case' 0 C--N 1.322 -0.593 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.039 178.404 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 15' ' ' ASN . . . . . . . . . . . . . 58.0 t30 -89.44 105.07 17.55 Favored 'General case' 0 C--N 1.322 -0.609 0 CA-C-N 116.031 -0.531 . . . . 0.0 110.082 -179.655 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 16' ' ' PHE . . . . . . . . . . . . . 87.0 m-85 -99.47 109.5 22.05 Favored 'General case' 0 C--N 1.321 -0.663 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.829 -179.235 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 17' ' ' ASN . . . . . 0.534 ' HA ' ' O ' ' A' ' 53' ' ' LEU . 2.8 t-20 -139.34 91.04 2.46 Favored 'General case' 0 C--N 1.319 -0.753 0 N-CA-C 108.962 -0.755 . . . . 0.0 108.962 172.796 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 18' ' ' ILE . . . . . . . . . . . . . 12.5 mt -124.98 114.19 39.26 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.744 0 CA-C-N 115.535 -0.757 . . . . 0.0 110.375 -173.027 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -61.9 148.53 43.21 Favored 'General case' 0 C--N 1.328 -0.354 0 N-CA-C 109.004 -0.739 . . . . 0.0 109.004 172.696 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -63.17 102.67 0.4 Allowed 'General case' 0 C--N 1.33 -0.255 0 CA-C-O 121.306 0.574 . . . . 0.0 111.411 -172.531 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 21' ' ' GLN . . . . . . . . . . . . . 76.0 mt-30 -107.37 167.93 8.71 Favored Pre-proline 0 C--N 1.32 -0.69 0 CA-C-N 115.218 -0.901 . . . . 0.0 109.942 173.663 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 22' ' ' PRO . . . . . . . . . . . . . 52.1 Cg_exo -57.15 141.6 94.37 Favored 'Trans proline' 0 N--CA 1.461 -0.395 0 C-N-CA 121.92 1.746 . . . . 0.0 109.978 166.373 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 23' ' ' LEU . . . . . 0.455 HD21 ' HA ' ' A' ' 67' ' ' ILE . 8.6 mt -58.33 -26.18 62.79 Favored 'General case' 0 C--N 1.326 -0.439 0 N-CA-C 113.605 0.965 . . . . 0.0 113.605 -168.923 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 22.2 mp0 -65.66 -54.33 29.05 Favored 'General case' 0 C--N 1.326 -0.452 0 CA-C-O 120.923 0.392 . . . . 0.0 110.017 175.462 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 25' ' ' SER . . . . . 0.669 ' O ' ' HG2' ' A' ' 29' ' ' ARG . 43.6 t -65.77 -35.8 81.74 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 115.946 -0.57 . . . . 0.0 110.62 179.117 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -53.57 -52.38 59.92 Favored 'General case' 0 C--O 1.232 0.179 0 CA-C-O 120.978 0.418 . . . . 0.0 111.642 -178.235 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 27' ' ' MET . . . . . 0.583 ' SD ' HG12 ' A' ' 38' ' ' VAL . 40.7 mtt -76.86 -31.66 56.97 Favored 'General case' 0 C--O 1.215 -0.734 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.241 -179.48 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 28' ' ' LEU . . . . . 0.415 ' C ' HD23 ' A' ' 28' ' ' LEU . 8.3 tt -56.71 -32.29 65.35 Favored 'General case' 0 C--N 1.322 -0.622 0 N-CA-C 109.667 -0.494 . . . . 0.0 109.667 175.455 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 29' ' ' ARG . . . . . 0.669 ' HG2' ' O ' ' A' ' 25' ' ' SER . 20.9 mmt180 -67.91 -60.24 2.66 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 116.432 -0.349 . . . . 0.0 110.886 176.405 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 20.6 t80 -74.27 -56.01 5.37 Favored 'General case' 0 C--N 1.325 -0.476 0 N-CA-C 112.115 0.413 . . . . 0.0 112.115 -176.674 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 31' ' ' ALA . . . . . 0.406 ' HB1' ' HB2' ' A' ' 36' ' ' MET . . . -59.24 -37.29 77.18 Favored 'General case' 0 C--N 1.322 -0.611 0 CA-C-N 115.815 -0.629 . . . . 0.0 112.458 -169.546 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 21.1 mt-10 -60.47 -33.81 73.12 Favored 'General case' 0 N--CA 1.466 0.355 0 C-N-CA 120.037 -0.665 . . . . 0.0 111.707 -178.528 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 33' ' ' GLN . . . . . . . . . . . . . 1.3 mp0 -81.49 -8.94 59.79 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 120.938 0.399 . . . . 0.0 110.918 177.666 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -108.15 8.0 27.83 Favored 'General case' 0 C--N 1.324 -0.528 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.878 179.052 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 76.47 30.15 57.02 Favored Glycine 0 N--CA 1.452 -0.237 0 C-N-CA 121.103 -0.57 . . . . 0.0 112.751 178.573 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 36' ' ' MET . . . . . 0.532 ' HA ' ' O ' ' A' ' 80' ' ' GLY . 74.4 mtm -134.26 174.16 10.82 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-O 120.799 0.333 . . . . 0.0 110.91 -179.162 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 37' ' ' GLN . . . . . . . . . . . . . 55.3 tt0 -160.26 163.07 33.74 Favored 'General case' 0 C--N 1.325 -0.49 0 N-CA-C 108.773 -0.825 . . . . 0.0 108.773 -179.572 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 38' ' ' VAL . . . . . 0.583 HG12 ' SD ' ' A' ' 27' ' ' MET . 34.4 m -75.14 147.54 8.28 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.436 0 CA-C-O 120.836 0.351 . . . . 0.0 111.091 -175.516 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 39' ' ' PHE . . . . . . . . . . . . . 65.1 t80 -142.24 121.54 13.1 Favored 'General case' 0 C--N 1.324 -0.52 0 CA-C-O 121.223 0.535 . . . . 0.0 110.929 175.336 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 40' ' ' PHE . . . . . . . . . . . . . 44.0 p90 -161.63 143.87 11.75 Favored 'General case' 0 C--N 1.321 -0.632 0 CA-C-N 115.307 -0.86 . . . . 0.0 109.165 175.212 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 26.0 t70 -123.36 -56.28 1.72 Allowed 'General case' 0 C--N 1.321 -0.66 0 CA-C-O 120.986 0.422 . . . . 0.0 109.985 179.563 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 43.9 mt-10 -128.38 89.15 2.86 Favored 'General case' 0 C--N 1.322 -0.603 0 CA-C-N 115.88 -0.6 . . . . 0.0 110.239 176.035 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 43' ' ' VAL . . . . . . . . . . . . . 27.0 m -130.7 -162.12 0.32 Allowed 'Isoleucine or valine' 0 C--N 1.321 -0.637 0 CA-C-N 115.598 -0.728 . . . . 0.0 109.67 -179.54 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 37.9 ttpt -50.56 142.2 11.19 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-O 120.868 0.366 . . . . 0.0 110.812 176.254 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 53.1 tp -48.29 131.83 16.46 Favored 'General case' 0 C--O 1.234 0.28 0 CA-C-N 115.403 -0.817 . . . . 0.0 111.369 179.907 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 17.0 t70 -56.29 149.63 16.06 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 115.647 -0.706 . . . . 0.0 110.809 179.058 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 120.24 13.64 5.78 Favored Glycine 0 N--CA 1.444 -0.811 0 N-CA-C 110.274 -1.13 . . . . 0.0 110.274 -169.162 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 48' ' ' MET . . . . . 0.454 ' HG3' ' HB2' ' A' ' 23' ' ' LEU . 16.9 ptt? -86.85 137.07 32.71 Favored 'General case' 0 N--CA 1.449 -0.496 0 CA-C-N 115.026 -0.587 . . . . 0.0 110.287 -177.902 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 26.7 pt20 -138.05 151.31 47.74 Favored 'General case' 0 C--N 1.32 -0.683 0 CA-C-N 116.112 -0.495 . . . . 0.0 110.507 -174.582 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -87.49 -176.5 5.62 Favored 'General case' 0 C--N 1.321 -0.649 0 CA-C-N 115.578 -0.737 . . . . 0.0 110.442 -178.757 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -111.44 168.36 9.6 Favored 'General case' 0 C--N 1.322 -0.616 0 N-CA-C 109.777 -0.453 . . . . 0.0 109.777 176.786 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -65.05 95.74 0.18 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 121.104 0.478 . . . . 0.0 110.099 176.954 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 53' ' ' LEU . . . . . 0.534 ' O ' ' HA ' ' A' ' 17' ' ' ASN . 57.2 tp -88.24 126.56 35.22 Favored 'General case' 0 C--N 1.32 -0.675 0 CA-C-N 115.573 -0.739 . . . . 0.0 111.194 -174.113 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 54' ' ' ASN . . . . . 0.428 HD22 ' ND2' ' A' ' 17' ' ' ASN . 22.5 t-20 -145.76 101.21 3.52 Favored 'General case' 0 C--N 1.323 -0.565 0 CA-C-N 116.217 -0.447 . . . . 0.0 109.825 176.44 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . -172.03 152.3 16.88 Favored Glycine 0 N--CA 1.447 -0.591 0 C-N-CA 120.405 -0.902 . . . . 0.0 112.757 -179.039 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 15.4 m -106.49 109.8 21.83 Favored 'General case' 0 C--N 1.322 -0.619 0 N-CA-C 109.369 -0.604 . . . . 0.0 109.369 177.362 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 57' ' ' MET . . . . . . . . . . . . . 11.1 ptt? -163.13 -178.58 6.1 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-N 116.63 -0.259 . . . . 0.0 111.271 -170.358 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 42.7 m -86.27 172.31 10.57 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-N 116.368 -0.378 . . . . 0.0 111.125 -179.452 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 59' ' ' VAL . . . . . . . . . . . . . 23.9 t -58.0 -47.17 87.36 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.282 0 CA-C-O 120.543 0.211 . . . . 0.0 110.908 -179.446 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 60' ' ' GLU . . . . . 0.565 ' O ' ' HG3' ' A' ' 64' ' ' ARG . 24.8 mt-10 -51.83 -55.74 18.16 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 115.966 -0.561 . . . . 0.0 111.179 178.843 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 61' ' ' GLN . . . . . . . . . . . . . 39.9 mt-30 -64.59 -43.2 94.58 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-N 115.879 -0.6 . . . . 0.0 110.923 -179.104 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 62' ' ' GLY . . . . . 0.435 ' O ' ' HB2' ' A' ' 66' ' ' LEU . . . -57.33 -53.57 43.79 Favored Glycine 0 N--CA 1.446 -0.646 0 CA-C-N 115.649 -0.705 . . . . 0.0 113.119 -176.408 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 63' ' ' LEU . . . . . 0.604 HD12 HD11 ' A' ' 67' ' ' ILE . 4.6 mm? -62.25 -27.26 68.88 Favored 'General case' 0 C--N 1.325 -0.467 0 N-CA-C 111.879 0.325 . . . . 0.0 111.879 -176.627 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 64' ' ' ARG . . . . . 0.565 ' HG3' ' O ' ' A' ' 60' ' ' GLU . 20.7 mtp180 -61.15 -60.03 4.4 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-O 120.686 0.279 . . . . 0.0 110.979 -178.942 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 65' ' ' ARG . . . . . . . . . . . . . 11.4 ttp180 -74.6 -23.51 58.74 Favored 'General case' 0 C--N 1.324 -0.524 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.777 -179.485 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 66' ' ' LEU . . . . . 0.435 ' HB2' ' O ' ' A' ' 62' ' ' GLY . 6.2 tt -66.76 -54.67 20.38 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 115.978 -0.555 . . . . 0.0 110.725 179.526 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 67' ' ' ILE . . . . . 0.604 HD11 HD12 ' A' ' 63' ' ' LEU . 67.2 mt -81.36 -65.28 0.84 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 N-CA-C 112.845 0.683 . . . . 0.0 112.845 -168.981 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . -114.98 -62.01 0.38 Allowed Glycine 0 N--CA 1.443 -0.856 0 C-N-CA 119.408 -1.377 . . . . 0.0 114.411 -171.131 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . 86.94 -22.3 15.16 Favored Glycine 0 N--CA 1.447 -0.574 0 N-CA-C 110.038 -1.225 . . . . 0.0 110.038 -165.286 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 70' ' ' ASN . . . . . . . . . . . . . 8.9 p30 -102.63 164.35 15.81 Favored Pre-proline 0 C--N 1.328 -0.351 0 N-CA-C 109.082 -0.711 . . . . 0.0 109.082 173.1 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 71' ' ' PRO . . . . . . . . . . . . . 50.4 Cg_exo -55.92 99.6 0.07 OUTLIER 'Trans proline' 0 C--N 1.348 0.53 0 C-N-CA 122.723 2.282 . . . . 0.0 113.487 -179.65 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 72' ' ' VAL . . . . . . . . . . . . . 21.4 t -135.91 159.59 39.28 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 N-CA-C 107.343 -1.355 . . . . 0.0 107.343 174.214 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -115.56 121.13 41.69 Favored 'General case' 0 C--N 1.319 -0.741 0 CA-C-N 118.221 0.464 . . . . 0.0 111.576 -179.479 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 74' ' ' PHE . . . . . . . . . . . . . 10.7 p90 -109.45 126.88 53.95 Favored 'General case' 0 C--N 1.328 -0.359 0 N-CA-C 109.422 -0.585 . . . . 0.0 109.422 172.984 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 75' ' ' ARG . . . . . . . . . . . . . 14.5 mmm180 -117.52 116.83 27.89 Favored 'General case' 0 C--N 1.318 -0.786 0 CA-C-N 116.068 -0.515 . . . . 0.0 110.14 -179.418 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 76' ' ' LEU . . . . . . . . . . . . . 35.1 mt -88.86 98.42 11.72 Favored 'General case' 0 C--N 1.319 -0.759 0 CA-C-N 115.613 -0.721 . . . . 0.0 109.235 -179.708 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 77' ' ' GLN . . . . . 0.461 ' HG2' ' H ' ' A' ' 81' ' ' GLN . 2.3 pt20 -80.61 139.54 51.07 Favored Pre-proline 0 C--N 1.32 -0.691 0 C-N-CA 120.88 -0.328 . . . . 0.0 110.195 -175.422 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 78' ' ' PRO . . . . . . . . . . . . . 52.4 Cg_exo -54.58 -20.6 21.69 Favored 'Trans proline' 0 C--N 1.348 0.522 0 C-N-CA 123.501 2.801 . . . . 0.0 113.547 -179.097 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 79' ' ' GLN . . . . . . . . . . . . . 27.6 mm-40 -80.23 0.92 30.5 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 120.881 0.372 . . . . 0.0 111.332 177.935 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 80' ' ' GLY . . . . . 0.532 ' O ' ' HA ' ' A' ' 36' ' ' MET . . . 87.95 44.2 5.47 Favored Glycine 0 N--CA 1.446 -0.677 0 C-N-CA 121.015 -0.612 . . . . 0.0 113.726 172.407 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 81' ' ' GLN . . . . . 0.461 ' H ' ' HG2' ' A' ' 77' ' ' GLN . 79.9 mt-30 -138.08 145.31 41.56 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-N 117.47 0.635 . . . . 0.0 110.573 176.215 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 82' ' ' ILE . . . . . . . . . . . . . 48.0 mt -99.15 104.89 16.6 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.568 0 CA-C-N 115.916 -0.584 . . . . 0.0 109.443 177.453 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 83' ' ' VAL . . . . . . . . . . . . . 21.6 t -93.35 131.42 40.39 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.513 0 CA-C-N 115.978 -0.556 . . . . 0.0 110.213 -177.891 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 84' ' ' LEU . . . . . . . . . . . . . 8.8 mp -111.91 146.44 37.77 Favored 'General case' 0 C--N 1.325 -0.493 0 CA-C-O 121.178 0.513 . . . . 0.0 111.573 -179.153 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 85' ' ' SER . . . . . . . . . . . . . 23.1 m -149.53 146.91 27.62 Favored 'General case' 0 C--N 1.323 -0.566 0 CA-C-N 115.372 -0.831 . . . . 0.0 109.439 175.813 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 86' ' ' ARG . . . . . . . . . . . . . 4.0 tmt_? -85.78 93.16 8.81 Favored 'General case' 0 C--N 1.324 -0.518 0 N-CA-C 109.222 -0.659 . . . . 0.0 109.222 -179.486 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 87' ' ' LEU . . . . . . . . . . . . . 62.4 mt -130.78 138.51 33.18 Favored Pre-proline 0 C--N 1.321 -0.638 0 CA-C-N 115.76 -0.655 . . . . 0.0 109.665 -177.304 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 88' ' ' PRO . . . . . . . . . . . . . 37.4 Cg_endo -67.75 166.67 23.51 Favored 'Trans proline' 0 CA--C 1.531 0.354 0 C-N-CA 122.729 2.286 . . . . 0.0 112.734 -179.217 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 89' ' ' THR . . . . . . . . . . . . . 21.1 m -62.9 123.29 18.11 Favored 'General case' 0 C--O 1.236 0.363 0 CA-C-N 115.789 -0.641 . . . . 0.0 111.297 -178.603 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 90' ' ' ALA . . . . . . . . . . . . . . . -79.63 173.24 12.79 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.063 -0.517 . . . . 0.0 111.201 -179.519 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 91' ' ' ASN . . . . . . . . . . . . . 28.5 t-20 -58.21 -30.09 66.2 Favored 'General case' 0 C--N 1.326 -0.418 0 N-CA-C 112.39 0.515 . . . . 0.0 112.39 -174.154 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 92' ' ' GLY . . . . . 0.401 ' HA3' ' N ' ' A' ' 107' ' ' ALA . . . -53.28 -37.33 54.86 Favored Glycine 0 CA--C 1.521 0.459 0 N-CA-C 114.049 0.38 . . . . 0.0 114.049 -177.272 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 93' ' ' ASP . . . . . 0.418 ' CG ' HH22 ' A' ' 64' ' ' ARG . 9.3 m-20 -102.01 18.8 19.79 Favored 'General case' 0 C--N 1.326 -0.413 0 CA-C-N 116.901 0.351 . . . . 0.0 111.154 179.595 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 94' ' ' GLY . . . . . . . . . . . . . . . 89.28 25.76 27.68 Favored Glycine 0 N--CA 1.446 -0.678 0 C-N-CA 120.508 -0.853 . . . . 0.0 112.122 -179.133 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 95' ' ' GLY . . . . . . . . . . . . . . . -96.78 -150.48 26.89 Favored Glycine 0 N--CA 1.448 -0.555 0 C-N-CA 120.786 -0.721 . . . . 0.0 111.948 177.57 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 96' ' ' ALA . . . . . . . . . . . . . . . -91.24 129.32 37.25 Favored 'General case' 0 C--N 1.322 -0.607 0 CA-C-O 120.907 0.384 . . . . 0.0 111.608 -175.834 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 97' ' ' LEU . . . . . . . . . . . . . 4.3 pp -87.35 -18.17 30.7 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 116.083 -0.508 . . . . 0.0 109.891 175.459 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 98' ' ' ALA . . . . . 0.401 ' C ' HD12 ' A' ' 99' ' ' LEU . . . -75.18 0.87 14.89 Favored 'General case' 0 C--N 1.326 -0.455 0 CA-C-O 121.393 0.616 . . . . 0.0 110.257 176.662 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 99' ' ' LEU . . . . . 0.705 ' O ' ' HG ' ' A' ' 102' ' ' LEU . 7.2 mp -129.35 29.95 5.04 Favored 'General case' 0 N--CA 1.45 -0.431 0 CA-C-N 115.345 -0.843 . . . . 0.0 110.096 175.313 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 100' ' ' ASP . . . . . . . . . . . . . 3.1 p-10 -61.91 -11.07 11.24 Favored 'General case' 0 N--CA 1.471 0.594 0 CA-C-O 120.796 0.331 . . . . 0.0 111.575 179.447 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 10.4 m -68.49 -9.32 48.16 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.661 179.961 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 102' ' ' LEU . . . . . 0.705 ' HG ' ' O ' ' A' ' 99' ' ' LEU . 64.9 mt -60.32 -62.51 1.81 Allowed 'General case' 0 C--N 1.333 -0.111 0 CA-C-O 121.158 0.504 . . . . 0.0 110.26 178.158 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 103' ' ' THR . . . . . . . . . . . . . 27.6 m -131.44 -62.24 0.88 Allowed 'General case' 0 C--N 1.321 -0.665 0 CA-C-N 115.929 -0.578 . . . . 0.0 109.763 174.335 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 104' ' ' VAL . . . . . . . . . . . . . 2.5 m -155.41 179.63 0.27 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 CA-C-N 115.024 -0.989 . . . . 0.0 109.501 -179.736 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 105' ' ' LEU . . . . . . . . . . . . . 55.9 tp -65.78 -47.46 75.08 Favored 'General case' 0 C--N 1.324 -0.522 0 CA-C-O 121.203 0.525 . . . . 0.0 109.997 176.571 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 106' ' ' GLY . . . . . . . . . . . . . . . -80.72 -160.75 24.16 Favored Glycine 0 N--CA 1.447 -0.616 0 CA-C-N 115.546 -0.752 . . . . 0.0 112.189 178.557 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 107' ' ' ALA . . . . . 0.401 ' N ' ' HA3' ' A' ' 92' ' ' GLY . . . -86.63 108.47 18.63 Favored 'General case' 0 C--N 1.32 -0.709 0 CA-C-O 120.967 0.413 . . . . 0.0 110.652 -179.624 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 108' ' ' GLY . . . . . . . . . . . . . . . -111.08 -65.08 0.52 Allowed Glycine 0 N--CA 1.448 -0.556 0 N-CA-C 111.267 -0.733 . . . . 0.0 111.267 177.691 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 109' ' ' GLY . . . . . . . . . . . . . . . -117.93 98.94 0.78 Allowed Glycine 0 N--CA 1.442 -0.918 0 N-CA-C 111.134 -0.786 . . . . 0.0 111.134 174.248 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 110' ' ' ASN . . . . . 0.441 ' O ' ' HG2' ' A' ' 64' ' ' ARG . 44.5 t30 -151.75 109.38 3.63 Favored 'General case' 0 C--N 1.324 -0.527 0 N-CA-C 110.053 -0.351 . . . . 0.0 110.053 179.931 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 111' ' ' ASN . . . . . 0.566 HD21 HD12 ' A' ' 67' ' ' ILE . 18.6 m120 -91.38 45.51 1.24 Allowed 'General case' 0 C--N 1.321 -0.661 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.392 -178.462 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 112' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.248 1.023 0 CA-C-O 119.108 -0.472 . . . . 0.0 109.989 177.821 . . . . . . . . 0 0 . 1 stop_ save_