data_5jhj_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 5jhj _Structure_validation_residue.Date_analyzed 2017-03-24 loop_ _Residue_analysis_software.Software_ID _Residue_analysis_software.Software_label _Residue_analysis_software.Method_ID _Residue_analysis_software.Method_label _Residue_analysis_software.Entry_ID _Residue_analysis_software.Structure_validation_oneline_list_ID 1 MolProbity . . ? 1 2 CYRANGE . . ? 1 stop_ loop_ _Residue_analysis.ID _Residue_analysis.PDB_model_num _Residue_analysis.Hydrogen_positions _Residue_analysis.MolProbity_flips _Residue_analysis.Cyrange_core_flag _Residue_analysis.Two_letter_chain_ID _Residue_analysis.PDB_strand_ID _Residue_analysis.PDB_residue_no _Residue_analysis.PDB_ins_code _Residue_analysis.PDB_residue_name _Residue_analysis.Assembly_ID _Residue_analysis.Entity_assembly_ID _Residue_analysis.Entity_ID _Residue_analysis.Comp_ID _Residue_analysis.Comp_index_ID _Residue_analysis.Clash_value _Residue_analysis.Clash_source_PDB_atom_name _Residue_analysis.Clash_destination_PDB_atom_name _Residue_analysis.Clash_destination_PDB_strand_ID _Residue_analysis.Clash_destination_PDB_residue_no _Residue_analysis.Clash_destination_PDB_ins_code _Residue_analysis.Clash_destination_PDB_residue_name _Residue_analysis.Cbeta_deviation_value _Residue_analysis.Rotamer_score _Residue_analysis.Rotamer_name _Residue_analysis.Ramachandran_phi _Residue_analysis.Ramachandran_psi _Residue_analysis.Ramachandran_score _Residue_analysis.Ramachandran_evaluation _Residue_analysis.Ramachandran_type _Residue_analysis.Bond_outlier_count _Residue_analysis.Worst_bond _Residue_analysis.Worst_bond_value _Residue_analysis.Worst_bond_sigma _Residue_analysis.Angle_outlier_count _Residue_analysis.Worst_angle _Residue_analysis.Worst_angle_value _Residue_analysis.Worst_angle_sigma _Residue_analysis.RNA_phosphate_perpendicular_outlier _Residue_analysis.RNA_suitness_score _Residue_analysis.RNA_suite_conformer _Residue_analysis.RNA_suite_triage _Residue_analysis.Max_b_factor _Residue_analysis.Tau_angle _Residue_analysis.Omega_dihedral _Residue_analysis.Disulfide_chi1 _Residue_analysis.Disulfide_chi2 _Residue_analysis.Disulfide_chi3 _Residue_analysis.Disulfide_ss_angle _Residue_analysis.Disulfide_ss _Residue_analysis.Disulfide_ss_angle_prime _Residue_analysis.Disulfide_chi2prime _Residue_analysis.Disulfide_chi1prime _Residue_analysis.Outlier_count_separate_geometry _Residue_analysis.Outlier_count _Residue_analysis.Entry_ID _Residue_analysis.Structure_validation_residue_list_ID . 001 nuclear orig full ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 31.1 m . . . . . 0 N--CA 1.453 -0.296 0 CA-C-O 120.577 0.227 . . . . 0.0 111.204 . . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . -105.82 88.14 0.55 Allowed Glycine 0 N--CA 1.431 -1.668 0 C-N-CA 119.051 -1.547 . . . . 0.0 113.83 -176.827 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 92.0 mtt180 -150.47 97.23 2.49 Favored 'General case' 0 C--N 1.308 -1.215 0 N-CA-C 106.386 -1.709 . . . . 0.0 106.386 172.51 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 31.1 mt-10 -75.85 96.57 3.72 Favored 'General case' 0 C--N 1.303 -1.439 0 CA-C-O 121.875 0.845 . . . . 0.0 109.272 177.821 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 11' ' ' ASN . . . . . . . . . . . . . 3.9 t-20 -134.39 151.03 50.96 Favored 'General case' 0 C--N 1.307 -1.268 0 N-CA-C 104.723 -2.325 . . . . 0.0 104.723 -177.752 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 4.5 pp -80.67 158.15 25.7 Favored 'General case' 0 C--N 1.312 -1.053 0 CA-C-O 122.056 0.931 . . . . 0.0 111.284 -178.662 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 13' ' ' TYR . . . . . . . . . . . . . 82.1 m-85 -105.09 141.52 36.5 Favored 'General case' 0 C--N 1.294 -1.807 0 CA-C-N 114.227 -1.351 . . . . 0.0 107.436 175.456 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 14' ' ' PHE . . . . . . . . . . . . . 51.1 p90 -62.74 146.25 52.84 Favored 'General case' 0 C--N 1.309 -1.185 0 O-C-N 123.987 0.804 . . . . 0.0 111.992 -176.699 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 24.7 pt20 -69.33 116.57 9.91 Favored 'General case' 0 N--CA 1.433 -1.322 0 N-CA-C 105.415 -2.069 . . . . 0.0 105.415 170.93 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . -121.0 175.45 16.08 Favored Glycine 0 N--CA 1.429 -1.82 0 N-CA-C 110.484 -1.046 . . . . 0.0 110.484 -175.59 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 17' ' ' HIS . . . . . . . . . . . . . 70.9 m-70 -68.85 115.47 8.22 Favored 'General case' 0 C--N 1.312 -1.038 0 CA-C-O 121.624 0.726 . . . . 0.0 109.393 179.979 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 18' ' ' MET . . . . . . . . . . . . . 26.8 ptt? -123.55 -179.76 4.47 Favored 'General case' 0 C--N 1.299 -1.621 0 N-CA-C 107.039 -1.467 . . . . 0.0 107.039 -178.961 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -77.94 116.18 18.24 Favored 'General case' 0 N--CA 1.437 -1.098 0 N-CA-C 107.214 -1.402 . . . . 0.0 107.214 178.166 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -96.64 136.94 21.5 Favored Pre-proline 0 C--N 1.307 -1.261 0 N-CA-C 109.481 -0.563 . . . . 0.0 109.481 -177.545 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 21' ' ' PRO . . . . . . . . . . . . . 25.7 Cg_endo -63.92 89.8 0.16 Allowed 'Trans proline' 0 C--N 1.349 0.556 0 C-N-CA 122.665 2.244 . . . . 0.0 111.875 179.286 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -102.58 14.27 32.37 Favored 'General case' 0 C--N 1.312 -1.059 0 CA-C-N 114.821 -1.081 . . . . 0.0 112.595 -175.522 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 23' ' ' ARG . . . . . 0.502 ' C ' HG12 ' A' ' 44' ' ' ILE . 94.6 mtt180 59.95 35.94 21.66 Favored 'General case' 0 C--N 1.3 -1.568 0 N-CA-C 115.559 1.689 . . . . 0.0 115.559 178.024 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 24' ' ' SER . . . . . 0.664 ' O ' ' HA ' ' A' ' 84' ' ' PRO . 39.5 m -152.13 141.85 21.89 Favored 'General case' 0 C--N 1.304 -1.392 0 N-CA-C 106.308 -1.738 . . . . 0.0 106.308 172.003 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 25' ' ' CYS . . . . . . . . . . . . . 93.6 m -107.49 130.54 54.83 Favored 'General case' 0 CA--C 1.491 -1.31 0 N-CA-C 106.074 -1.824 . . . . 0.0 106.074 177.399 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 26' ' ' VAL . . . . . 0.477 ' O ' ' HA ' ' A' ' 82' ' ' ALA . 2.9 t -113.13 117.91 56.63 Favored 'Isoleucine or valine' 0 C--N 1.288 -2.076 0 N-CA-C 106.501 -1.666 . . . . 0.0 106.501 -174.93 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 27' ' ' TYR . . . . . . . . . . . . . 70.5 m-85 -90.24 130.36 36.38 Favored 'General case' 0 C--N 1.295 -1.793 0 CA-C-N 114.567 -1.197 . . . . 0.0 109.882 -174.202 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 28' ' ' TYR . . . . . 0.534 ' HA ' ' O ' ' A' ' 37' ' ' VAL . 95.4 m-85 -132.73 145.84 51.36 Favored 'General case' 0 N--CA 1.413 -2.303 0 CA-C-N 114.197 -1.365 . . . . 0.0 110.235 -178.008 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 29' ' ' ASP . . . . . 0.48 ' HB3' ' HB ' ' A' ' 37' ' ' VAL . 3.2 t70 -89.64 102.39 15.08 Favored 'General case' 0 C--N 1.3 -1.556 0 N-CA-C 105.718 -1.956 . . . . 0.0 105.718 168.828 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . -164.21 127.58 1.68 Allowed Glycine 0 N--CA 1.414 -2.779 0 C-N-CA 119.901 -1.143 . . . . 0.0 111.875 -177.865 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 31' ' ' HIS . . . . . . . . . . . . . 28.2 t-80 -73.78 -33.48 64.25 Favored 'General case' 0 C--N 1.285 -2.206 0 CA-C-N 112.452 -1.874 . . . . 0.0 107.281 177.281 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 32.4 mt -125.54 162.63 43.52 Favored Pre-proline 0 N--CA 1.437 -1.112 0 N-CA-C 104.753 -2.314 . . . . 0.0 104.753 179.764 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 33' ' ' PRO . . . . . . . . . . . . . 70.0 Cg_endo -73.53 4.07 4.28 Favored 'Trans proline' 0 CA--C 1.535 0.549 0 C-N-CA 122.243 1.962 . . . . 0.0 110.631 174.562 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -97.14 -44.29 7.02 Favored 'General case' 0 C--N 1.32 -0.715 0 CA-C-N 115.768 -0.651 . . . . 0.0 111.368 177.829 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 5.9 p -90.42 15.69 10.2 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-O 121.695 0.759 . . . . 0.0 112.578 -174.521 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 36' ' ' ARG . . . . . 0.41 ' HB2' ' HB3' ' A' ' 28' ' ' TYR . 33.5 ptt180 -67.4 128.66 37.25 Favored 'General case' 0 C--N 1.312 -1.028 0 CA-C-N 114.549 -1.205 . . . . 0.0 112.903 -176.146 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 37' ' ' VAL . . . . . 0.534 ' O ' ' HA ' ' A' ' 28' ' ' TYR . 96.7 t -106.52 128.79 60.83 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.755 0 N-CA-C 107.971 -1.122 . . . . 0.0 107.971 177.736 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 3.4 tm? -67.57 110.75 3.81 Favored 'General case' 0 C--N 1.315 -0.926 0 C-N-CA 123.418 0.687 . . . . 0.0 110.709 -176.715 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 84.0 mt -91.63 -60.65 1.82 Allowed 'General case' 0 C--N 1.319 -0.761 0 CA-C-N 115.727 -0.67 . . . . 0.0 110.19 176.594 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 40' ' ' MET . . . . . . . . . . . . . 21.8 ptp -172.01 164.09 6.17 Favored 'General case' 0 N--CA 1.476 0.857 0 N-CA-C 112.601 0.593 . . . . 0.0 112.601 179.901 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 41' ' ' TYR . . . . . . . . . . . . . 52.0 m-85 -106.37 124.47 49.64 Favored 'General case' 0 C--N 1.317 -0.814 0 CA-C-N 114.22 -1.355 . . . . 0.0 108.184 177.431 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 42.9 t -117.53 136.78 53.6 Favored 'Isoleucine or valine' 0 C--N 1.308 -1.196 0 N-CA-C 108.016 -1.105 . . . . 0.0 108.016 178.052 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 15.7 ttt180 -70.71 140.2 51.36 Favored 'General case' 0 C--N 1.303 -1.446 0 N-CA-C 108.394 -0.965 . . . . 0.0 108.394 177.819 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 44' ' ' ILE . . . . . 0.502 HG12 ' C ' ' A' ' 23' ' ' ARG . 41.4 mm -61.69 126.26 19.45 Favored 'Isoleucine or valine' 0 C--N 1.316 -0.862 0 N-CA-C 107.578 -1.267 . . . . 0.0 107.578 174.541 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . 96.38 24.59 13.88 Favored Glycine 0 C--N 1.29 -1.992 0 CA-C-N 114.557 -1.201 . . . . 0.0 110.573 178.618 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 46' ' ' ASN . . . . . . . . . . . . . 49.3 t30 -139.87 157.65 45.37 Favored 'General case' 0 C--N 1.311 -1.096 0 CA-C-O 121.112 0.482 . . . . 0.0 110.577 178.0 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 20.5 p -101.44 153.23 19.87 Favored 'General case' 0 C--N 1.298 -1.664 0 CA-C-N 114.861 -1.063 . . . . 0.0 110.551 179.526 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -154.65 128.51 8.76 Favored 'General case' 0 C--N 1.304 -1.386 0 N-CA-C 113.721 1.008 . . . . 0.0 113.721 177.494 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 7.6 m -72.72 109.15 6.13 Favored 'General case' 0 C--N 1.313 -0.99 0 CA-C-N 114.901 -1.045 . . . . 0.0 108.275 171.373 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 50' ' ' ILE . . . . . 0.465 ' O ' ' HA ' ' A' ' 56' ' ' GLU . 27.3 mm -96.44 114.31 32.95 Favored 'Isoleucine or valine' 0 C--N 1.307 -1.25 0 N-CA-C 107.51 -1.293 . . . . 0.0 107.51 179.765 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 12.1 m -99.56 124.33 44.64 Favored 'General case' 0 C--N 1.292 -1.897 0 C-N-CA 117.761 -1.576 . . . . 0.0 107.546 175.206 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -143.7 121.77 12.13 Favored 'General case' 0 C--N 1.304 -1.398 0 N-CA-C 107.612 -1.255 . . . . 0.0 107.612 178.057 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 53' ' ' ARG . . . . . . . . . . . . . 80.0 mtt85 66.29 20.51 11.04 Favored 'General case' 0 C--N 1.321 -0.644 0 C-N-CA 124.258 1.023 . . . . 0.0 112.496 179.989 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . 83.85 19.04 62.17 Favored Glycine 0 N--CA 1.443 -0.873 0 CA-C-N 114.685 -1.143 . . . . 0.0 111.29 -179.066 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 55' ' ' HIS . . . . . . . . . . . . . 76.1 m-70 -118.51 127.25 53.46 Favored 'General case' 0 C--N 1.316 -0.882 0 N-CA-C 107.151 -1.425 . . . . 0.0 107.151 176.244 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 56' ' ' GLU . . . . . 0.465 ' HA ' ' O ' ' A' ' 50' ' ' ILE . 1.7 mp0 -98.78 128.91 45.15 Favored 'General case' 0 N--CA 1.432 -1.367 0 N-CA-C 109.474 -0.565 . . . . 0.0 109.474 178.968 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 57' ' ' PHE . . . . . . . . . . . . . 68.9 m-85 -115.54 112.06 21.64 Favored 'General case' 0 N--CA 1.421 -1.885 0 N-CA-C 105.773 -1.936 . . . . 0.0 105.773 177.951 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 5.3 tp10 -80.91 109.92 15.95 Favored 'General case' 0 C--N 1.307 -1.28 0 N-CA-C 105.977 -1.86 . . . . 0.0 105.977 178.857 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 59' ' ' VAL . . . . . 0.516 HG13 ' CD1' ' A' ' 70' ' ' LEU . 10.1 m -106.08 167.61 3.15 Favored 'Isoleucine or valine' 0 C--N 1.302 -1.476 0 CA-C-O 121.25 0.548 . . . . 0.0 110.075 -176.804 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 43.5 tt0 -135.31 122.75 21.91 Favored 'General case' 0 C--N 1.297 -1.68 0 N-CA-C 105.487 -2.042 . . . . 0.0 105.487 167.882 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -76.76 89.73 3.42 Favored 'General case' 0 C--N 1.308 -1.236 0 N-CA-C 106.912 -1.514 . . . . 0.0 106.912 176.64 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 75.5 mmtt -65.02 -58.5 5.92 Favored 'General case' 0 C--N 1.322 -0.619 0 CA-C-N 114.197 -1.365 . . . . 0.0 112.493 -174.07 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 27.1 t70 -141.78 159.72 41.65 Favored 'General case' 0 C--N 1.303 -1.441 0 CA-C-N 115.375 -0.83 . . . . 0.0 109.872 -172.932 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 64' ' ' GLN . . . . . . . . . . . . 0.27 0.6 OUTLIER -71.01 2.89 3.84 Favored 'General case' 0 C--N 1.326 -0.446 0 N-CA-C 115.581 1.697 . . . . 0.0 115.581 -177.344 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 65' ' ' ASN . . . . . . . . . . . . . 44.2 t-20 -73.31 -33.76 65.33 Favored 'General case' 0 C--N 1.324 -0.524 0 N-CA-C 105.541 -2.022 . . . . 0.0 105.541 168.545 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 66' ' ' CYS . . . . . . . . . . . . 0.299 91.9 m 70.01 55.16 0.33 Allowed 'General case' 0 N--CA 1.445 -0.68 0 N-CA-C 117.199 2.296 . . . . 0.0 117.199 175.642 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 4.9 mptp? -75.29 154.88 37.18 Favored 'General case' 0 N--CA 1.432 -1.326 0 N-CA-C 108.473 -0.936 . . . . 0.0 108.473 165.677 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 68' ' ' VAL . . . . . . . . . . . . . 4.5 p -91.77 98.84 8.84 Favored 'Isoleucine or valine' 0 C--N 1.283 -2.299 0 N-CA-C 107.501 -1.296 . . . . 0.0 107.501 176.248 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 69' ' ' ILE . . . . . . . . . . . . . 80.9 mt -117.07 123.48 71.88 Favored 'Isoleucine or valine' 0 C--N 1.302 -1.472 0 N-CA-C 106.539 -1.652 . . . . 0.0 106.539 -177.42 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 70' ' ' LEU . . . . . 0.516 ' CD1' HG13 ' A' ' 59' ' ' VAL . 2.4 mm? -85.56 137.33 32.94 Favored 'General case' 0 N--CA 1.403 -2.778 0 CA-C-N 114.906 -1.043 . . . . 0.0 109.737 -174.626 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 71' ' ' THR . . . . . . . . . . . . . 5.0 t -84.03 -5.6 59.26 Favored 'General case' 0 C--N 1.272 -2.79 0 CA-C-N 112.991 -1.913 . . . . 0.0 109.359 -175.277 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 72' ' ' ASN . . . . . . . . . . . . . 31.6 p30 -88.13 -15.38 36.28 Favored 'General case' 0 N--CA 1.447 -0.597 0 CA-C-N 115.439 -0.801 . . . . 0.0 109.942 177.709 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 73' ' ' GLY . . . . . . . . . . . . . . . 114.09 3.09 23.25 Favored Glycine 0 CA--C 1.502 -0.758 0 CA-C-N 115.319 -0.855 . . . . 0.0 111.457 172.151 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 74' ' ' LYS . . . . . 0.441 ' O ' HD22 ' A' ' 70' ' ' LEU . 30.5 mmtp -89.62 167.62 12.79 Favored 'General case' 0 C--N 1.305 -1.344 0 N-CA-C 113.133 0.79 . . . . 0.0 113.133 -178.419 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 75' ' ' GLN . . . . . . . . . . . . . 61.4 tt0 -106.34 135.45 47.8 Favored 'General case' 0 C--N 1.309 -1.176 0 N-CA-C 105.311 -2.107 . . . . 0.0 105.311 168.605 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 76' ' ' ALA . . . . . 0.496 ' HB3' HD21 ' A' ' 70' ' ' LEU . . . -88.54 156.17 50.7 Favored Pre-proline 0 C--N 1.306 -1.299 0 N-CA-C 110.254 -0.276 . . . . 0.0 110.254 -177.312 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 77' ' ' PRO . . . . . . . . . . . . . 83.1 Cg_exo -54.96 159.79 8.9 Favored 'Trans proline' 0 C--O 1.241 0.651 0 C-N-CA 123.373 2.716 . . . . 0.0 112.375 174.285 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 78' ' ' ASP . . . . . . . . . . . . . 30.1 t70 -64.74 -28.66 69.74 Favored 'General case' 0 C--N 1.314 -0.962 0 C-N-CA 124.387 1.075 . . . . 0.0 110.845 -177.141 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 79' ' ' TRP . . . . . . . . . . . . . 63.7 p-90 -76.9 -13.8 59.95 Favored 'General case' 0 C--O 1.219 -0.54 0 CA-C-N 115.332 -0.849 . . . . 0.0 112.848 179.675 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 32.1 tp -92.03 113.32 25.55 Favored 'General case' 0 N--CA 1.436 -1.126 0 N-CA-C 107.069 -1.456 . . . . 0.0 107.069 -178.439 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -120.23 159.72 24.37 Favored 'General case' 0 C--N 1.307 -1.258 0 CA-C-O 121.448 0.642 . . . . 0.0 111.127 -176.989 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 82' ' ' ALA . . . . . 0.477 ' HA ' ' O ' ' A' ' 26' ' ' VAL . . . -142.04 138.06 31.53 Favored 'General case' 0 C--N 1.302 -1.485 0 CA-C-N 114.621 -1.172 . . . . 0.0 107.859 174.27 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 9.8 pt-20 -140.42 145.78 42.47 Favored Pre-proline 0 C--N 1.307 -1.276 0 N-CA-C 106.467 -1.679 . . . . 0.0 106.467 176.253 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 84' ' ' PRO . . . . . 0.664 ' HA ' ' O ' ' A' ' 24' ' ' SER . 95.0 Cg_endo -68.37 133.89 29.52 Favored 'Trans proline' 0 N--CA 1.449 -1.109 0 C-N-CA 121.138 1.225 . . . . 0.0 110.175 175.671 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 85' ' ' TYR . . . . . . . . . . . . 0.251 0.6 OUTLIER . . . . . 0 C--O 1.245 0.821 0 N-CA-C 115.097 1.517 . . . . 0.0 115.097 -170.927 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 23.2 t . . . . . 0 C--O 1.238 0.487 0 N-CA-C 107.696 -1.224 . . . . 0.0 107.696 . . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . -100.92 107.18 3.22 Favored Glycine 0 N--CA 1.432 -1.593 0 N-CA-C 108.804 -1.718 . . . . 0.0 108.804 176.458 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 10.6 ptp180 -92.0 130.55 37.72 Favored 'General case' 0 C--N 1.309 -1.156 0 CA-C-O 121.89 0.852 . . . . 0.0 112.531 -178.42 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 45.4 mt-10 -104.27 95.97 6.32 Favored 'General case' 0 C--N 1.302 -1.478 0 N-CA-C 106.32 -1.733 . . . . 0.0 106.32 174.938 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 11' ' ' ASN . . . . . . . . . . . . . 14.7 t-20 -150.17 175.14 12.03 Favored 'General case' 0 C--N 1.289 -2.061 0 N-CA-C 105.306 -2.109 . . . . 0.0 105.306 -175.527 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 4.0 pp -71.2 143.9 50.31 Favored 'General case' 0 C--N 1.319 -0.756 0 N-CA-C 106.705 -1.591 . . . . 0.0 106.705 177.039 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 13' ' ' TYR . . . . . 0.425 ' HB2' ' OE1' ' A' ' 15' ' ' GLN . 13.0 p90 -95.52 110.34 22.43 Favored 'General case' 0 C--N 1.291 -1.938 0 CA-C-O 121.562 0.696 . . . . 0.0 110.95 -175.781 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 14' ' ' PHE . . . . . . . . . . . . . 27.3 p90 -117.43 101.18 8.18 Favored 'General case' 0 N--CA 1.434 -1.253 0 CA-C-N 114.602 -1.181 . . . . 0.0 108.922 -178.944 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 15' ' ' GLN . . . . . 0.425 ' OE1' ' HB2' ' A' ' 13' ' ' TYR . 0.6 OUTLIER -147.91 145.33 28.58 Favored 'General case' 0 C--N 1.308 -1.216 0 CA-C-N 115.629 -0.714 . . . . 0.0 109.246 -179.427 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . -118.83 119.84 4.47 Favored Glycine 0 N--CA 1.436 -1.346 0 N-CA-C 109.838 -1.305 . . . . 0.0 109.838 -178.771 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 17' ' ' HIS . . . . . . . . . . . . . 62.5 m-70 -129.02 127.64 42.02 Favored 'General case' 0 C--N 1.302 -1.467 0 CA-C-O 121.295 0.569 . . . . 0.0 111.742 -177.997 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 18' ' ' MET . . . . . . . . . . . . . 3.9 tpt -108.61 88.78 2.81 Favored 'General case' 0 C--N 1.301 -1.533 0 N-CA-C 106.014 -1.847 . . . . 0.0 106.014 174.061 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -91.55 94.71 9.56 Favored 'General case' 0 C--N 1.31 -1.144 0 N-CA-C 107.264 -1.384 . . . . 0.0 107.264 179.628 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -99.17 148.56 34.79 Favored Pre-proline 0 C--N 1.303 -1.448 0 CA-C-N 114.828 -1.078 . . . . 0.0 108.585 -178.261 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 21' ' ' PRO . . . . . . . . . . . . . 35.8 Cg_exo -47.41 109.4 0.22 Allowed 'Trans proline' 0 C--N 1.348 0.528 0 C-N-CA 123.432 2.755 . . . . 0.0 111.309 176.093 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -123.7 15.46 9.45 Favored 'General case' 0 C--N 1.316 -0.867 0 CA-C-O 121.867 0.841 . . . . 0.0 112.291 -175.47 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 23' ' ' ARG . . . . . 0.45 ' C ' HG12 ' A' ' 44' ' ' ILE . 41.9 ttt180 69.68 25.53 5.16 Favored 'General case' 0 C--N 1.304 -1.392 0 CA-C-N 113.629 -1.623 . . . . 0.0 112.402 174.88 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 24' ' ' SER . . . . . 0.618 ' HB2' ' CD1' ' A' ' 85' ' ' TYR . 72.8 m -159.96 138.48 10.45 Favored 'General case' 0 C--N 1.326 -0.436 0 C-N-CA 123.941 0.896 . . . . 0.0 110.167 175.706 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 25' ' ' CYS . . . . . . . . . . . . . 98.0 m -108.38 133.46 52.54 Favored 'General case' 0 CA--C 1.5 -0.953 0 N-CA-C 107.344 -1.354 . . . . 0.0 107.344 179.095 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 26' ' ' VAL . . . . . 0.618 ' O ' ' HA ' ' A' ' 82' ' ' ALA . 2.8 t -113.87 126.57 71.37 Favored 'Isoleucine or valine' 0 C--N 1.293 -1.857 0 N-CA-C 107.942 -1.133 . . . . 0.0 107.942 -177.072 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 27' ' ' TYR . . . . . 0.417 ' HA ' ' O ' ' A' ' 81' ' ' ALA . 62.2 m-85 -98.0 128.25 44.44 Favored 'General case' 0 C--N 1.298 -1.647 0 O-C-N 124.522 1.138 . . . . 0.0 109.494 -175.419 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 28' ' ' TYR . . . . . 0.409 ' CD1' ' HB2' ' A' ' 36' ' ' ARG . 87.1 m-85 -124.03 147.13 48.08 Favored 'General case' 0 N--CA 1.429 -1.511 0 CA-C-N 114.683 -1.144 . . . . 0.0 110.03 -177.166 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 29' ' ' ASP . . . . . 0.491 ' HB3' ' HB ' ' A' ' 37' ' ' VAL . 6.4 t70 -91.13 107.89 19.5 Favored 'General case' 0 C--N 1.294 -1.846 0 N-CA-C 105.694 -1.965 . . . . 0.0 105.694 171.579 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . -170.06 136.48 4.01 Favored Glycine 0 N--CA 1.425 -2.072 0 C-N-CA 118.099 -2.0 . . . . 0.0 113.104 -179.35 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 31' ' ' HIS . . . . . . . . . . . . . 24.0 m-70 -84.95 -34.73 22.39 Favored 'General case' 0 C--N 1.292 -1.899 0 CA-C-N 113.609 -1.295 . . . . 0.0 107.807 178.258 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 10.2 mp -116.46 154.44 49.02 Favored Pre-proline 0 C--N 1.311 -1.077 0 N-CA-C 106.442 -1.688 . . . . 0.0 106.442 178.694 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 33' ' ' PRO . . . . . . . . . . . . . 15.0 Cg_endo -60.87 -20.14 65.28 Favored 'Trans proline' 0 CA--C 1.531 0.348 0 C-N-CA 122.018 1.812 . . . . 0.0 110.702 175.464 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -87.85 -28.99 21.26 Favored 'General case' 0 CA--C 1.537 0.469 0 CA-C-N 115.797 -0.638 . . . . 0.0 112.187 179.28 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 36.6 p -93.29 21.25 6.19 Favored 'General case' 0 N--CA 1.466 0.368 0 CA-C-O 121.731 0.777 . . . . 0.0 111.968 -175.292 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 36' ' ' ARG . . . . . 0.409 ' HB2' ' CD1' ' A' ' 28' ' ' TYR . 11.4 ptp180 -63.63 134.16 54.95 Favored 'General case' 0 C--N 1.316 -0.874 0 CA-C-N 113.887 -1.506 . . . . 0.0 112.581 179.673 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 37' ' ' VAL . . . . . 0.491 ' HB ' ' HB3' ' A' ' 29' ' ' ASP . 54.1 t -120.79 121.36 65.04 Favored 'Isoleucine or valine' 0 C--N 1.315 -0.929 0 N-CA-C 106.928 -1.508 . . . . 0.0 106.928 172.086 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 3.1 tm? -60.84 109.13 0.97 Allowed 'General case' 0 C--N 1.317 -0.819 0 C-N-CA 125.02 1.328 . . . . 0.0 110.999 -178.249 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 85.3 mt -91.87 -61.19 1.68 Allowed 'General case' 0 C--N 1.326 -0.43 0 N-CA-C 112.911 0.708 . . . . 0.0 112.911 177.862 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 40' ' ' MET . . . . . . . . . . . . . 45.4 ttm -162.61 149.52 13.22 Favored 'General case' 0 N--CA 1.444 -0.772 0 CA-C-N 116.511 -0.313 . . . . 0.0 111.384 -175.373 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 41' ' ' TYR . . . . . . . . . . . . . 45.0 m-85 -100.44 131.76 46.18 Favored 'General case' 0 C--N 1.326 -0.44 0 N-CA-C 107.503 -1.295 . . . . 0.0 107.503 174.026 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 24.9 t -124.62 131.78 72.23 Favored 'Isoleucine or valine' 0 C--N 1.312 -1.049 0 N-CA-C 107.642 -1.244 . . . . 0.0 107.642 177.376 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 43' ' ' ARG . . . . . 0.511 ' O ' ' HB3' ' A' ' 46' ' ' ASN . 2.2 tmt_? -81.4 142.86 32.6 Favored 'General case' 0 C--N 1.301 -1.539 0 N-CA-C 108.444 -0.947 . . . . 0.0 108.444 -177.387 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 44' ' ' ILE . . . . . 0.455 ' HA ' ' O ' ' A' ' 61' ' ' ALA . 23.4 mm -59.44 124.35 13.54 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.5 0 CA-C-O 121.548 0.69 . . . . 0.0 110.097 179.633 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . 106.6 -18.02 38.58 Favored Glycine 0 C--N 1.306 -1.103 0 N-CA-C 110.133 -1.187 . . . . 0.0 110.133 -179.976 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 46' ' ' ASN . . . . . 0.511 ' HB3' ' O ' ' A' ' 43' ' ' ARG . 25.5 t-20 -98.43 157.31 16.29 Favored 'General case' 0 C--N 1.312 -1.061 0 CA-C-N 114.372 -0.914 . . . . 0.0 111.631 -174.799 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 13.5 p -115.91 148.24 40.23 Favored 'General case' 0 C--N 1.295 -1.803 0 CA-C-N 114.3 -1.318 . . . . 0.0 110.458 178.613 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -152.51 132.52 13.41 Favored 'General case' 0 C--N 1.305 -1.362 0 O-C-N 123.945 0.778 . . . . 0.0 113.005 -178.625 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 1.3 m -77.73 109.93 12.14 Favored 'General case' 0 C--N 1.305 -1.339 0 CA-C-N 114.198 -1.365 . . . . 0.0 110.121 175.668 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 50' ' ' ILE . . . . . . . . . . . . . 29.8 mm -96.03 110.34 24.31 Favored 'Isoleucine or valine' 0 C--N 1.313 -1.022 0 N-CA-C 107.802 -1.185 . . . . 0.0 107.802 -179.823 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 51' ' ' THR . . . . . 0.425 ' HA ' ' O ' ' A' ' 55' ' ' HIS . 86.4 m -95.62 123.23 39.08 Favored 'General case' 0 C--N 1.296 -1.751 0 C-N-CA 119.036 -1.066 . . . . 0.0 109.506 175.532 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -150.5 128.52 11.84 Favored 'General case' 0 C--N 1.314 -0.938 0 N-CA-C 106.859 -1.534 . . . . 0.0 106.859 177.597 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 53' ' ' ARG . . . . . . . . . . . . . 61.5 mtp180 65.44 16.88 10.74 Favored 'General case' 0 N--CA 1.482 1.135 0 C-N-CA 124.163 0.985 . . . . 0.0 112.196 -177.905 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . 84.2 9.49 82.02 Favored Glycine 0 C--N 1.299 -1.489 0 CA-C-N 115.046 -0.979 . . . . 0.0 111.424 -176.576 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 55' ' ' HIS . . . . . 0.425 ' O ' ' HA ' ' A' ' 51' ' ' THR . 12.4 m-70 -105.58 127.28 52.95 Favored 'General case' 0 C--N 1.319 -0.756 0 N-CA-C 108.155 -1.054 . . . . 0.0 108.155 178.41 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 9.5 mp0 -90.9 122.93 34.02 Favored 'General case' 0 N--CA 1.432 -1.338 0 N-CA-C 108.96 -0.755 . . . . 0.0 108.96 172.171 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 57' ' ' PHE . . . . . . . . . . . . . 86.7 m-85 -106.78 108.11 19.46 Favored 'General case' 0 N--CA 1.427 -1.606 0 N-CA-C 104.446 -2.428 . . . . 0.0 104.446 174.004 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 6.9 tp10 -83.88 109.01 17.23 Favored 'General case' 0 C--N 1.306 -1.318 0 N-CA-C 105.147 -2.168 . . . . 0.0 105.147 179.805 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 59' ' ' VAL . . . . . 0.503 HG12 ' CD1' ' A' ' 70' ' ' LEU . 5.3 m -106.74 163.03 5.17 Favored 'Isoleucine or valine' 0 C--N 1.294 -1.837 0 N-CA-C 109.657 -0.497 . . . . 0.0 109.657 -175.031 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 60' ' ' GLU . . . . . 0.4 ' HB2' ' HB ' ' A' ' 71' ' ' THR . 44.2 tt0 -129.92 115.82 17.74 Favored 'General case' 0 C--N 1.291 -1.976 0 N-CA-C 105.84 -1.911 . . . . 0.0 105.84 170.398 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 61' ' ' ALA . . . . . 0.455 ' O ' ' HA ' ' A' ' 44' ' ' ILE . . . -77.49 88.49 3.84 Favored 'General case' 0 C--O 1.209 -1.035 0 N-CA-C 105.103 -2.184 . . . . 0.0 105.103 174.026 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -96.06 -24.53 16.29 Favored 'General case' 0 C--N 1.296 -1.76 0 N-CA-C 115.021 1.489 . . . . 0.0 115.021 -171.199 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 30.3 t70 -139.75 143.46 36.97 Favored 'General case' 0 N--CA 1.434 -1.253 0 N-CA-C 108.376 -0.972 . . . . 0.0 108.376 -176.267 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 64' ' ' GLN . . . . . . . . . . . . . 21.8 mm-40 -63.75 -9.25 13.42 Favored 'General case' 0 C--N 1.321 -0.662 0 C-N-CA 124.707 1.203 . . . . 0.0 113.948 -176.079 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 65' ' ' ASN . . . . . . . . . . . . . 41.5 m-80 -84.17 -8.22 59.14 Favored 'General case' 0 CA--C 1.507 -0.68 0 C-N-CA 119.698 -0.801 . . . . 0.0 109.082 179.723 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 66' ' ' CYS . . . . . . . . . . . . 0.275 75.3 m 54.06 56.02 7.57 Favored 'General case' 0 N--CA 1.435 -1.175 0 N-CA-C 117.117 2.266 . . . . 0.0 117.117 172.114 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 4.7 mptp? -78.28 155.11 30.39 Favored 'General case' 0 CA--C 1.48 -1.746 0 N-CA-C 107.148 -1.427 . . . . 0.0 107.148 167.831 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 68' ' ' VAL . . . . . . . . . . . . . 5.2 p -87.11 99.05 7.88 Favored 'Isoleucine or valine' 0 C--N 1.274 -2.713 0 C-N-CA 117.942 -1.503 . . . . 0.0 107.311 176.209 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 69' ' ' ILE . . . . . . . . . . . . . 84.8 mt -119.33 123.14 70.73 Favored 'Isoleucine or valine' 0 N--CA 1.424 -1.767 0 N-CA-C 106.234 -1.765 . . . . 0.0 106.234 -176.988 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 70' ' ' LEU . . . . . 0.503 ' CD1' HG12 ' A' ' 59' ' ' VAL . 2.4 mm? -83.66 146.46 28.24 Favored 'General case' 0 N--CA 1.399 -3.002 0 CA-C-N 114.507 -1.224 . . . . 0.0 108.545 -177.092 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 71' ' ' THR . . . . . 0.4 ' HB ' ' HB2' ' A' ' 60' ' ' GLU . 6.2 t -83.33 -10.65 58.36 Favored 'General case' 0 C--N 1.271 -2.842 0 CA-C-N 113.941 -1.481 . . . . 0.0 110.656 -175.664 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 72' ' ' ASN . . . . . . . . . . . . . 32.4 p-10 -103.24 -14.56 16.3 Favored 'General case' 0 C--N 1.318 -0.78 0 N-CA-C 113.925 1.083 . . . . 0.0 113.925 -173.907 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 73' ' ' GLY . . . . . . . . . . . . . . . 116.45 3.95 18.25 Favored Glycine 0 C--N 1.315 -0.629 0 C-N-CA 119.197 -1.478 . . . . 0.0 112.58 175.642 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 62.9 mmtt -76.0 167.28 22.15 Favored 'General case' 0 C--N 1.311 -1.081 0 CA-C-O 121.64 0.733 . . . . 0.0 110.759 176.447 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 75' ' ' GLN . . . . . . . . . . . . . 20.5 tt0 -117.38 126.23 52.33 Favored 'General case' 0 C--N 1.297 -1.71 0 N-CA-C 105.019 -2.215 . . . . 0.0 105.019 168.791 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 76' ' ' ALA . . . . . 0.447 ' HB3' HD23 ' A' ' 80' ' ' LEU . . . -87.51 150.18 48.21 Favored Pre-proline 0 C--N 1.305 -1.364 0 C-N-CA 119.977 -0.689 . . . . 0.0 109.597 -178.778 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 77' ' ' PRO . . . . . 0.415 ' HB2' ' CD1' ' A' ' 79' ' ' TRP . 22.7 Cg_exo -65.98 159.59 48.43 Favored 'Trans proline' 0 C--O 1.236 0.414 0 C-N-CA 122.809 2.34 . . . . 0.0 113.11 179.888 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 78' ' ' ASP . . . . . . . . . . . . . 21.0 t70 -59.25 -24.16 62.97 Favored 'General case' 0 C--N 1.318 -0.798 0 C-N-CA 125.39 1.476 . . . . 0.0 113.091 -179.069 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 79' ' ' TRP . . . . . 0.415 ' CD1' ' HB2' ' A' ' 77' ' ' PRO . 64.3 p-90 -76.87 -15.44 59.7 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 121.862 -0.524 . . . . 0.0 111.531 179.393 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 80' ' ' LEU . . . . . 0.447 HD23 ' HB3' ' A' ' 76' ' ' ALA . 28.2 tp -90.39 105.96 18.17 Favored 'General case' 0 N--CA 1.435 -1.21 0 N-CA-C 108.385 -0.968 . . . . 0.0 108.385 -179.124 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 81' ' ' ALA . . . . . 0.417 ' O ' ' HA ' ' A' ' 27' ' ' TYR . . . -103.04 165.99 10.7 Favored 'General case' 0 C--N 1.313 -0.993 0 CA-C-N 115.837 -0.619 . . . . 0.0 110.831 -177.817 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 82' ' ' ALA . . . . . 0.618 ' HA ' ' O ' ' A' ' 26' ' ' VAL . . . -153.46 137.07 15.98 Favored 'General case' 0 C--N 1.308 -1.21 0 CA-C-N 114.515 -1.22 . . . . 0.0 110.49 176.41 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 18.3 pt-20 -138.11 141.61 32.77 Favored Pre-proline 0 C--N 1.321 -0.632 0 N-CA-C 106.275 -1.75 . . . . 0.0 106.275 176.066 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 84' ' ' PRO . . . . . 0.61 ' HA ' ' O ' ' A' ' 24' ' ' SER . 74.1 Cg_endo -68.06 119.67 6.67 Favored 'Trans proline' 0 N--CA 1.454 -0.814 0 CA-C-N 120.959 1.378 . . . . 0.0 109.308 172.429 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 85' ' ' TYR . . . . . 0.618 ' CD1' ' HB2' ' A' ' 24' ' ' SER 0.257 0.1 OUTLIER . . . . . 0 C--O 1.25 1.097 0 N-CA-C 115.931 1.826 . . . . 0.0 115.931 -171.223 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 15.2 m . . . . . 0 N--CA 1.449 -0.484 0 CA-C-O 121.94 0.876 . . . . 0.0 108.945 . . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . -116.41 124.22 6.13 Favored Glycine 0 N--CA 1.427 -1.935 0 N-CA-C 109.265 -1.534 . . . . 0.0 109.265 -179.222 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 8.1 ptm180 -132.11 92.01 3.04 Favored 'General case' 0 C--N 1.3 -1.548 0 CA-C-O 122.38 1.086 . . . . 0.0 109.019 179.065 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 10.6 pt-20 -94.76 98.22 10.61 Favored 'General case' 0 N--CA 1.436 -1.159 0 CA-C-N 115.001 -1.0 . . . . 0.0 109.172 179.455 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 11' ' ' ASN . . . . . . . . . . . . . 8.9 t30 -84.39 102.48 12.78 Favored 'General case' 0 C--N 1.308 -1.229 0 N-CA-C 107.582 -1.266 . . . . 0.0 107.582 178.145 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 93.1 mt -83.5 -179.64 7.4 Favored 'General case' 0 C--N 1.305 -1.342 0 CA-C-N 115.536 -0.757 . . . . 0.0 109.285 179.822 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 13' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER -135.88 163.19 30.81 Favored 'General case' 0 C--N 1.286 -2.193 0 CA-C-N 115.276 -0.874 . . . . 0.0 110.498 -178.487 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 14' ' ' PHE . . . . . . . . . . . . . 77.4 m-85 -74.72 104.98 5.58 Favored 'General case' 0 N--CA 1.437 -1.123 0 O-C-N 124.805 1.316 . . . . 0.0 107.893 -179.072 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 11.5 pt20 -92.21 138.96 31.09 Favored 'General case' 0 N--CA 1.434 -1.227 0 CA-C-N 114.689 -1.141 . . . . 0.0 110.279 -173.427 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . -124.18 89.64 0.4 Allowed Glycine 0 N--CA 1.439 -1.119 0 N-CA-C 109.586 -1.405 . . . . 0.0 109.586 178.144 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 17' ' ' HIS . . . . . . . . . . . . . 53.0 m-70 -142.98 170.15 16.24 Favored 'General case' 0 C--N 1.315 -0.892 0 N-CA-C 108.119 -1.067 . . . . 0.0 108.119 -177.374 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 18' ' ' MET . . . . . . . . . . . . . 91.9 mtp -94.44 176.97 6.1 Favored 'General case' 0 C--N 1.32 -0.711 0 N-CA-C 109.546 -0.538 . . . . 0.0 109.546 175.962 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -65.53 108.63 2.08 Favored 'General case' 0 C--N 1.313 -1.01 0 O-C-N 124.43 1.081 . . . . 0.0 110.482 -179.648 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -110.28 146.98 35.38 Favored Pre-proline 0 C--N 1.308 -1.211 0 N-CA-C 108.362 -0.977 . . . . 0.0 108.362 179.572 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 21' ' ' PRO . . . . . . . . . . . . . 73.0 Cg_exo -48.57 112.03 0.55 Allowed 'Trans proline' 0 C--O 1.247 0.931 0 C-N-CA 123.004 2.47 . . . . 0.0 110.058 173.534 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -127.36 25.82 6.08 Favored 'General case' 0 C--N 1.323 -0.573 0 CA-C-N 115.719 -0.673 . . . . 0.0 112.723 -173.036 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 23' ' ' ARG . . . . . 0.546 ' C ' HG12 ' A' ' 44' ' ' ILE . 68.6 mtp180 65.38 20.84 11.86 Favored 'General case' 0 C--N 1.31 -1.114 0 N-CA-C 115.048 1.499 . . . . 0.0 115.048 178.405 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 24' ' ' SER . . . . . 0.625 ' O ' ' HA ' ' A' ' 84' ' ' PRO . 52.9 m -153.72 141.35 19.91 Favored 'General case' 0 C--N 1.32 -0.698 0 O-C-N 121.054 -1.029 . . . . 0.0 110.04 174.714 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 25' ' ' CYS . . . . . . . . . . . . . 96.1 m -108.11 131.11 54.96 Favored 'General case' 0 CA--C 1.495 -1.148 0 N-CA-C 106.668 -1.604 . . . . 0.0 106.668 177.443 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 26' ' ' VAL . . . . . 0.595 ' O ' ' HA ' ' A' ' 82' ' ' ALA . 2.9 t -114.9 124.1 71.23 Favored 'Isoleucine or valine' 0 C--N 1.287 -2.118 0 N-CA-C 107.191 -1.411 . . . . 0.0 107.191 -175.351 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 27' ' ' TYR . . . . . . . . . . . . . 94.6 m-85 -92.84 135.75 33.86 Favored 'General case' 0 C--N 1.29 -1.997 0 O-C-N 124.514 1.134 . . . . 0.0 109.795 -175.776 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 28' ' ' TYR . . . . . 0.488 ' HA ' ' O ' ' A' ' 37' ' ' VAL . 42.6 m-85 -129.26 151.32 50.04 Favored 'General case' 0 N--CA 1.416 -2.152 0 CA-C-N 114.622 -1.172 . . . . 0.0 109.461 -179.481 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 29' ' ' ASP . . . . . 0.43 ' HB3' ' HB ' ' A' ' 37' ' ' VAL . 7.1 t0 -102.0 102.4 12.91 Favored 'General case' 0 C--N 1.297 -1.716 0 CA-C-N 114.648 -1.16 . . . . 0.0 108.11 174.034 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . -170.94 134.37 3.09 Favored Glycine 0 N--CA 1.431 -1.646 0 C-N-CA 120.451 -0.881 . . . . 0.0 113.345 178.334 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 31' ' ' HIS . . . . . . . . . . . . . 86.5 m-70 -83.53 -21.16 32.81 Favored 'General case' 0 C--N 1.306 -1.291 0 N-CA-C 106.964 -1.495 . . . . 0.0 106.964 176.16 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 2.5 mm? -124.11 145.62 48.81 Favored Pre-proline 0 N--CA 1.434 -1.239 0 N-CA-C 106.304 -1.739 . . . . 0.0 106.304 175.906 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 33' ' ' PRO . . . . . . . . . . . . . 33.8 Cg_endo -68.14 -8.93 24.21 Favored 'Trans proline' 0 CA--C 1.536 0.623 0 C-N-CA 123.165 2.576 . . . . 0.0 111.192 176.043 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -82.14 -51.34 8.08 Favored 'General case' 0 C--N 1.315 -0.925 0 CA-C-N 115.274 -0.875 . . . . 0.0 109.9 177.4 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 26.8 p -90.79 14.22 14.17 Favored 'General case' 0 C--N 1.312 -1.051 0 CA-C-N 115.256 -0.884 . . . . 0.0 112.462 -173.149 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 36' ' ' ARG . . . . . 0.423 ' HB2' ' HB3' ' A' ' 28' ' ' TYR . 30.4 ptt180 -72.99 139.82 46.93 Favored 'General case' 0 C--N 1.322 -0.6 0 CA-C-O 121.038 0.447 . . . . 0.0 111.834 -176.455 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 37' ' ' VAL . . . . . 0.488 ' O ' ' HA ' ' A' ' 28' ' ' TYR . 70.9 t -110.16 133.9 54.04 Favored 'Isoleucine or valine' 0 C--N 1.316 -0.85 0 C-N-CA 124.298 1.039 . . . . 0.0 108.48 -174.946 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 2.6 tm? -70.29 110.81 5.46 Favored 'General case' 0 C--N 1.312 -1.044 0 N-CA-C 109.064 -0.717 . . . . 0.0 109.064 -178.595 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 99.2 mt -90.74 -61.76 1.6 Allowed 'General case' 0 C--N 1.328 -0.351 0 C-N-CA 120.744 -0.382 . . . . 0.0 111.681 179.388 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 40' ' ' MET . . . . . . . . . . . . . 33.9 ttp -167.77 150.38 5.79 Favored 'General case' 0 N--CA 1.448 -0.551 0 N-CA-C 111.975 0.361 . . . . 0.0 111.975 -176.695 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 41' ' ' TYR . . . . . . . . . . . . . 58.5 m-85 -93.89 125.77 38.7 Favored 'General case' 0 C--O 1.237 0.428 0 C-N-CA 124.097 0.959 . . . . 0.0 108.63 175.919 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 49.0 t -120.42 126.46 75.28 Favored 'Isoleucine or valine' 0 C--N 1.312 -1.037 0 N-CA-C 109.856 -0.424 . . . . 0.0 109.856 179.095 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 43' ' ' ARG . . . . . 0.424 ' O ' ' HB3' ' A' ' 46' ' ' ASN . 41.1 mmm-85 -64.58 145.33 56.32 Favored 'General case' 0 C--N 1.308 -1.228 0 N-CA-C 113.216 0.821 . . . . 0.0 113.216 176.457 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 44' ' ' ILE . . . . . 0.546 HG12 ' C ' ' A' ' 23' ' ' ARG . 36.3 mm -68.16 133.65 31.38 Favored 'Isoleucine or valine' 0 C--N 1.304 -1.401 0 CA-C-N 114.572 -1.195 . . . . 0.0 108.421 175.897 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . 95.28 1.98 62.31 Favored Glycine 0 C--N 1.3 -1.447 0 N-CA-C 109.829 -1.308 . . . . 0.0 109.829 179.192 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 46' ' ' ASN . . . . . 0.424 ' HB3' ' O ' ' A' ' 43' ' ' ARG . 51.6 t30 -119.75 161.73 20.25 Favored 'General case' 0 N--CA 1.435 -1.193 0 CA-C-N 114.572 -0.814 . . . . 0.0 109.886 -176.151 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 19.3 p -115.35 157.79 23.35 Favored 'General case' 0 C--N 1.286 -2.154 0 N-CA-C 107.595 -1.261 . . . . 0.0 107.595 178.199 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -160.49 137.57 9.17 Favored 'General case' 0 C--N 1.306 -1.293 0 N-CA-C 114.063 1.135 . . . . 0.0 114.063 -179.964 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 2.6 m -77.04 108.38 10.07 Favored 'General case' 0 C--N 1.306 -1.298 0 C-N-CA 125.747 1.619 . . . . 0.0 109.843 175.366 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 50' ' ' ILE . . . . . . . . . . . . . 10.8 mm -101.28 112.67 35.02 Favored 'Isoleucine or valine' 0 C--N 1.315 -0.905 0 N-CA-C 107.85 -1.167 . . . . 0.0 107.85 178.639 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 94.8 m -92.71 123.69 36.17 Favored 'General case' 0 C--N 1.298 -1.665 0 C-N-CA 118.187 -1.405 . . . . 0.0 108.448 175.705 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -145.87 123.9 12.1 Favored 'General case' 0 C--N 1.311 -1.071 0 N-CA-C 107.836 -1.172 . . . . 0.0 107.836 178.36 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 53' ' ' ARG . . . . . . . . . . . . . 80.7 mtt85 62.74 26.23 15.52 Favored 'General case' 0 N--CA 1.474 0.773 0 CA-C-O 122.178 0.99 . . . . 0.0 110.246 -177.6 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . 82.88 3.39 90.51 Favored Glycine 0 N--CA 1.443 -0.872 0 CA-C-N 114.433 -1.258 . . . . 0.0 113.235 -179.933 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 55' ' ' HIS . . . . . . . . . . . . . 85.4 m-70 -104.62 127.88 52.49 Favored 'General case' 0 C--N 1.321 -0.67 0 N-CA-C 108.861 -0.792 . . . . 0.0 108.861 179.801 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 14.8 mp0 -85.17 123.36 30.59 Favored 'General case' 0 C--N 1.312 -1.037 0 N-CA-C 109.544 -0.539 . . . . 0.0 109.544 172.515 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 57' ' ' PHE . . . . . 0.405 ' HB3' HD13 ' A' ' 70' ' ' LEU . 97.6 m-85 -109.36 104.84 14.02 Favored 'General case' 0 N--CA 1.421 -1.92 0 N-CA-C 105.011 -2.218 . . . . 0.0 105.011 175.453 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 19.2 tp10 -84.27 110.57 18.66 Favored 'General case' 0 N--CA 1.431 -1.38 0 N-CA-C 103.846 -2.65 . . . . 0.0 103.846 178.432 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 59' ' ' VAL . . . . . 0.479 ' HA ' ' HA ' ' A' ' 70' ' ' LEU . 35.4 m -99.87 165.06 2.5 Favored 'Isoleucine or valine' 0 C--N 1.291 -1.952 0 CA-C-N 115.678 -0.692 . . . . 0.0 110.399 -176.642 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 41.0 tt0 -126.26 99.75 6.0 Favored 'General case' 0 N--CA 1.411 -2.377 0 N-CA-C 104.961 -2.237 . . . . 0.0 104.961 178.318 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -83.66 87.93 7.05 Favored 'General case' 0 CA--C 1.501 -0.942 0 N-CA-C 106.46 -1.681 . . . . 0.0 106.46 179.5 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 17.8 ptmt -96.06 -25.56 15.85 Favored 'General case' 0 C--N 1.301 -1.515 0 N-CA-C 115.457 1.651 . . . . 0.0 115.457 -176.219 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 21.8 t70 -134.95 137.33 42.99 Favored 'General case' 0 N--CA 1.437 -1.111 0 C-N-CA 119.338 -0.945 . . . . 0.0 109.154 -177.367 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 64' ' ' GLN . . . . . . . . . . . . 0.338 15.5 pt20 -74.36 14.65 0.42 Allowed 'General case' 0 C--N 1.319 -0.74 0 N-CA-C 116.694 2.109 . . . . 0.0 116.694 -177.32 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 65' ' ' ASN . . . . . . . . . . . . . 10.2 m120 -88.75 -11.25 45.57 Favored 'General case' 0 C--N 1.325 -0.463 0 CA-C-O 122.524 1.154 . . . . 0.0 107.905 167.968 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 66' ' ' CYS . . . . . . . . . . . . 0.291 83.7 m 58.83 55.77 4.44 Favored 'General case' 0 N--CA 1.44 -0.964 0 N-CA-C 118.602 2.815 . . . . 0.0 118.602 170.394 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 4.7 mptp? -79.41 155.19 28.48 Favored 'General case' 0 N--CA 1.431 -1.414 0 N-CA-C 107.606 -1.257 . . . . 0.0 107.606 164.919 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 68' ' ' VAL . . . . . . . . . . . . . 7.6 p -85.24 109.49 18.25 Favored 'Isoleucine or valine' 0 C--N 1.286 -2.164 0 C-N-CA 118.691 -1.204 . . . . 0.0 109.946 179.095 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 69' ' ' ILE . . . . . . . . . . . . . 98.5 mt -119.66 128.73 75.9 Favored 'Isoleucine or valine' 0 C--N 1.309 -1.184 0 N-CA-C 106.692 -1.595 . . . . 0.0 106.692 -179.455 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 70' ' ' LEU . . . . . 0.512 HD23 ' HB1' ' A' ' 76' ' ' ALA . 3.7 mm? -95.93 154.98 16.95 Favored 'General case' 0 C--N 1.297 -1.706 0 CA-C-N 116.079 -0.51 . . . . 0.0 110.734 -177.428 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 71' ' ' THR . . . . . . . . . . . . . 41.1 p -65.72 -27.4 68.29 Favored 'General case' 0 C--N 1.296 -1.726 0 CA-C-N 114.556 -1.202 . . . . 0.0 110.865 176.841 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 72' ' ' ASN . . . . . 0.443 ' HB2' ' HG2' ' A' ' 74' ' ' LYS . 43.4 m-80 -91.37 -3.73 56.44 Favored 'General case' 0 C--N 1.316 -0.852 0 CA-C-N 115.267 -0.879 . . . . 0.0 109.175 -179.075 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 73' ' ' GLY . . . . . . . . . . . . . . . 72.67 29.96 64.75 Favored Glycine 0 CA--C 1.499 -0.924 0 CA-C-N 114.704 -1.135 . . . . 0.0 110.891 177.962 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 74' ' ' LYS . . . . . 0.443 ' HG2' ' HB2' ' A' ' 72' ' ' ASN . 30.0 mmmt -75.66 154.07 36.79 Favored 'General case' 0 N--CA 1.426 -1.633 0 CA-C-N 114.055 -1.072 . . . . 0.0 112.737 -174.236 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 75' ' ' GLN . . . . . . . . . . . . . 33.7 tt0 -78.79 104.9 9.73 Favored 'General case' 0 C--N 1.3 -1.569 0 N-CA-C 105.025 -2.213 . . . . 0.0 105.025 172.203 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 76' ' ' ALA . . . . . 0.512 ' HB1' HD23 ' A' ' 70' ' ' LEU . . . -79.91 141.61 55.22 Favored Pre-proline 0 N--CA 1.434 -1.237 0 C-N-CA 119.405 -0.918 . . . . 0.0 109.977 -178.228 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 77' ' ' PRO . . . . . . . . . . . . . 75.3 Cg_exo -49.07 152.14 5.24 Favored 'Trans proline' 0 N--CA 1.461 -0.414 0 C-N-CA 123.703 2.935 . . . . 0.0 112.908 176.048 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 78' ' ' ASP . . . . . . . . . . . . . 7.3 p-10 -66.21 -13.3 60.08 Favored 'General case' 0 C--N 1.319 -0.732 0 CA-C-N 115.686 -0.688 . . . . 0.0 112.066 -178.371 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 79' ' ' TRP . . . . . . . . . . . . . 62.0 p-90 -90.44 -8.1 51.4 Favored 'General case' 0 N--CA 1.445 -0.676 0 CA-C-O 120.98 0.419 . . . . 0.0 111.218 176.541 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 80' ' ' LEU . . . . . 0.468 HD22 ' HB2' ' A' ' 76' ' ' ALA . 20.2 tp -88.69 104.87 17.28 Favored 'General case' 0 N--CA 1.425 -1.709 0 C-N-CA 119.101 -1.04 . . . . 0.0 108.343 -177.727 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 81' ' ' ALA . . . . . 0.417 ' HB1' ' HB2' ' A' ' 28' ' ' TYR . . . -108.72 162.14 14.45 Favored 'General case' 0 CA--C 1.496 -1.099 0 CA-C-N 115.721 -0.672 . . . . 0.0 111.118 -177.141 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 82' ' ' ALA . . . . . 0.595 ' HA ' ' O ' ' A' ' 26' ' ' VAL . . . -152.14 140.64 20.67 Favored 'General case' 0 C--N 1.302 -1.459 0 CA-C-N 114.183 -1.371 . . . . 0.0 108.36 175.601 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 18.6 pt-20 -143.26 150.52 52.24 Favored Pre-proline 0 C--N 1.31 -1.124 0 N-CA-C 106.096 -1.816 . . . . 0.0 106.096 175.055 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 84' ' ' PRO . . . . . 0.625 ' HA ' ' O ' ' A' ' 24' ' ' SER . 95.6 Cg_endo -73.34 122.57 8.07 Favored 'Trans proline' 0 N--CA 1.445 -1.373 0 C-N-CA 121.079 1.186 . . . . 0.0 109.11 171.869 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 85' ' ' TYR . . . . . 0.614 ' CD1' ' HB2' ' A' ' 24' ' ' SER . 0.8 OUTLIER . . . . . 0 C--O 1.253 1.266 0 C-N-CA 125.886 1.674 . . . . 0.0 115.434 -171.015 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 23.3 t . . . . . 0 C--O 1.238 0.45 0 N-CA-C 108.659 -0.867 . . . . 0.0 108.659 . . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . -107.01 89.3 0.58 Allowed Glycine 0 CA--C 1.492 -1.352 0 N-CA-C 109.317 -1.513 . . . . 0.0 109.317 179.615 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 54.0 ttt180 -142.73 102.4 4.03 Favored 'General case' 0 N--CA 1.415 -2.195 0 CA-C-O 121.228 0.537 . . . . 0.0 109.907 -177.934 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 8.3 mp0 -117.06 126.32 52.67 Favored 'General case' 0 C--N 1.304 -1.396 0 N-CA-C 106.319 -1.734 . . . . 0.0 106.319 176.08 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 11' ' ' ASN . . . . . . . . . . . . . 40.4 t-20 -85.01 101.43 12.38 Favored 'General case' 0 C--N 1.313 -1.0 0 CA-C-O 121.735 0.779 . . . . 0.0 109.977 -178.222 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 88.7 mt -128.8 -179.51 5.12 Favored 'General case' 0 C--N 1.308 -1.218 0 CA-C-N 114.673 -1.148 . . . . 0.0 108.679 -179.114 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 13' ' ' TYR . . . . . . . . . . . . . 66.1 m-85 -68.08 121.53 16.34 Favored 'General case' 0 C--N 1.305 -1.365 0 N-CA-C 113.15 0.796 . . . . 0.0 113.15 -176.918 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 14' ' ' PHE . . . . . . . . . . . . . 44.1 m-85 -80.38 89.4 5.56 Favored 'General case' 0 N--CA 1.438 -1.068 0 N-CA-C 105.405 -2.072 . . . . 0.0 105.405 168.734 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 46.7 mt-30 -73.27 92.54 1.79 Allowed 'General case' 0 C--N 1.308 -1.197 0 CA-C-N 114.054 -1.43 . . . . 0.0 109.397 -178.073 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . -75.91 100.94 1.39 Allowed Glycine 0 N--CA 1.42 -2.39 0 CA-C-N 113.498 -1.683 . . . . 0.0 110.27 179.077 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 17' ' ' HIS . . . . . . . . . . . . . 73.4 m-70 -71.49 131.09 42.8 Favored 'General case' 0 C--N 1.309 -1.162 0 N-CA-C 104.607 -2.368 . . . . 0.0 104.607 173.715 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 18' ' ' MET . . . . . . . . . . . . . 89.0 mtp -56.1 126.38 25.76 Favored 'General case' 0 CA--C 1.499 -0.983 0 CA-C-O 122.573 1.177 . . . . 0.0 113.986 -175.288 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -133.15 142.81 48.85 Favored 'General case' 0 C--N 1.293 -1.848 0 CA-C-N 112.113 -2.312 . . . . 0.0 105.317 -179.871 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -90.48 148.58 39.14 Favored Pre-proline 0 C--N 1.296 -1.721 0 CA-C-O 119.406 -0.331 . . . . 0.0 110.253 -175.759 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 21' ' ' PRO . . . . . . . . . . . . . 51.6 Cg_exo -59.46 96.04 0.09 OUTLIER 'Trans proline' 0 C--N 1.352 0.761 0 C-N-CA 122.477 2.118 . . . . 0.0 108.896 171.988 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -107.07 20.81 18.49 Favored 'General case' 0 C--N 1.311 -1.105 0 CA-C-N 114.615 -1.175 . . . . 0.0 113.532 -171.475 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 23' ' ' ARG . . . . . 0.461 ' C ' HG12 ' A' ' 44' ' ' ILE . 53.2 mtt180 64.2 24.34 13.37 Favored 'General case' 0 C--N 1.304 -1.378 0 N-CA-C 114.471 1.286 . . . . 0.0 114.471 179.775 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 24' ' ' SER . . . . . 0.67 ' O ' ' HA ' ' A' ' 84' ' ' PRO . 75.0 m -148.49 143.55 26.78 Favored 'General case' 0 C--N 1.317 -0.837 0 O-C-N 121.776 -0.577 . . . . 0.0 110.69 174.534 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 25' ' ' CYS . . . . . . . . . . . . . 55.9 m -107.81 131.23 54.69 Favored 'General case' 0 CA--C 1.501 -0.909 0 N-CA-C 106.705 -1.591 . . . . 0.0 106.705 175.416 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 26' ' ' VAL . . . . . 0.544 ' O ' ' HA ' ' A' ' 82' ' ' ALA . 6.7 t -115.05 114.11 45.55 Favored 'Isoleucine or valine' 0 C--N 1.286 -2.173 0 N-CA-C 106.73 -1.582 . . . . 0.0 106.73 -174.264 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 27' ' ' TYR . . . . . . . . . . . . . 19.2 m-85 -88.84 129.82 35.51 Favored 'General case' 0 C--N 1.309 -1.174 0 O-C-N 123.924 0.765 . . . . 0.0 112.162 -173.22 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 28' ' ' TYR . . . . . 0.553 ' HA ' ' O ' ' A' ' 37' ' ' VAL . 97.6 m-85 -127.46 138.31 52.92 Favored 'General case' 0 N--CA 1.418 -2.07 0 CA-C-N 114.325 -1.307 . . . . 0.0 110.56 -178.493 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 29' ' ' ASP . . . . . 0.445 ' HB3' ' HB ' ' A' ' 37' ' ' VAL . 2.2 t70 -92.24 102.66 15.17 Favored 'General case' 0 C--N 1.301 -1.502 0 N-CA-C 106.454 -1.684 . . . . 0.0 106.454 173.25 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . -172.81 137.78 4.37 Favored Glycine 0 CA--C 1.48 -2.138 0 C-N-CA 119.052 -1.547 . . . . 0.0 112.83 177.884 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 31' ' ' HIS . . . . . . . . . . . . . 6.8 t-80 -95.51 -6.05 41.44 Favored 'General case' 0 C--N 1.298 -1.632 0 N-CA-C 107.475 -1.306 . . . . 0.0 107.475 176.358 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 2.7 mm? -125.32 151.29 69.55 Favored Pre-proline 0 N--CA 1.438 -1.053 0 N-CA-C 107.247 -1.39 . . . . 0.0 107.247 176.927 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 33' ' ' PRO . . . . . . . . . . . . . 74.5 Cg_endo -74.02 -6.6 18.76 Favored 'Trans proline' 0 CA--C 1.538 0.712 0 C-N-CA 122.853 2.369 . . . . 0.0 112.0 177.625 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -97.37 -51.65 4.09 Favored 'General case' 0 C--N 1.322 -0.593 0 N-CA-C 112.427 0.529 . . . . 0.0 112.427 -178.938 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 33.9 p -90.43 19.33 5.31 Favored 'General case' 0 C--O 1.241 0.642 0 CA-C-O 121.786 0.803 . . . . 0.0 112.423 -172.717 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 36' ' ' ARG . . . . . 0.449 ' HB2' ' HB3' ' A' ' 28' ' ' TYR . 32.4 ptt180 -71.2 149.73 46.01 Favored 'General case' 0 C--N 1.31 -1.127 0 CA-C-N 115.063 -0.971 . . . . 0.0 110.234 -179.65 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 37' ' ' VAL . . . . . 0.553 ' O ' ' HA ' ' A' ' 28' ' ' TYR . 58.3 t -121.29 129.85 75.22 Favored 'Isoleucine or valine' 0 C--N 1.311 -1.067 0 N-CA-C 108.405 -0.961 . . . . 0.0 108.405 -174.886 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 3.4 tm? -69.01 114.61 7.46 Favored 'General case' 0 C--N 1.319 -0.724 0 N-CA-C 108.714 -0.847 . . . . 0.0 108.714 177.729 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 86.3 mt -90.81 -61.54 1.65 Allowed 'General case' 0 C--N 1.315 -0.892 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.806 179.092 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 40' ' ' MET . . . . . . . . . . . . . 22.9 ttp -164.83 155.11 13.98 Favored 'General case' 0 N--CA 1.441 -0.883 0 CA-C-N 116.192 -0.458 . . . . 0.0 109.803 -177.287 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 41' ' ' TYR . . . . . . . . . . . . . 87.7 m-85 -96.28 138.27 34.12 Favored 'General case' 0 C--N 1.318 -0.795 0 C-N-CA 123.533 0.733 . . . . 0.0 109.352 176.159 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 51.1 t -126.52 145.04 34.72 Favored 'Isoleucine or valine' 0 C--N 1.313 -1.007 0 N-CA-C 107.477 -1.305 . . . . 0.0 107.477 177.841 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 43' ' ' ARG . . . . . 0.409 ' HD3' ' OG ' ' A' ' 24' ' ' SER . 2.7 tpp180 -93.29 135.64 34.32 Favored 'General case' 0 C--N 1.301 -1.53 0 N-CA-C 107.041 -1.466 . . . . 0.0 107.041 -179.605 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 44' ' ' ILE . . . . . 0.461 HG12 ' C ' ' A' ' 23' ' ' ARG . 21.9 mm -59.94 120.38 5.66 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.107 0 CA-C-O 121.571 0.701 . . . . 0.0 110.031 179.134 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . 113.08 -17.34 22.21 Favored Glycine 0 C--N 1.297 -1.594 0 CA-C-N 114.817 -1.083 . . . . 0.0 110.425 177.021 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 46' ' ' ASN . . . . . . . . . . . . . 63.5 t30 -102.83 162.61 12.79 Favored 'General case' 0 C--N 1.303 -1.425 0 CA-C-O 121.672 0.749 . . . . 0.0 109.781 -176.272 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 17.8 p -101.53 154.72 18.59 Favored 'General case' 0 C--N 1.289 -2.048 0 CA-C-N 114.595 -1.184 . . . . 0.0 109.526 178.702 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -148.54 146.64 28.39 Favored 'General case' 0 C--N 1.295 -1.801 0 CA-C-N 115.499 -0.773 . . . . 0.0 111.509 177.619 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 7.1 m -108.23 110.51 22.15 Favored 'General case' 0 C--N 1.303 -1.424 0 N-CA-C 107.192 -1.41 . . . . 0.0 107.192 178.208 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 50' ' ' ILE . . . . . . . . . . . . . 17.7 mm -96.81 109.15 22.53 Favored 'Isoleucine or valine' 0 C--O 1.209 -1.072 0 N-CA-C 107.527 -1.286 . . . . 0.0 107.527 179.774 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 13.7 m -92.37 124.65 36.58 Favored 'General case' 0 C--N 1.287 -2.109 0 N-CA-C 106.832 -1.544 . . . . 0.0 106.832 174.389 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -148.96 121.87 8.76 Favored 'General case' 0 C--N 1.307 -1.266 0 N-CA-C 107.37 -1.344 . . . . 0.0 107.37 177.941 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 53' ' ' ARG . . . . . . . . . . . . . 74.8 mtt85 66.8 22.54 10.26 Favored 'General case' 0 C--N 1.327 -0.393 0 C-N-CA 124.748 1.219 . . . . 0.0 110.757 178.828 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . 83.8 9.08 83.45 Favored Glycine 0 C--N 1.312 -0.758 0 CA-C-N 114.95 -1.023 . . . . 0.0 112.336 -178.089 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 55' ' ' HIS . . . . . . . . . . . . . 87.4 m-70 -108.88 130.94 55.43 Favored 'General case' 0 C--N 1.319 -0.73 0 N-CA-C 107.382 -1.34 . . . . 0.0 107.382 177.859 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 9.4 mp0 -98.18 117.05 31.69 Favored 'General case' 0 N--CA 1.434 -1.26 0 N-CA-C 108.997 -0.742 . . . . 0.0 108.997 176.292 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 57' ' ' PHE . . . . . . . . . . . . . 84.7 m-85 -98.35 98.12 9.4 Favored 'General case' 0 N--CA 1.413 -2.304 0 N-CA-C 103.431 -2.803 . . . . 0.0 103.431 175.972 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 58' ' ' GLU . . . . . 0.401 ' HB3' HD22 ' A' ' 72' ' ' ASN . 28.5 tt0 -92.45 110.37 21.77 Favored 'General case' 0 C--N 1.299 -1.597 0 N-CA-C 105.819 -1.919 . . . . 0.0 105.819 -177.909 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 59' ' ' VAL . . . . . 0.424 HG12 HD13 ' A' ' 70' ' ' LEU . 35.4 m -109.77 167.97 4.21 Favored 'Isoleucine or valine' 0 C--N 1.293 -1.867 0 CA-C-N 114.348 -1.296 . . . . 0.0 109.862 -174.852 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 37.6 tt0 -132.25 124.0 28.06 Favored 'General case' 0 C--N 1.286 -2.152 0 N-CA-C 103.247 -2.871 . . . . 0.0 103.247 169.555 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -76.92 89.58 3.51 Favored 'General case' 0 C--N 1.304 -1.409 0 N-CA-C 107.036 -1.468 . . . . 0.0 107.036 177.515 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 29.7 mmmt -68.05 -54.88 15.05 Favored 'General case' 0 C--N 1.318 -0.788 0 CA-C-N 114.237 -1.347 . . . . 0.0 111.212 -174.644 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 28.2 t70 -135.66 161.15 36.35 Favored 'General case' 0 C--N 1.308 -1.227 0 CA-C-N 114.94 -1.027 . . . . 0.0 109.284 -173.643 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 64' ' ' GLN . . . . . . . . . . . . . 23.2 mt-30 -78.68 3.15 17.23 Favored 'General case' 0 N--CA 1.446 -0.639 0 N-CA-C 113.191 0.812 . . . . 0.0 113.191 -173.453 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 65' ' ' ASN . . . . . . . . . . . . . 5.6 m-20 -73.07 -23.8 60.6 Favored 'General case' 0 CA--C 1.515 -0.403 0 N-CA-C 108.306 -0.998 . . . . 0.0 108.306 170.196 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 66' ' ' CYS . . . . . 0.458 ' O ' ' HB1' ' A' ' 82' ' ' ALA . 88.9 m 64.79 35.24 8.81 Favored 'General case' 0 CA--C 1.513 -0.476 0 N-CA-C 114.727 1.38 . . . . 0.0 114.727 176.269 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 67' ' ' LYS . . . . . 0.472 ' HA ' ' HE3' ' A' ' 67' ' ' LYS . 0.1 OUTLIER -64.8 133.8 52.75 Favored 'General case' 0 N--CA 1.422 -1.867 0 N-CA-C 105.659 -1.978 . . . . 0.0 105.659 171.015 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 68' ' ' VAL . . . . . . . . . . . . . 5.9 p -72.34 99.74 0.95 Allowed 'Isoleucine or valine' 0 C--N 1.303 -1.431 0 CA-C-O 122.48 1.133 . . . . 0.0 110.605 -179.451 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 69' ' ' ILE . . . . . . . . . . . . . 99.0 mt -115.39 118.9 60.27 Favored 'Isoleucine or valine' 0 N--CA 1.43 -1.439 0 N-CA-C 106.882 -1.525 . . . . 0.0 106.882 -179.477 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 70' ' ' LEU . . . . . 0.484 HD21 ' HB3' ' A' ' 76' ' ' ALA . 2.8 mm? -81.88 140.75 33.92 Favored 'General case' 0 N--CA 1.416 -2.154 0 CA-C-N 114.574 -1.193 . . . . 0.0 109.48 -178.556 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 71' ' ' THR . . . . . . . . . . . . . 13.1 t -83.27 -2.9 56.76 Favored 'General case' 0 C--N 1.279 -2.484 0 CA-C-N 113.351 -1.75 . . . . 0.0 109.297 -175.531 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 72' ' ' ASN . . . . . 0.401 HD22 ' HB3' ' A' ' 58' ' ' GLU . 55.2 m-80 -90.37 -11.67 39.91 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 114.887 -1.051 . . . . 0.0 109.744 177.264 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 73' ' ' GLY . . . . . . . . . . . . . . . 91.89 31.14 9.51 Favored Glycine 0 CA--C 1.504 -0.639 0 N-CA-C 110.161 -1.176 . . . . 0.0 110.161 -179.336 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 71.7 mmtt -111.11 166.19 11.27 Favored 'General case' 0 N--CA 1.434 -1.255 0 CA-C-N 114.159 -1.021 . . . . 0.0 109.492 -177.252 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 75' ' ' GLN . . . . . . . . . . . . . 34.2 tt0 -112.35 137.14 50.92 Favored 'General case' 0 C--N 1.299 -1.594 0 N-CA-C 104.997 -2.223 . . . . 0.0 104.997 169.542 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 76' ' ' ALA . . . . . 0.484 ' HB3' HD21 ' A' ' 70' ' ' LEU . . . -93.89 163.42 23.94 Favored Pre-proline 0 C--N 1.307 -1.277 0 N-CA-C 109.935 -0.395 . . . . 0.0 109.935 -177.81 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 77' ' ' PRO . . . . . . . . . . . . . 8.9 Cg_endo -52.66 152.1 17.55 Favored 'Trans proline' 0 C--N 1.353 0.775 0 C-N-CA 123.578 2.852 . . . . 0.0 112.274 174.445 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 78' ' ' ASP . . . . . . . . . . . . . 22.0 t0 -70.12 -12.65 61.75 Favored 'General case' 0 C--N 1.309 -1.185 0 C-N-CA 124.646 1.178 . . . . 0.0 111.615 -174.589 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 79' ' ' TRP . . . . . . . . . . . . . 54.8 p-90 -91.63 -8.42 47.27 Favored 'General case' 0 C--O 1.227 -0.124 0 CA-C-N 115.951 -0.568 . . . . 0.0 111.346 177.396 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 80' ' ' LEU . . . . . 0.41 HD22 ' CB ' ' A' ' 76' ' ' ALA . 32.1 tp -88.81 111.44 22.03 Favored 'General case' 0 C--N 1.308 -1.205 0 N-CA-C 108.058 -1.089 . . . . 0.0 108.058 -178.932 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -117.07 164.25 15.03 Favored 'General case' 0 C--N 1.306 -1.305 0 CA-C-O 121.693 0.759 . . . . 0.0 111.318 -177.401 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 82' ' ' ALA . . . . . 0.544 ' HA ' ' O ' ' A' ' 26' ' ' VAL . . . -154.45 139.31 17.18 Favored 'General case' 0 C--N 1.298 -1.655 0 N-CA-C 106.671 -1.603 . . . . 0.0 106.671 174.883 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 7.7 pt-20 -140.92 154.14 68.19 Favored Pre-proline 0 C--N 1.301 -1.506 0 N-CA-C 106.197 -1.779 . . . . 0.0 106.197 178.404 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 84' ' ' PRO . . . . . 0.67 ' HA ' ' O ' ' A' ' 24' ' ' SER . 95.5 Cg_endo -69.94 139.36 39.41 Favored 'Trans proline' 0 N--CA 1.447 -1.215 0 C-N-CA 121.478 1.452 . . . . 0.0 109.626 175.858 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 85' ' ' TYR . . . . . . . . . . . . 0.262 0.7 OUTLIER . . . . . 0 C--N 1.318 -0.781 0 CA-C-O 117.958 -1.02 . . . . 0.0 113.594 -173.939 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 7.7 p . . . . . 0 C--O 1.236 0.391 0 N-CA-C 108.999 -0.741 . . . . 0.0 108.999 . . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . -123.23 143.16 14.95 Favored Glycine 0 N--CA 1.431 -1.641 0 N-CA-C 111.247 -0.741 . . . . 0.0 111.247 -178.708 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 21.9 mtm180 -118.69 159.64 23.27 Favored 'General case' 0 C--N 1.3 -1.554 0 N-CA-C 108.006 -1.109 . . . . 0.0 108.006 177.429 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 15.8 mp0 -57.11 121.51 10.21 Favored 'General case' 0 C--N 1.307 -1.243 0 O-C-N 124.356 1.035 . . . . 0.0 110.616 -178.016 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 11' ' ' ASN . . . . . . . . . . . . . 46.6 t-20 -78.95 175.9 10.13 Favored 'General case' 0 C--N 1.311 -1.074 0 N-CA-C 107.03 -1.47 . . . . 0.0 107.03 -179.226 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 83.4 mt -68.26 153.45 43.72 Favored 'General case' 0 C--N 1.303 -1.442 0 CA-C-O 122.142 0.972 . . . . 0.0 111.326 -179.963 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 13' ' ' TYR . . . . . . . . . . . . . 94.8 m-85 -81.83 169.97 16.24 Favored 'General case' 0 C--N 1.288 -2.086 0 CA-C-N 112.935 -1.939 . . . . 0.0 110.534 -174.824 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 14' ' ' PHE . . . . . . . . . . . . . 96.9 m-85 -82.19 123.84 29.36 Favored 'General case' 0 C--N 1.306 -1.318 0 CA-C-O 121.634 0.731 . . . . 0.0 110.466 -176.245 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 3.1 pm0 -88.36 -179.0 6.02 Favored 'General case' 0 C--N 1.305 -1.332 0 CA-C-N 114.244 -1.343 . . . . 0.0 107.715 -179.665 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . -58.4 122.97 31.69 Favored Glycine 0 N--CA 1.445 -0.734 0 N-CA-C 109.902 -1.279 . . . . 0.0 109.902 174.174 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 17' ' ' HIS . . . . . . . . . . . . . 52.7 t-80 -73.75 157.65 36.08 Favored 'General case' 0 C--N 1.309 -1.154 0 N-CA-C 108.825 -0.806 . . . . 0.0 108.825 -176.821 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 18' ' ' MET . . . . . . . . . . . . . 2.1 tmt? -60.65 130.44 46.53 Favored 'General case' 0 C--N 1.313 -0.982 0 C-N-CA 122.88 0.472 . . . . 0.0 109.914 177.33 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -54.87 135.91 47.54 Favored 'General case' 0 CA--C 1.513 -0.478 0 C-N-CA 124.82 1.248 . . . . 0.0 111.14 -177.018 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -53.51 130.78 54.15 Favored Pre-proline 0 C--N 1.314 -0.972 0 O-C-N 124.505 1.128 . . . . 0.0 112.682 -175.442 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 21' ' ' PRO . . . . . . . . . . . . . 35.3 Cg_exo -62.63 150.02 89.21 Favored 'Trans proline' 0 C--O 1.243 0.751 0 C-N-CA 122.848 2.366 . . . . 0.0 111.217 175.742 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -75.51 25.7 0.11 Allowed 'General case' 0 N--CA 1.47 0.559 0 N-CA-C 115.048 1.499 . . . . 0.0 115.048 -176.063 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 23' ' ' ARG . . . . . 0.406 ' C ' HG12 ' A' ' 44' ' ' ILE . 78.2 mtt180 53.12 32.9 13.93 Favored 'General case' 0 C--N 1.312 -1.055 0 CA-C-O 121.746 0.784 . . . . 0.0 112.117 -178.701 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 24' ' ' SER . . . . . 0.695 ' O ' ' HA ' ' A' ' 84' ' ' PRO . 20.0 m -145.23 139.16 26.97 Favored 'General case' 0 N--CA 1.438 -1.043 0 CA-C-N 115.608 -0.724 . . . . 0.0 109.297 -177.436 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 25' ' ' CYS . . . . . 0.634 ' SG ' HD12 ' A' ' 44' ' ' ILE . 69.4 m -107.3 130.81 54.72 Favored 'General case' 0 CA--C 1.492 -1.275 0 N-CA-C 104.068 -2.567 . . . . 0.0 104.068 173.435 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 26' ' ' VAL . . . . . 0.511 ' O ' ' HA ' ' A' ' 82' ' ' ALA . 2.9 t -114.47 121.49 66.69 Favored 'Isoleucine or valine' 0 C--N 1.282 -2.35 0 N-CA-C 106.483 -1.673 . . . . 0.0 106.483 -173.913 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 27' ' ' TYR . . . . . . . . . . . . . 14.9 m-85 -92.4 132.06 37.06 Favored 'General case' 0 C--N 1.302 -1.496 0 O-C-N 124.234 0.959 . . . . 0.0 110.67 -174.978 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 28' ' ' TYR . . . . . 0.513 ' HB3' ' HB2' ' A' ' 36' ' ' ARG . 97.8 m-85 -132.64 155.12 49.33 Favored 'General case' 0 N--CA 1.408 -2.539 0 CA-C-N 114.291 -1.322 . . . . 0.0 110.966 -177.708 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 4.8 t70 -104.08 103.24 13.02 Favored 'General case' 0 C--N 1.295 -1.804 0 N-CA-C 105.68 -1.971 . . . . 0.0 105.68 173.703 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . -171.32 129.79 1.84 Allowed Glycine 0 CA--C 1.492 -1.346 0 C-N-CA 119.779 -1.2 . . . . 0.0 113.705 178.062 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 31' ' ' HIS . . . . . . . . . . . . . 0.3 OUTLIER -81.39 -12.89 58.82 Favored 'General case' 0 C--N 1.296 -1.747 0 CA-C-N 114.151 -1.025 . . . . 0.0 110.745 178.705 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 10.6 mp -131.14 152.11 80.06 Favored Pre-proline 0 C--N 1.32 -0.678 0 N-CA-C 106.362 -1.718 . . . . 0.0 106.362 174.96 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 33' ' ' PRO . . . . . 0.459 ' O ' ' HG3' ' A' ' 36' ' ' ARG . 31.6 Cg_endo -67.32 -18.19 49.97 Favored 'Trans proline' 0 CA--C 1.532 0.393 0 C-N-CA 122.02 1.814 . . . . 0.0 110.585 175.497 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -74.87 -49.49 20.27 Favored 'General case' 0 N--CA 1.447 -0.618 0 CA-C-N 115.642 -0.708 . . . . 0.0 110.826 179.122 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 7.6 p -93.21 20.95 6.38 Favored 'General case' 0 C--N 1.315 -0.93 0 N-CA-C 113.607 0.965 . . . . 0.0 113.607 -172.805 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 36' ' ' ARG . . . . . 0.513 ' HB2' ' HB3' ' A' ' 28' ' ' TYR 0.287 1.3 ppt_? -72.91 133.04 44.21 Favored 'General case' 0 N--CA 1.44 -0.954 0 N-CA-C 113.503 0.927 . . . . 0.0 113.503 179.497 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 37' ' ' VAL . . . . . 0.427 ' O ' ' HA ' ' A' ' 28' ' ' TYR . 54.9 t -105.39 133.45 49.63 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.776 0 N-CA-C 108.111 -1.07 . . . . 0.0 108.111 -177.066 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 2.0 tm? -68.59 114.76 7.26 Favored 'General case' 0 C--N 1.315 -0.908 0 C-N-CA 123.404 0.682 . . . . 0.0 109.371 -178.005 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 96.1 mt -91.25 -59.99 2.01 Favored 'General case' 0 C--N 1.311 -1.099 0 CA-C-N 115.597 -0.729 . . . . 0.0 109.998 176.059 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 40' ' ' MET . . . . . . . . . . . . . 24.5 ptm -172.82 164.8 5.22 Favored 'General case' 0 N--CA 1.466 0.351 0 CA-C-N 115.368 -0.833 . . . . 0.0 111.506 -177.448 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 41' ' ' TYR . . . . . . . . . . . . . 39.2 m-85 -103.85 142.75 33.85 Favored 'General case' 0 C--N 1.309 -1.173 0 CA-C-N 114.781 -1.099 . . . . 0.0 110.161 177.957 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 33.3 t -128.75 130.11 68.62 Favored 'Isoleucine or valine' 0 C--N 1.307 -1.248 0 N-CA-C 106.387 -1.709 . . . . 0.0 106.387 174.439 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 23.2 tpp180 -74.37 134.27 42.47 Favored 'General case' 0 C--N 1.299 -1.606 0 N-CA-C 106.059 -1.83 . . . . 0.0 106.059 178.447 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 44' ' ' ILE . . . . . 0.634 HD12 ' SG ' ' A' ' 25' ' ' CYS . 14.8 mm -49.83 120.93 1.15 Allowed 'Isoleucine or valine' 0 N--CA 1.493 1.683 0 CA-C-O 121.091 0.472 . . . . 0.0 110.314 178.702 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . 113.42 -7.86 24.56 Favored Glycine 0 C--N 1.307 -1.067 0 CA-C-N 115.361 -0.836 . . . . 0.0 111.698 175.391 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 46' ' ' ASN . . . . . . . . . . . . . 59.6 t30 -110.93 163.49 13.76 Favored 'General case' 0 C--N 1.307 -1.241 0 CA-C-O 121.974 0.892 . . . . 0.0 111.822 -176.312 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 11.1 p -100.78 159.86 14.84 Favored 'General case' 0 C--N 1.294 -1.816 0 CA-C-N 114.398 -1.274 . . . . 0.0 109.246 177.953 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -155.91 151.82 27.52 Favored 'General case' 0 C--N 1.301 -1.524 0 CA-C-N 115.77 -0.65 . . . . 0.0 111.766 179.512 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 11.0 m -106.6 109.24 21.1 Favored 'General case' 0 C--N 1.304 -1.399 0 N-CA-C 106.988 -1.486 . . . . 0.0 106.988 175.429 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 50' ' ' ILE . . . . . 0.453 ' O ' ' HA ' ' A' ' 56' ' ' GLU . 12.2 mm -96.04 117.74 40.89 Favored 'Isoleucine or valine' 0 C--N 1.312 -1.034 0 N-CA-C 108.636 -0.876 . . . . 0.0 108.636 -174.359 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 33.0 m -97.12 123.62 40.93 Favored 'General case' 0 C--N 1.291 -1.978 0 N-CA-C 106.861 -1.533 . . . . 0.0 106.861 172.812 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -150.46 126.61 10.59 Favored 'General case' 0 C--N 1.31 -1.121 0 N-CA-C 108.769 -0.826 . . . . 0.0 108.769 179.502 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 53' ' ' ARG . . . . . . . . . . . . . 82.2 mtt180 59.06 30.62 20.47 Favored 'General case' 0 C--N 1.322 -0.587 0 C-N-CA 125.138 1.375 . . . . 0.0 112.035 178.205 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . 76.09 31.84 54.21 Favored Glycine 0 N--CA 1.437 -1.238 0 CA-C-N 114.82 -1.082 . . . . 0.0 111.792 -179.858 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 55' ' ' HIS . . . . . . . . . . . . . 67.2 m-70 -133.96 130.23 37.37 Favored 'General case' 0 C--N 1.314 -0.976 0 N-CA-C 108.738 -0.838 . . . . 0.0 108.738 174.225 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 56' ' ' GLU . . . . . 0.453 ' HA ' ' O ' ' A' ' 50' ' ' ILE . 3.4 mp0 -95.1 124.16 38.99 Favored 'General case' 0 N--CA 1.441 -0.882 0 N-CA-C 108.766 -0.828 . . . . 0.0 108.766 171.399 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 57' ' ' PHE . . . . . 0.446 ' HB3' HD11 ' A' ' 70' ' ' LEU . 93.4 m-85 -114.39 117.83 32.13 Favored 'General case' 0 N--CA 1.435 -1.196 0 N-CA-C 107.459 -1.311 . . . . 0.0 107.459 179.801 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 39.1 tt0 -95.16 121.26 36.61 Favored 'General case' 0 C--N 1.305 -1.366 0 N-CA-C 106.4 -1.704 . . . . 0.0 106.4 177.721 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 59' ' ' VAL . . . . . . . . . . . . . 18.9 m -122.66 171.2 11.95 Favored 'Isoleucine or valine' 0 C--N 1.294 -1.809 0 C-N-CA 124.424 1.09 . . . . 0.0 110.046 -175.085 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 39.4 tt0 -131.11 112.35 12.79 Favored 'General case' 0 C--N 1.292 -1.893 0 N-CA-C 105.674 -1.973 . . . . 0.0 105.674 175.543 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -79.33 89.3 4.95 Favored 'General case' 0 C--N 1.315 -0.902 0 N-CA-C 105.838 -1.912 . . . . 0.0 105.838 177.781 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 62' ' ' LYS . . . . . 0.439 ' HG3' ' N ' ' A' ' 63' ' ' ASP . 53.1 pttt -65.91 -55.77 15.2 Favored 'General case' 0 C--N 1.307 -1.275 0 N-CA-C 114.382 1.253 . . . . 0.0 114.382 -173.498 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 63' ' ' ASP . . . . . 0.439 ' N ' ' HG3' ' A' ' 62' ' ' LYS . 3.4 p30 -150.85 -179.7 7.5 Favored 'General case' 0 C--N 1.305 -1.339 0 N-CA-C 109.06 -0.718 . . . . 0.0 109.06 -173.184 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 64' ' ' GLN . . . . . . . . . . . . . 2.9 pp0? -63.43 -7.18 6.03 Favored 'General case' 0 C--N 1.318 -0.777 0 N-CA-C 116.142 1.904 . . . . 0.0 116.142 -177.074 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 65' ' ' ASN . . . . . . . . . . . . . 28.2 t-20 -74.05 -26.71 60.56 Favored 'General case' 0 C--N 1.321 -0.651 0 N-CA-C 108.153 -1.055 . . . . 0.0 108.153 172.052 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 66' ' ' CYS . . . . . 0.494 ' O ' ' HB2' ' A' ' 82' ' ' ALA . 93.3 m 52.63 41.95 31.42 Favored 'General case' 0 CA--C 1.519 -0.22 0 C-N-CA 124.78 1.232 . . . . 0.0 113.855 177.534 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 67' ' ' LYS . . . . . 0.539 ' HA ' ' HE3' ' A' ' 67' ' ' LYS . 0.0 OUTLIER -72.28 132.68 44.36 Favored 'General case' 0 N--CA 1.416 -2.17 0 N-CA-C 108.042 -1.096 . . . . 0.0 108.042 176.15 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 68' ' ' VAL . . . . . . . . . . . . . 3.3 p -69.36 99.68 0.56 Allowed 'Isoleucine or valine' 0 C--N 1.307 -1.263 0 CA-C-O 122.263 1.03 . . . . 0.0 109.541 177.163 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 69' ' ' ILE . . . . . . . . . . . . . 90.8 mt -117.34 119.35 61.55 Favored 'Isoleucine or valine' 0 C--N 1.302 -1.496 0 N-CA-C 107.286 -1.376 . . . . 0.0 107.286 178.076 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 70' ' ' LEU . . . . . 0.489 HD21 ' HB2' ' A' ' 76' ' ' ALA . 2.7 mm? -81.34 144.32 31.57 Favored 'General case' 0 CA--C 1.475 -1.922 0 CA-C-N 114.622 -1.172 . . . . 0.0 111.346 -177.678 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 71' ' ' THR . . . . . . . . . . . . . 69.2 p -72.53 -19.93 61.43 Favored 'General case' 0 C--N 1.285 -2.203 0 CA-C-N 112.358 -2.201 . . . . 0.0 109.305 179.221 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 72' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER -79.36 -5.54 54.8 Favored 'General case' 0 C--N 1.325 -0.5 0 CA-C-N 113.584 -1.644 . . . . 0.0 109.422 -175.803 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 73' ' ' GLY . . . . . . . . . . . . . . . 78.85 20.89 69.68 Favored Glycine 0 CA--C 1.501 -0.81 0 N-CA-C 108.769 -1.732 . . . . 0.0 108.769 178.25 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 44.2 mmtm -106.66 165.2 11.48 Favored 'General case' 0 N--CA 1.423 -1.782 0 CA-C-N 112.803 -1.699 . . . . 0.0 110.296 -174.688 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 75' ' ' GLN . . . . . . . . . . . . . 95.9 mt-30 -107.43 149.42 27.93 Favored 'General case' 0 C--N 1.295 -1.792 0 N-CA-C 107.025 -1.472 . . . . 0.0 107.025 172.841 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 76' ' ' ALA . . . . . 0.489 ' HB2' HD21 ' A' ' 70' ' ' LEU . . . -108.0 158.36 33.77 Favored Pre-proline 0 C--N 1.3 -1.55 0 N-CA-C 107.902 -1.147 . . . . 0.0 107.902 -179.052 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 77' ' ' PRO . . . . . . . . . . . . . 51.5 Cg_exo -56.82 154.03 34.14 Favored 'Trans proline' 0 C--N 1.346 0.425 0 C-N-CA 122.895 2.397 . . . . 0.0 112.874 177.123 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 78' ' ' ASP . . . . . . . . . . . . . 4.4 m-20 -57.64 -26.2 61.26 Favored 'General case' 0 N--CA 1.477 0.91 0 C-N-CA 124.279 1.031 . . . . 0.0 112.515 -176.679 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 79' ' ' TRP . . . . . . . . . . . . . 58.1 p-90 -76.25 -18.46 58.99 Favored 'General case' 0 N--CA 1.448 -0.526 0 CA-C-N 115.988 -0.551 . . . . 0.0 112.236 -179.79 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 36.8 tp -80.72 111.15 16.9 Favored 'General case' 0 N--CA 1.431 -1.408 0 N-CA-C 106.967 -1.494 . . . . 0.0 106.967 -179.447 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -119.83 161.19 21.22 Favored 'General case' 0 C--N 1.303 -1.449 0 CA-C-N 115.089 -0.959 . . . . 0.0 111.553 -174.312 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 82' ' ' ALA . . . . . 0.511 ' HA ' ' O ' ' A' ' 26' ' ' VAL . . . -150.97 134.01 15.95 Favored 'General case' 0 C--N 1.3 -1.555 0 N-CA-C 107.112 -1.44 . . . . 0.0 107.112 174.39 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 8.8 pt-20 -146.91 143.09 17.86 Favored Pre-proline 0 N--CA 1.425 -1.688 0 N-CA-C 105.734 -1.95 . . . . 0.0 105.734 179.61 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 84' ' ' PRO . . . . . 0.695 ' HA ' ' O ' ' A' ' 24' ' ' SER . 14.8 Cg_exo -64.73 143.4 80.46 Favored 'Trans proline' 0 N--CA 1.45 -1.06 0 C-N-CA 122.882 2.388 . . . . 0.0 111.57 175.676 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 85' ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 C--O 1.27 2.148 0 CA-C-N 112.891 -1.959 . . . . 0.0 106.152 175.979 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 14.7 m . . . . . 0 C--O 1.237 0.415 0 N-CA-C 107.546 -1.279 . . . . 0.0 107.546 . . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . -146.33 106.38 0.37 Allowed Glycine 0 N--CA 1.439 -1.133 0 C-N-CA 119.485 -1.341 . . . . 0.0 112.423 178.76 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -132.66 96.27 3.78 Favored 'General case' 0 C--N 1.304 -1.395 0 N-CA-C 105.098 -2.186 . . . . 0.0 105.098 173.297 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 13.5 pt-20 -95.18 107.84 19.94 Favored 'General case' 0 C--N 1.302 -1.479 0 CA-C-O 122.548 1.166 . . . . 0.0 110.929 -176.747 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 11' ' ' ASN . . . . . . . . . . . . . 9.7 m120 -99.63 -179.56 4.23 Favored 'General case' 0 C--N 1.304 -1.383 0 N-CA-C 105.215 -2.143 . . . . 0.0 105.215 179.391 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 2.1 pt? -67.9 122.83 19.0 Favored 'General case' 0 C--N 1.32 -0.705 0 N-CA-C 104.669 -2.345 . . . . 0.0 104.669 171.047 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 13' ' ' TYR . . . . . . . . . . . . . 2.8 t80 -92.8 129.05 38.85 Favored 'General case' 0 C--N 1.304 -1.399 0 C-N-CA 118.417 -1.313 . . . . 0.0 109.545 -172.318 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 14' ' ' PHE . . . . . . . . . . . . . 80.6 m-85 -87.99 160.14 18.01 Favored 'General case' 0 C--N 1.309 -1.177 0 CA-C-N 115.611 -0.722 . . . . 0.0 109.558 -178.724 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 76.3 mt-30 -80.67 115.76 20.34 Favored 'General case' 0 C--N 1.311 -1.082 0 N-CA-C 114.798 1.407 . . . . 0.0 114.798 -173.413 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . -150.48 173.72 30.02 Favored Glycine 0 N--CA 1.431 -1.65 0 N-CA-C 103.497 -3.841 . . . . 0.0 103.497 174.423 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 17' ' ' HIS . . . . . . . . . . . . . 90.5 m-70 -81.36 96.6 7.38 Favored 'General case' 0 C--N 1.304 -1.389 0 CA-C-N 120.6 2.2 . . . . 0.0 110.248 177.48 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 18' ' ' MET . . . . . . . . . . . . . 4.1 ppp? -113.32 -178.81 3.47 Favored 'General case' 0 C--N 1.297 -1.689 0 CA-C-N 113.314 -1.766 . . . . 0.0 111.084 -171.768 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 19' ' ' ALA . . . . . 0.465 ' HB1' ' HD2' ' A' ' 84' ' ' PRO . . . -69.77 89.79 0.57 Allowed 'General case' 0 C--N 1.314 -0.945 0 CA-C-N 115.549 -0.751 . . . . 0.0 109.522 177.727 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -77.07 122.2 85.94 Favored Pre-proline 0 C--N 1.318 -0.788 0 CA-C-N 115.825 -0.625 . . . . 0.0 111.849 -173.87 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 21' ' ' PRO . . . . . 0.412 ' HB3' ' OE1' ' A' ' 64' ' ' GLN . 64.2 Cg_exo -56.83 114.5 1.95 Allowed 'Trans proline' 0 C--N 1.349 0.588 0 C-N-CA 123.392 2.728 . . . . 0.0 111.535 178.144 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -137.41 20.16 2.93 Favored 'General case' 0 C--N 1.313 -1.002 0 CA-C-O 121.502 0.668 . . . . 0.0 111.841 -177.28 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 23' ' ' ARG . . . . . 0.51 ' O ' HG12 ' A' ' 44' ' ' ILE . 3.0 mtm180 61.95 23.24 13.65 Favored 'General case' 0 C--N 1.317 -0.808 0 N-CA-C 115.209 1.559 . . . . 0.0 115.209 177.988 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 24' ' ' SER . . . . . 0.755 ' O ' ' HA ' ' A' ' 84' ' ' PRO . 69.7 m -144.15 141.37 29.93 Favored 'General case' 0 C--N 1.303 -1.446 0 N-CA-C 107.466 -1.309 . . . . 0.0 107.466 174.562 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 25' ' ' CYS . . . . . . . . . . . . . 69.3 m -107.14 130.72 54.66 Favored 'General case' 0 CA--C 1.495 -1.173 0 N-CA-C 106.783 -1.562 . . . . 0.0 106.783 177.912 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 26' ' ' VAL . . . . . 0.593 ' O ' ' HA ' ' A' ' 82' ' ' ALA . 3.4 t -112.53 120.19 62.11 Favored 'Isoleucine or valine' 0 C--N 1.284 -2.258 0 N-CA-C 107.052 -1.462 . . . . 0.0 107.052 -175.524 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 27' ' ' TYR . . . . . . . . . . . . . 38.6 m-85 -93.17 125.68 37.89 Favored 'General case' 0 N--CA 1.423 -1.812 0 O-C-N 124.313 1.008 . . . . 0.0 108.833 -176.059 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 28' ' ' TYR . . . . . . . . . . . . . 81.6 m-85 -124.05 145.63 49.1 Favored 'General case' 0 N--CA 1.416 -2.155 0 CA-C-N 113.836 -1.529 . . . . 0.0 110.07 -176.115 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 29' ' ' ASP . . . . . 0.412 ' HB3' ' HB ' ' A' ' 37' ' ' VAL . 5.0 t70 -87.51 105.63 17.44 Favored 'General case' 0 C--N 1.292 -1.91 0 N-CA-C 103.708 -2.701 . . . . 0.0 103.708 170.697 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . -164.31 140.74 6.63 Favored Glycine 0 N--CA 1.43 -1.719 0 C-N-CA 118.79 -1.671 . . . . 0.0 113.54 -178.151 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 31' ' ' HIS . . . . . . . . . . . . . 81.5 m-70 -90.4 -40.1 12.26 Favored 'General case' 0 C--N 1.296 -1.751 0 N-CA-C 106.598 -1.63 . . . . 0.0 106.598 178.562 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 2.9 mm? -124.61 157.67 64.77 Favored Pre-proline 0 N--CA 1.44 -0.935 0 N-CA-C 107.072 -1.455 . . . . 0.0 107.072 175.689 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 33' ' ' PRO . . . . . 0.427 ' O ' ' HG2' ' A' ' 36' ' ' ARG . 8.2 Cg_endo -56.38 -24.05 49.94 Favored 'Trans proline' 0 CA--C 1.538 0.694 0 C-N-CA 122.632 2.221 . . . . 0.0 112.566 174.899 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -78.84 -17.86 54.96 Favored 'General case' 0 C--N 1.327 -0.384 0 O-C-N 121.679 -0.638 . . . . 0.0 111.976 177.247 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 74.1 p -103.53 5.7 36.91 Favored 'General case' 0 C--N 1.322 -0.601 0 O-C-N 122.122 -0.361 . . . . 0.0 111.659 -175.6 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 36' ' ' ARG . . . . . 0.427 ' HG2' ' O ' ' A' ' 33' ' ' PRO . 36.1 ptt180 -61.91 125.37 23.59 Favored 'General case' 0 C--N 1.33 -0.28 0 N-CA-C 112.628 0.603 . . . . 0.0 112.628 -175.814 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 37' ' ' VAL . . . . . 0.412 ' HB ' ' HB3' ' A' ' 29' ' ' ASP . 47.8 t -115.44 122.54 69.53 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.841 0 N-CA-C 106.914 -1.513 . . . . 0.0 106.914 175.325 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 56.3 tp -60.29 116.48 4.28 Favored 'General case' 0 C--N 1.317 -0.844 0 N-CA-C 113.604 0.964 . . . . 0.0 113.604 -179.066 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 88.4 mt -92.95 -54.61 3.67 Favored 'General case' 0 C--N 1.304 -1.404 0 CA-C-N 114.726 -1.125 . . . . 0.0 110.66 174.44 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 40' ' ' MET . . . . . . . . . . . . . 51.0 tpp -165.69 148.9 7.78 Favored 'General case' 0 C--N 1.326 -0.442 0 CA-C-N 115.252 -0.885 . . . . 0.0 111.34 -171.294 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 41' ' ' TYR . . . . . . . . . . . . . 82.5 m-85 -101.24 124.56 47.13 Favored 'General case' 0 C--N 1.323 -0.557 0 N-CA-C 107.778 -1.193 . . . . 0.0 107.778 172.571 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 46.2 t -117.08 137.86 49.6 Favored 'Isoleucine or valine' 0 C--N 1.312 -1.057 0 N-CA-C 107.772 -1.196 . . . . 0.0 107.772 179.728 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 31.1 tpt180 -88.79 140.45 29.43 Favored 'General case' 0 C--N 1.293 -1.885 0 N-CA-C 106.785 -1.561 . . . . 0.0 106.785 178.755 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 44' ' ' ILE . . . . . 0.51 HG12 ' O ' ' A' ' 23' ' ' ARG . 30.7 mm -57.4 129.72 19.53 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.823 0 CA-C-O 121.626 0.727 . . . . 0.0 109.74 179.241 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . 104.83 -14.4 49.4 Favored Glycine 0 C--N 1.3 -1.456 0 CA-C-N 114.543 -1.208 . . . . 0.0 111.309 174.901 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 46' ' ' ASN . . . . . . . . . . . . . 48.5 t30 -105.93 162.87 13.2 Favored 'General case' 0 C--N 1.305 -1.333 0 CA-C-O 121.645 0.736 . . . . 0.0 110.0 -177.242 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 21.8 p -110.32 151.77 27.01 Favored 'General case' 0 C--N 1.291 -1.942 0 CA-C-N 114.33 -1.305 . . . . 0.0 109.577 177.952 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -152.04 131.6 13.05 Favored 'General case' 0 C--N 1.303 -1.422 0 N-CA-C 114.854 1.427 . . . . 0.0 114.854 -177.691 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 2.8 m -70.16 108.73 4.26 Favored 'General case' 0 C--N 1.312 -1.041 0 C-N-CA 125.347 1.459 . . . . 0.0 109.762 174.527 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 50' ' ' ILE . . . . . . . . . . . . . 26.6 mm -100.54 109.25 24.76 Favored 'Isoleucine or valine' 0 C--N 1.31 -1.109 0 N-CA-C 107.956 -1.127 . . . . 0.0 107.956 177.371 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 76.1 m -91.82 123.36 35.15 Favored 'General case' 0 C--N 1.294 -1.814 0 C-N-CA 117.964 -1.494 . . . . 0.0 107.506 174.261 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -150.92 125.86 9.79 Favored 'General case' 0 C--N 1.315 -0.9 0 N-CA-C 107.98 -1.118 . . . . 0.0 107.98 176.963 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 53' ' ' ARG . . . . . . . . . . . . . 83.8 mtt180 65.83 21.7 11.46 Favored 'General case' 0 N--CA 1.472 0.659 0 C-N-CA 125.057 1.343 . . . . 0.0 110.743 179.365 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . 84.05 13.72 73.84 Favored Glycine 0 C--N 1.308 -0.986 0 CA-C-N 114.723 -1.126 . . . . 0.0 111.813 -178.321 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 55' ' ' HIS . . . . . . . . . . . . . 40.1 m-70 -115.27 126.85 55.0 Favored 'General case' 0 C--N 1.311 -1.073 0 N-CA-C 109.406 -0.59 . . . . 0.0 109.406 178.561 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 17.2 mp0 -85.59 116.89 24.14 Favored 'General case' 0 N--CA 1.435 -1.224 0 N-CA-C 108.952 -0.759 . . . . 0.0 108.952 171.159 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 57' ' ' PHE . . . . . . . . . . . . . 86.1 m-85 -105.63 100.48 10.05 Favored 'General case' 0 N--CA 1.415 -2.181 0 N-CA-C 104.107 -2.553 . . . . 0.0 104.107 174.249 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 16.9 tp10 -78.97 110.44 14.2 Favored 'General case' 0 C--N 1.303 -1.456 0 N-CA-C 103.966 -2.605 . . . . 0.0 103.966 178.245 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 59' ' ' VAL . . . . . 0.539 ' HA ' ' HA ' ' A' ' 70' ' ' LEU . 19.3 m -99.01 162.24 2.93 Favored 'Isoleucine or valine' 0 C--N 1.298 -1.665 0 CA-C-N 115.988 -0.551 . . . . 0.0 110.68 -176.105 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 38.1 tt0 -131.13 102.19 5.9 Favored 'General case' 0 N--CA 1.421 -1.919 0 N-CA-C 106.504 -1.665 . . . . 0.0 106.504 178.611 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -77.13 89.62 3.63 Favored 'General case' 0 C--N 1.318 -0.794 0 CA-C-N 115.234 -0.894 . . . . 0.0 109.612 -178.53 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 33.6 mmtp -64.56 -58.48 6.25 Favored 'General case' 0 C--N 1.321 -0.646 0 CA-C-N 114.182 -1.372 . . . . 0.0 113.237 -178.58 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 7.4 t0 -138.54 167.91 20.91 Favored 'General case' 0 C--N 1.309 -1.175 0 N-CA-C 108.655 -0.869 . . . . 0.0 108.655 -175.386 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 64' ' ' GLN . . . . . 0.412 ' OE1' ' HB3' ' A' ' 21' ' ' PRO . 11.7 pt20 -75.73 5.01 6.79 Favored 'General case' 0 C--N 1.32 -0.684 0 C-N-CA 125.391 1.476 . . . . 0.0 113.069 -174.305 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 65' ' ' ASN . . . . . . . . . . . . . 18.7 m120 -79.81 -16.56 55.26 Favored 'General case' 0 C--N 1.324 -0.515 0 N-CA-C 108.055 -1.091 . . . . 0.0 108.055 174.753 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 66' ' ' CYS . . . . . . . . . . . . . 71.5 m 59.3 55.13 4.4 Favored 'General case' 0 N--CA 1.443 -0.818 0 N-CA-C 116.539 2.052 . . . . 0.0 116.539 174.208 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 4.8 mptp? -76.85 157.4 31.49 Favored 'General case' 0 CA--C 1.49 -1.347 0 N-CA-C 108.734 -0.839 . . . . 0.0 108.734 170.038 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 68' ' ' VAL . . . . . . . . . . . . . 7.2 p -89.35 98.94 8.61 Favored 'Isoleucine or valine' 0 C--N 1.284 -2.274 0 CA-C-O 123.103 1.43 . . . . 0.0 108.194 176.604 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 69' ' ' ILE . . . . . . . . . . . . . 86.7 mt -120.74 120.52 62.73 Favored 'Isoleucine or valine' 0 C--N 1.296 -1.734 0 N-CA-C 105.43 -2.063 . . . . 0.0 105.43 -177.089 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 70' ' ' LEU . . . . . 0.539 ' HA ' ' HA ' ' A' ' 59' ' ' VAL . 2.4 mm? -86.01 160.11 19.42 Favored 'General case' 0 N--CA 1.412 -2.346 0 C-N-CA 119.053 -1.059 . . . . 0.0 109.106 -179.701 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 71' ' ' THR . . . . . . . . . . . . . 22.7 p -58.48 -34.73 71.21 Favored 'General case' 0 C--N 1.29 -2.011 0 O-C-N 124.394 1.059 . . . . 0.0 112.568 178.353 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 72' ' ' ASN . . . . . 0.481 ' ND2' ' HG3' ' A' ' 74' ' ' LYS . 35.9 p-10 -84.03 -7.12 59.48 Favored 'General case' 0 C--N 1.307 -1.256 0 CA-C-O 122.341 1.067 . . . . 0.0 109.344 -176.778 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 73' ' ' GLY . . . . . . . . . . . . . . . 87.31 17.45 58.91 Favored Glycine 0 CA--C 1.487 -1.69 0 CA-C-N 113.876 -1.511 . . . . 0.0 111.726 170.256 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 74' ' ' LYS . . . . . 0.481 ' HG3' ' ND2' ' A' ' 72' ' ' ASN . 73.2 mmtt -89.7 179.26 6.06 Favored 'General case' 0 C--N 1.298 -1.639 0 N-CA-C 114.088 1.144 . . . . 0.0 114.088 -175.984 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 75' ' ' GLN . . . . . . . . . . . . . 48.3 mt-30 -93.32 141.26 28.64 Favored 'General case' 0 C--N 1.305 -1.354 0 CA-C-N 113.162 -1.836 . . . . 0.0 109.396 175.471 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 76' ' ' ALA . . . . . 0.498 ' HB2' HD23 ' A' ' 70' ' ' LEU . . . -108.03 161.5 23.12 Favored Pre-proline 0 C--N 1.296 -1.748 0 N-CA-C 107.784 -1.191 . . . . 0.0 107.784 178.015 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 77' ' ' PRO . . . . . . . . . . . . . 9.6 Cg_endo -53.96 153.77 19.39 Favored 'Trans proline' 0 C--N 1.348 0.508 0 C-N-CA 123.573 2.849 . . . . 0.0 112.423 175.655 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 78' ' ' ASP . . . . . . . . . . . . . 32.4 t70 -62.01 -27.19 68.69 Favored 'General case' 0 C--N 1.315 -0.911 0 CA-C-N 115.146 -0.933 . . . . 0.0 111.891 -177.469 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 79' ' ' TRP . . . . . . . . . . . . . 60.5 p-90 -79.82 -10.46 59.78 Favored 'General case' 0 C--N 1.321 -0.651 0 N-CA-C 112.385 0.513 . . . . 0.0 112.385 -179.248 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 25.2 tp -84.74 97.96 9.98 Favored 'General case' 0 N--CA 1.433 -1.281 0 N-CA-C 108.484 -0.932 . . . . 0.0 108.484 -178.382 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -97.36 163.62 12.81 Favored 'General case' 0 C--N 1.311 -1.099 0 CA-C-N 114.691 -1.141 . . . . 0.0 110.616 -176.336 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 82' ' ' ALA . . . . . 0.593 ' HA ' ' O ' ' A' ' 26' ' ' VAL . . . -156.11 134.76 11.73 Favored 'General case' 0 C--N 1.301 -1.532 0 CA-C-N 114.147 -1.388 . . . . 0.0 108.125 177.449 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 10.1 pt-20 -146.67 147.63 30.84 Favored Pre-proline 0 C--N 1.307 -1.275 0 N-CA-C 106.188 -1.782 . . . . 0.0 106.188 176.859 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 84' ' ' PRO . . . . . 0.755 ' HA ' ' O ' ' A' ' 24' ' ' SER . 60.8 Cg_endo -65.14 131.35 28.29 Favored 'Trans proline' 0 N--CA 1.449 -1.11 0 C-N-CA 121.166 1.244 . . . . 0.0 110.957 173.209 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 85' ' ' TYR . . . . . 0.484 ' CD1' ' HB2' ' A' ' 24' ' ' SER 0.263 0.6 OUTLIER . . . . . 0 C--O 1.242 0.692 0 N-CA-C 115.766 1.765 . . . . 0.0 115.766 -171.089 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 8.6 t . . . . . 0 C--O 1.236 0.389 0 N-CA-C 106.537 -1.653 . . . . 0.0 106.537 . . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . -140.68 -179.87 18.56 Favored Glycine 0 N--CA 1.436 -1.35 0 C-N-CA 120.493 -0.86 . . . . 0.0 111.013 -177.183 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 37.1 mmt180 -90.84 96.87 10.85 Favored 'General case' 0 C--N 1.308 -1.198 0 CA-C-O 121.179 0.514 . . . . 0.0 111.537 -179.379 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 4.9 tp10 -90.34 92.5 8.93 Favored 'General case' 0 C--N 1.303 -1.414 0 N-CA-C 107.258 -1.386 . . . . 0.0 107.258 172.233 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 11' ' ' ASN . . . . . . . . . . . . . 36.8 m-80 -122.68 91.14 3.43 Favored 'General case' 0 C--N 1.304 -1.377 0 CA-C-O 121.954 0.883 . . . . 0.0 111.195 178.882 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 4.4 pp -150.98 158.18 43.82 Favored 'General case' 0 C--N 1.294 -1.818 0 N-CA-C 103.397 -2.816 . . . . 0.0 103.397 172.567 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 13' ' ' TYR . . . . . . . . . . . . . 50.9 t80 -110.37 111.48 22.79 Favored 'General case' 0 C--N 1.28 -2.417 0 C-N-CA 118.517 -1.273 . . . . 0.0 109.484 -178.5 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 14' ' ' PHE . . . . . . . . . . . . . 78.9 t80 -87.79 161.77 17.38 Favored 'General case' 0 C--N 1.306 -1.285 0 N-CA-C 106.662 -1.607 . . . . 0.0 106.662 179.349 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 61.8 tp60 -67.78 106.46 2.26 Favored 'General case' 0 N--CA 1.443 -0.813 0 CA-C-O 121.02 0.438 . . . . 0.0 110.552 179.71 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . -81.02 152.75 33.34 Favored Glycine 0 N--CA 1.435 -1.419 0 N-CA-C 108.99 -1.644 . . . . 0.0 108.99 176.071 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 17' ' ' HIS . . . . . . . . . . . . . 2.7 p80 -86.55 141.14 29.25 Favored 'General case' 0 C--N 1.308 -1.217 0 C-N-CA 120.352 -0.539 . . . . 0.0 109.696 -177.991 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 18' ' ' MET . . . . . . . . . . . . . 25.0 ttt -86.55 125.15 33.58 Favored 'General case' 0 N--CA 1.437 -1.091 0 N-CA-C 104.168 -2.53 . . . . 0.0 104.168 174.518 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -71.89 108.34 5.11 Favored 'General case' 0 C--N 1.304 -1.397 0 N-CA-C 115.342 1.608 . . . . 0.0 115.342 -169.914 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -84.9 131.96 47.43 Favored Pre-proline 0 N--CA 1.436 -1.171 0 N-CA-C 100.274 -3.972 . . . . 0.0 100.274 164.616 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 21' ' ' PRO . . . . . . . . . . . . . 30.5 Cg_exo -10.26 89.51 0.0 OUTLIER 'Trans proline' 0 C--N 1.357 1.016 1 C-N-CA 126.464 4.776 . . . . 0.0 116.033 -170.033 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 22' ' ' ALA . . . . . 0.507 ' H ' ' HB2' ' A' ' 84' ' ' PRO . . . -73.26 26.52 0.06 Allowed 'General case' 0 N--CA 1.473 0.687 0 N-CA-C 115.649 1.722 . . . . 0.0 115.649 -172.285 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 92.6 mtt180 57.98 22.1 8.47 Favored 'General case' 0 C--N 1.313 -0.983 0 N-CA-C 114.786 1.402 . . . . 0.0 114.786 172.659 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 24' ' ' SER . . . . . 0.739 ' O ' ' HA ' ' A' ' 84' ' ' PRO . 67.7 m -155.64 143.22 19.57 Favored 'General case' 0 C--N 1.312 -1.062 0 N-CA-C 107.696 -1.224 . . . . 0.0 107.696 175.716 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 25' ' ' CYS . . . . . . . . . . . . . 91.7 m -108.12 130.7 55.09 Favored 'General case' 0 N--CA 1.435 -1.187 0 N-CA-C 105.706 -1.961 . . . . 0.0 105.706 178.316 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 26' ' ' VAL . . . . . 0.604 ' O ' ' HA ' ' A' ' 82' ' ' ALA . 4.2 t -118.49 121.44 67.08 Favored 'Isoleucine or valine' 0 C--N 1.29 -2.003 0 N-CA-C 107.99 -1.115 . . . . 0.0 107.99 -171.624 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 27' ' ' TYR . . . . . . . . . . . . . 78.4 m-85 -87.56 129.8 34.97 Favored 'General case' 0 C--N 1.293 -1.872 0 O-C-N 124.797 1.311 . . . . 0.0 110.185 -173.959 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 28' ' ' TYR . . . . . 0.469 ' HA ' ' O ' ' A' ' 37' ' ' VAL . 96.8 m-85 -127.38 138.68 53.07 Favored 'General case' 0 N--CA 1.417 -2.105 0 CA-C-N 114.57 -1.196 . . . . 0.0 109.392 179.748 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 29' ' ' ASP . . . . . 0.489 ' HB3' ' HB ' ' A' ' 37' ' ' VAL . 5.7 t0 -86.62 102.31 14.05 Favored 'General case' 0 C--N 1.296 -1.748 0 N-CA-C 105.184 -2.154 . . . . 0.0 105.184 170.925 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . -160.0 127.58 1.83 Allowed Glycine 0 N--CA 1.415 -2.738 0 C-N-CA 118.788 -1.672 . . . . 0.0 113.75 -177.739 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 31' ' ' HIS . . . . . . . . . . . . . 5.3 t-80 -91.16 -30.21 16.82 Favored 'General case' 0 C--N 1.279 -2.49 0 N-CA-C 104.6 -2.37 . . . . 0.0 104.6 177.161 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 35.7 tp -132.01 132.38 23.1 Favored Pre-proline 0 N--CA 1.441 -0.895 0 N-CA-C 105.625 -1.991 . . . . 0.0 105.625 176.324 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 33' ' ' PRO . . . . . . . . . . . . . 21.3 Cg_endo -62.94 -16.13 52.06 Favored 'Trans proline' 0 C--N 1.35 0.645 0 C-N-CA 122.756 2.304 . . . . 0.0 113.793 -178.015 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -72.23 -38.83 68.87 Favored 'General case' 0 C--N 1.316 -0.855 0 O-C-N 121.756 -0.59 . . . . 0.0 111.713 178.192 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 10.0 t -110.56 20.91 17.2 Favored 'General case' 0 C--N 1.318 -0.766 0 CA-C-O 121.386 0.613 . . . . 0.0 110.612 -175.018 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 38.0 ptt180 -59.5 153.2 20.04 Favored 'General case' 0 C--O 1.242 0.686 0 CA-C-N 115.215 -0.902 . . . . 0.0 110.585 177.47 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 37' ' ' VAL . . . . . 0.489 ' HB ' ' HB3' ' A' ' 29' ' ' ASP . 56.1 t -120.37 128.85 76.03 Favored 'Isoleucine or valine' 0 C--N 1.316 -0.853 0 N-CA-C 107.696 -1.224 . . . . 0.0 107.696 -178.797 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 38' ' ' LEU . . . . . 0.406 HD22 ' CE2' ' A' ' 41' ' ' TYR . 3.4 tm? -69.37 112.51 5.96 Favored 'General case' 0 C--N 1.311 -1.092 0 N-CA-C 108.282 -1.007 . . . . 0.0 108.282 -179.39 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 86.9 mt -90.77 -61.83 1.59 Allowed 'General case' 0 N--CA 1.44 -0.926 0 C-N-CA 119.737 -0.785 . . . . 0.0 109.54 178.025 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 40' ' ' MET . . . . . . . . . . . . . 36.5 ttp -168.48 148.4 4.56 Favored 'General case' 0 N--CA 1.443 -0.818 0 N-CA-C 112.006 0.372 . . . . 0.0 112.006 -178.12 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 41' ' ' TYR . . . . . 0.487 ' CE1' ' HB2' ' A' ' 85' ' ' TYR . 8.6 m-85 -89.26 132.99 34.64 Favored 'General case' 0 C--N 1.328 -0.361 0 C-N-CA 124.731 1.212 . . . . 0.0 108.705 174.784 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 59.4 t -129.48 127.37 64.8 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.695 0 N-CA-C 109.913 -0.403 . . . . 0.0 109.913 177.562 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 13.2 mmm180 -62.26 148.63 44.3 Favored 'General case' 0 CA--C 1.498 -1.031 0 CA-C-O 121.679 0.752 . . . . 0.0 112.863 175.237 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 24.8 mm -68.72 121.46 18.07 Favored 'Isoleucine or valine' 0 C--N 1.305 -1.361 0 N-CA-C 106.788 -1.56 . . . . 0.0 106.788 173.489 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . 99.29 15.65 32.09 Favored Glycine 0 C--N 1.289 -2.032 0 N-CA-C 110.792 -0.923 . . . . 0.0 110.792 -178.343 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 46' ' ' ASN . . . . . . . . . . . . . 41.6 t-20 -127.42 154.16 45.38 Favored 'General case' 0 C--N 1.304 -1.377 0 CA-C-O 121.667 0.746 . . . . 0.0 109.13 -177.434 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 12.5 p -117.83 145.37 44.62 Favored 'General case' 0 C--N 1.286 -2.175 0 CA-C-N 114.346 -1.297 . . . . 0.0 110.0 -177.863 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 48' ' ' ALA . . . . . 0.406 ' O ' ' HA ' ' A' ' 58' ' ' GLU . . . -148.67 161.14 42.33 Favored 'General case' 0 C--N 1.292 -1.929 0 C-N-CA 120.186 -0.606 . . . . 0.0 111.941 -175.779 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 32.1 m -117.07 115.23 24.99 Favored 'General case' 0 C--N 1.3 -1.575 0 N-CA-C 107.806 -1.183 . . . . 0.0 107.806 177.599 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 50' ' ' ILE . . . . . . . . . . . . . 5.1 mm -104.38 110.89 31.91 Favored 'Isoleucine or valine' 0 C--N 1.312 -1.032 0 N-CA-C 107.876 -1.157 . . . . 0.0 107.876 -177.781 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 29.9 m -89.39 123.6 33.69 Favored 'General case' 0 C--N 1.294 -1.811 0 C-N-CA 117.7 -1.6 . . . . 0.0 107.713 174.223 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -149.5 121.93 8.49 Favored 'General case' 0 C--N 1.311 -1.079 0 N-CA-C 107.785 -1.191 . . . . 0.0 107.785 179.339 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 53' ' ' ARG . . . . . . . . . . . . . 78.9 mtt85 64.39 20.94 12.35 Favored 'General case' 0 C--N 1.32 -0.694 0 C-N-CA 124.435 1.094 . . . . 0.0 112.418 -179.179 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . 83.76 13.0 76.4 Favored Glycine 0 N--CA 1.44 -1.035 0 CA-C-N 114.561 -1.2 . . . . 0.0 111.766 -179.464 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 55' ' ' HIS . . . . . . . . . . . . . 43.0 m-70 -109.24 127.31 54.15 Favored 'General case' 0 C--N 1.309 -1.154 0 N-CA-C 105.491 -2.04 . . . . 0.0 105.491 175.118 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 5.8 mp0 -94.91 118.8 32.39 Favored 'General case' 0 N--CA 1.429 -1.51 0 N-CA-C 107.212 -1.403 . . . . 0.0 107.212 174.35 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 57' ' ' PHE . . . . . . . . . . . . . 88.8 m-85 -101.88 106.19 17.11 Favored 'General case' 0 N--CA 1.424 -1.769 0 N-CA-C 107.167 -1.419 . . . . 0.0 107.167 179.064 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 58' ' ' GLU . . . . . 0.406 ' HA ' ' O ' ' A' ' 48' ' ' ALA . 40.4 tt0 -90.19 110.04 21.09 Favored 'General case' 0 N--CA 1.417 -2.114 0 N-CA-C 104.909 -2.256 . . . . 0.0 104.909 178.495 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 59' ' ' VAL . . . . . 0.507 ' HA ' ' HA ' ' A' ' 70' ' ' LEU . 30.0 m -110.77 159.4 10.71 Favored 'Isoleucine or valine' 0 C--N 1.294 -1.822 0 CA-C-N 114.593 -1.185 . . . . 0.0 111.382 -173.436 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 40.3 tt0 -130.87 103.21 6.43 Favored 'General case' 0 N--CA 1.42 -1.959 0 N-CA-C 105.856 -1.905 . . . . 0.0 105.856 177.305 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -77.79 88.07 4.02 Favored 'General case' 0 C--N 1.316 -0.888 0 N-CA-C 106.958 -1.497 . . . . 0.0 106.958 178.178 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 24.2 ttpp -87.74 -33.98 18.51 Favored 'General case' 0 N--CA 1.42 -1.968 0 CA-C-N 115.046 -0.979 . . . . 0.0 112.079 -174.852 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 9.2 m-20 -132.99 149.68 52.22 Favored 'General case' 0 C--N 1.307 -1.269 0 CA-C-N 115.694 -0.685 . . . . 0.0 109.482 -177.314 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 64' ' ' GLN . . . . . . . . . . . . . 16.0 pm0 -75.43 8.63 2.66 Favored 'General case' 0 C--N 1.317 -0.835 0 C-N-CA 124.995 1.318 . . . . 0.0 111.571 179.346 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 65' ' ' ASN . . . . . . . . . . . . . 21.0 t30 -66.82 -30.8 71.08 Favored 'General case' 0 C--N 1.323 -0.564 0 N-CA-C 106.508 -1.664 . . . . 0.0 106.508 170.42 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 66' ' ' CYS . . . . . 0.537 ' O ' ' HB1' ' A' ' 82' ' ' ALA . 71.3 m 59.38 32.61 21.95 Favored 'General case' 0 N--CA 1.445 -0.699 0 CA-C-N 113.943 -1.48 . . . . 0.0 114.334 176.524 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 67' ' ' LYS . . . . . 0.496 ' HA ' ' HE3' ' A' ' 67' ' ' LYS . 0.0 OUTLIER -74.94 137.94 41.99 Favored 'General case' 0 N--CA 1.399 -2.987 0 N-CA-C 103.766 -2.679 . . . . 0.0 103.766 167.367 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 68' ' ' VAL . . . . . . . . . . . . . 3.3 p -64.66 101.92 0.34 Allowed 'Isoleucine or valine' 0 C--N 1.299 -1.605 0 CA-C-O 122.282 1.039 . . . . 0.0 109.989 178.015 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 69' ' ' ILE . . . . . . . . . . . . . 96.9 mt -106.9 123.08 61.73 Favored 'Isoleucine or valine' 0 C--N 1.309 -1.194 0 CA-C-N 114.353 -1.294 . . . . 0.0 107.683 -177.336 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 70' ' ' LEU . . . . . 0.507 ' HA ' ' HA ' ' A' ' 59' ' ' VAL . 2.8 mm? -90.58 151.98 21.09 Favored 'General case' 0 N--CA 1.413 -2.31 0 CA-C-O 121.925 0.869 . . . . 0.0 109.805 -178.224 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 71' ' ' THR . . . . . . . . . . . . . 45.0 p -67.45 -33.04 74.32 Favored 'General case' 0 C--N 1.288 -2.069 0 CA-C-N 113.411 -1.722 . . . . 0.0 110.889 179.269 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 72' ' ' ASN . . . . . 0.537 ' OD1' ' HG3' ' A' ' 74' ' ' LYS . 4.3 p30 -99.4 -13.83 19.4 Favored 'General case' 0 C--N 1.3 -1.581 0 CA-C-N 113.172 -1.831 . . . . 0.0 109.737 -173.625 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 73' ' ' GLY . . . . . . . . . . . . . . . 90.13 21.26 39.31 Favored Glycine 0 N--CA 1.43 -1.711 0 C-N-CA 119.781 -1.2 . . . . 0.0 113.716 174.299 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 74' ' ' LYS . . . . . 0.537 ' HG3' ' OD1' ' A' ' 72' ' ' ASN . 58.6 mttm -62.69 162.93 9.93 Favored 'General case' 0 N--CA 1.434 -1.241 0 CA-C-O 122.52 1.152 . . . . 0.0 112.623 172.799 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 75' ' ' GLN . . . . . . . . . . . . . 5.9 tp-100 -89.19 108.05 19.39 Favored 'General case' 0 C--N 1.285 -2.212 0 N-CA-C 106.166 -1.79 . . . . 0.0 106.166 172.102 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 76' ' ' ALA . . . . . 0.462 ' HB3' HD22 ' A' ' 80' ' ' LEU . . . -84.73 142.23 39.27 Favored Pre-proline 0 C--N 1.304 -1.385 0 N-CA-C 107.732 -1.21 . . . . 0.0 107.732 177.897 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 77' ' ' PRO . . . . . 0.416 ' HB2' ' CD1' ' A' ' 79' ' ' TRP . 27.9 Cg_endo -60.35 162.45 17.32 Favored 'Trans proline' 0 C--O 1.238 0.483 0 C-N-CA 124.074 3.183 . . . . 0.0 114.293 -178.551 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 78' ' ' ASP . . . . . . . . . . . . . 11.6 t70 -60.88 -38.33 85.23 Favored 'General case' 0 C--N 1.323 -0.583 0 C-N-CA 124.403 1.081 . . . . 0.0 110.545 -179.618 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 79' ' ' TRP . . . . . 0.416 ' CD1' ' HB2' ' A' ' 77' ' ' PRO . 66.2 p-90 -71.16 -14.09 62.16 Favored 'General case' 0 C--O 1.221 -0.425 0 CA-C-N 115.419 -0.809 . . . . 0.0 111.994 -178.279 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 80' ' ' LEU . . . . . 0.462 HD22 ' HB3' ' A' ' 76' ' ' ALA . 31.7 tp -89.11 98.69 11.91 Favored 'General case' 0 N--CA 1.425 -1.682 0 N-CA-C 107.019 -1.474 . . . . 0.0 107.019 179.312 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -106.01 163.04 13.08 Favored 'General case' 0 C--N 1.304 -1.404 0 CA-C-N 115.049 -0.978 . . . . 0.0 110.734 -176.172 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 82' ' ' ALA . . . . . 0.604 ' HA ' ' O ' ' A' ' 26' ' ' VAL . . . -151.79 146.35 25.65 Favored 'General case' 0 C--N 1.288 -2.079 0 N-CA-C 106.393 -1.706 . . . . 0.0 106.393 173.024 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 9.4 pt-20 -150.19 156.51 37.5 Favored Pre-proline 0 C--N 1.293 -1.851 0 N-CA-C 105.538 -2.023 . . . . 0.0 105.538 176.569 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 84' ' ' PRO . . . . . 0.739 ' HA ' ' O ' ' A' ' 24' ' ' SER . 65.6 Cg_endo -70.25 134.91 28.01 Favored 'Trans proline' 0 N--CA 1.432 -2.093 0 N-CA-C 109.365 -1.052 . . . . 0.0 109.365 175.527 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 85' ' ' TYR . . . . . 0.487 ' HB2' ' CE1' ' A' ' 41' ' ' TYR 0.42 0.8 OUTLIER . . . . . 0 C--O 1.254 1.334 0 N-CA-C 118.887 2.921 . . . . 0.0 118.887 -166.973 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 22.7 t . . . . . 0 C--O 1.239 0.536 0 N-CA-C 105.091 -2.188 . . . . 0.0 105.091 . . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . -133.18 135.08 7.86 Favored Glycine 0 N--CA 1.423 -2.171 0 N-CA-C 109.391 -1.484 . . . . 0.0 109.391 179.226 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 9' ' ' ARG . . . . . 0.602 ' HD3' ' O ' ' A' ' 9' ' ' ARG . 0.0 OUTLIER -104.85 114.8 29.24 Favored 'General case' 0 C--N 1.308 -1.224 0 N-CA-C 108.327 -0.99 . . . . 0.0 108.327 175.195 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 10' ' ' GLU . . . . . 0.43 ' HB2' HD23 ' A' ' 32' ' ' LEU . 20.4 mm-40 -130.32 166.88 19.45 Favored 'General case' 0 C--N 1.301 -1.504 0 N-CA-C 107.046 -1.464 . . . . 0.0 107.046 -175.957 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 11' ' ' ASN . . . . . . . . . . . . . 7.1 t30 -143.17 132.04 22.78 Favored 'General case' 0 C--N 1.294 -1.812 0 N-CA-C 107.092 -1.448 . . . . 0.0 107.092 176.166 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 1.4 pt? -110.42 128.83 55.78 Favored 'General case' 0 C--N 1.31 -1.145 0 N-CA-C 108.011 -1.107 . . . . 0.0 108.011 -179.994 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 13' ' ' TYR . . . . . . . . . . . . . 74.5 t80 -91.01 98.07 11.55 Favored 'General case' 0 C--N 1.299 -1.588 0 C-N-CA 118.65 -1.22 . . . . 0.0 109.828 178.22 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 14' ' ' PHE . . . . . . . . . . . . . 86.7 t80 -101.6 144.38 30.41 Favored 'General case' 0 C--N 1.298 -1.662 0 N-CA-C 103.851 -2.648 . . . . 0.0 103.851 172.138 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 94.4 mt-30 -78.89 88.78 4.69 Favored 'General case' 0 C--N 1.313 -0.988 0 N-CA-C 108.225 -1.028 . . . . 0.0 108.225 179.86 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . -102.04 164.57 17.14 Favored Glycine 0 N--CA 1.424 -2.162 0 CA-C-N 113.692 -1.595 . . . . 0.0 110.209 -179.543 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 17' ' ' HIS . . . . . . . . . . . . . 13.0 m-70 -74.46 119.81 19.17 Favored 'General case' 0 C--N 1.3 -1.547 0 N-CA-C 108.164 -1.05 . . . . 0.0 108.164 179.073 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 18' ' ' MET . . . . . . . . . . . . . 16.4 tpt -49.14 134.87 17.24 Favored 'General case' 0 C--N 1.327 -0.41 0 O-C-N 124.797 1.311 . . . . 0.0 112.7 -175.316 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -76.98 113.64 14.91 Favored 'General case' 0 N--CA 1.443 -0.792 0 N-CA-C 107.182 -1.414 . . . . 0.0 107.182 176.865 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -83.99 153.94 63.79 Favored Pre-proline 0 C--N 1.307 -1.276 0 CA-C-N 115.949 -0.569 . . . . 0.0 109.779 -176.063 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 21' ' ' PRO . . . . . . . . . . . . . 45.2 Cg_exo -63.08 89.41 0.13 Allowed 'Trans proline' 0 CA--C 1.534 0.482 0 C-N-CA 122.6 2.2 . . . . 0.0 109.38 173.312 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -100.01 33.63 2.54 Favored 'General case' 0 C--N 1.306 -1.323 0 N-CA-C 114.196 1.184 . . . . 0.0 114.196 -170.752 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 23' ' ' ARG . . . . . 0.482 ' C ' HG12 ' A' ' 44' ' ' ILE . 62.1 mtt180 62.4 14.36 6.83 Favored 'General case' 0 C--N 1.316 -0.849 0 N-CA-C 112.85 0.685 . . . . 0.0 112.85 178.52 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 24' ' ' SER . . . . . 0.546 ' O ' ' HA ' ' A' ' 84' ' ' PRO . 61.1 m -152.94 142.47 21.79 Favored 'General case' 0 C--N 1.314 -0.948 0 O-C-N 120.881 -1.137 . . . . 0.0 111.309 179.652 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 25' ' ' CYS . . . . . . . . . . . . . 90.7 m -107.85 131.1 54.85 Favored 'General case' 0 N--CA 1.434 -1.254 0 N-CA-C 104.597 -2.372 . . . . 0.0 104.597 175.705 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 26' ' ' VAL . . . . . 0.513 ' O ' ' HA ' ' A' ' 82' ' ' ALA . 4.1 t -113.69 128.9 70.36 Favored 'Isoleucine or valine' 0 C--N 1.283 -2.299 0 N-CA-C 107.389 -1.337 . . . . 0.0 107.389 -171.221 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 27' ' ' TYR . . . . . . . . . . . . . 57.6 m-85 -100.3 131.63 46.13 Favored 'General case' 0 C--N 1.304 -1.402 0 O-C-N 124.168 0.918 . . . . 0.0 111.496 -172.155 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 28' ' ' TYR . . . . . 0.419 ' HA ' ' O ' ' A' ' 37' ' ' VAL . 97.6 m-85 -129.7 148.7 51.61 Favored 'General case' 0 N--CA 1.419 -2.022 0 CA-C-N 114.322 -1.308 . . . . 0.0 109.973 -178.961 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 7.1 t0 -101.62 109.64 21.48 Favored 'General case' 0 C--N 1.289 -2.042 0 N-CA-C 104.68 -2.341 . . . . 0.0 104.68 173.507 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . -170.85 140.92 6.2 Favored Glycine 0 C--N 1.305 -1.14 0 C-N-CA 117.903 -2.094 . . . . 0.0 115.154 179.008 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 31' ' ' HIS . . . . . . . . . . . . . 41.3 m-70 -90.68 -28.45 18.34 Favored 'General case' 0 C--N 1.304 -1.375 0 N-CA-C 107.429 -1.323 . . . . 0.0 107.429 175.99 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 32' ' ' LEU . . . . . 0.43 HD23 ' HB2' ' A' ' 10' ' ' GLU . 15.6 mt -123.15 153.75 64.79 Favored Pre-proline 0 N--CA 1.439 -1.01 0 N-CA-C 104.8 -2.296 . . . . 0.0 104.8 178.309 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 33' ' ' PRO . . . . . 0.431 ' O ' ' HG2' ' A' ' 36' ' ' ARG . 34.6 Cg_endo -70.55 -4.6 14.88 Favored 'Trans proline' 0 CA--C 1.539 0.762 0 C-N-CA 121.588 1.525 . . . . 0.0 109.725 170.858 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -92.29 -17.27 24.97 Favored 'General case' 0 N--CA 1.446 -0.647 0 CA-C-N 115.647 -0.706 . . . . 0.0 109.606 177.311 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 23.3 p -116.4 17.13 15.6 Favored 'General case' 0 N--CA 1.451 -0.395 0 CA-C-O 120.891 0.377 . . . . 0.0 111.211 179.902 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 36' ' ' ARG . . . . . 0.431 ' HG2' ' O ' ' A' ' 33' ' ' PRO . 25.3 ptt180 -70.53 123.49 21.95 Favored 'General case' 0 N--CA 1.444 -0.731 0 CA-C-O 121.684 0.754 . . . . 0.0 110.229 178.974 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 37' ' ' VAL . . . . . 0.419 ' O ' ' HA ' ' A' ' 28' ' ' TYR . 60.1 t -108.49 121.47 61.57 Favored 'Isoleucine or valine' 0 C--N 1.306 -1.313 0 N-CA-C 106.425 -1.694 . . . . 0.0 106.425 -177.759 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 60.5 tp -66.09 118.55 10.0 Favored 'General case' 0 N--CA 1.439 -1.013 0 O-C-N 123.786 0.679 . . . . 0.0 110.733 179.419 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 85.5 mt -91.46 -53.63 4.24 Favored 'General case' 0 C--N 1.303 -1.441 0 CA-C-N 114.612 -1.176 . . . . 0.0 109.183 177.315 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 40' ' ' MET . . . . . . . . . . . . . 24.6 ptp -175.37 167.89 3.31 Favored 'General case' 0 CA--C 1.515 -0.39 0 CA-C-N 115.771 -0.65 . . . . 0.0 112.73 -176.297 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 41' ' ' TYR . . . . . . . . . . . . . 95.4 m-85 -107.78 130.37 54.97 Favored 'General case' 0 C--N 1.317 -0.827 0 CA-C-N 113.814 -1.539 . . . . 0.0 107.605 176.431 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 40.7 t -125.44 124.01 66.09 Favored 'Isoleucine or valine' 0 C--N 1.315 -0.901 0 N-CA-C 108.108 -1.071 . . . . 0.0 108.108 178.002 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 43' ' ' ARG . . . . . 0.418 ' HG2' ' N ' ' A' ' 44' ' ' ILE . 19.1 ttt180 -69.26 148.4 49.84 Favored 'General case' 0 C--N 1.304 -1.378 0 CA-C-O 121.221 0.534 . . . . 0.0 110.137 178.843 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 44' ' ' ILE . . . . . 0.482 HG12 ' C ' ' A' ' 23' ' ' ARG . 19.5 mm -64.84 129.14 28.61 Favored 'Isoleucine or valine' 0 C--N 1.305 -1.34 0 N-CA-C 107.167 -1.42 . . . . 0.0 107.167 175.87 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . 91.09 16.52 53.8 Favored Glycine 0 C--N 1.294 -1.761 0 N-CA-C 110.149 -1.181 . . . . 0.0 110.149 178.759 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 46' ' ' ASN . . . . . . . . . . . . . 42.0 t30 -131.7 157.07 44.73 Favored 'General case' 0 C--N 1.31 -1.149 0 N-CA-C 108.557 -0.905 . . . . 0.0 108.557 178.697 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 18.9 p -111.0 153.85 24.98 Favored 'General case' 0 C--N 1.287 -2.109 0 CA-C-N 114.797 -1.092 . . . . 0.0 109.54 -179.775 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -149.7 150.71 32.52 Favored 'General case' 0 C--N 1.299 -1.617 0 CA-C-N 115.856 -0.611 . . . . 0.0 111.743 179.253 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 27.5 m -102.49 110.63 22.63 Favored 'General case' 0 C--N 1.302 -1.48 0 N-CA-C 107.186 -1.413 . . . . 0.0 107.186 177.999 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 50' ' ' ILE . . . . . . . . . . . . . 9.8 mm -96.69 110.3 24.57 Favored 'Isoleucine or valine' 0 C--N 1.311 -1.079 0 N-CA-C 107.893 -1.151 . . . . 0.0 107.893 -177.827 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 89.0 m -92.05 123.08 35.14 Favored 'General case' 0 C--N 1.293 -1.868 0 C-N-CA 116.95 -1.9 . . . . 0.0 106.324 171.445 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -147.6 122.35 9.91 Favored 'General case' 0 C--N 1.307 -1.268 0 N-CA-C 107.959 -1.126 . . . . 0.0 107.959 -179.053 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 53' ' ' ARG . . . . . 0.469 ' HD3' ' CZ2' ' A' ' 79' ' ' TRP . 20.1 mtp180 65.39 22.03 11.94 Favored 'General case' 0 C--N 1.325 -0.494 0 C-N-CA 124.593 1.157 . . . . 0.0 111.533 179.336 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . 94.44 -0.5 65.81 Favored Glycine 0 N--CA 1.446 -0.645 0 CA-C-N 114.929 -1.032 . . . . 0.0 112.919 179.366 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 55' ' ' HIS . . . . . . . . . . . . . 66.8 m-70 -111.16 131.49 55.06 Favored 'General case' 0 C--N 1.314 -0.96 0 O-C-N 122.409 -0.465 . . . . 0.0 110.958 -179.128 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 7.3 mp0 -84.47 125.24 32.19 Favored 'General case' 0 N--CA 1.443 -0.811 0 N-CA-C 109.644 -0.502 . . . . 0.0 109.644 170.633 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 57' ' ' PHE . . . . . . . . . . . . . 89.8 m-85 -112.89 107.14 15.61 Favored 'General case' 0 N--CA 1.422 -1.869 0 N-CA-C 104.674 -2.343 . . . . 0.0 104.674 174.216 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 35.1 tt0 -90.96 112.26 24.06 Favored 'General case' 0 C--N 1.298 -1.658 0 N-CA-C 106.417 -1.698 . . . . 0.0 106.417 -178.723 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 59' ' ' VAL . . . . . 0.488 ' HA ' ' HA ' ' A' ' 70' ' ' LEU . 27.5 m -110.38 163.26 7.37 Favored 'Isoleucine or valine' 0 C--N 1.299 -1.618 0 CA-C-N 115.451 -0.795 . . . . 0.0 111.131 -175.35 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 39.3 tt0 -129.35 118.2 21.85 Favored 'General case' 0 C--N 1.295 -1.791 0 N-CA-C 105.277 -2.119 . . . . 0.0 105.277 174.897 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -77.28 89.66 3.72 Favored 'General case' 0 C--N 1.312 -1.053 0 N-CA-C 107.615 -1.254 . . . . 0.0 107.615 177.46 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 29.8 mmmt -65.2 -55.6 17.61 Favored 'General case' 0 C--N 1.317 -0.81 0 CA-C-N 114.137 -1.392 . . . . 0.0 112.07 -174.173 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 14.8 t70 -147.58 165.9 28.97 Favored 'General case' 0 C--N 1.316 -0.86 0 CA-C-N 115.215 -0.902 . . . . 0.0 109.449 -174.963 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 64' ' ' GLN . . . . . 0.427 ' HG2' HG13 ' A' ' 44' ' ' ILE . 73.5 mt-30 -76.35 13.03 1.02 Allowed 'General case' 0 C--N 1.325 -0.484 0 C-N-CA 124.508 1.123 . . . . 0.0 112.859 -173.761 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 65' ' ' ASN . . . . . . . . . . . . . 9.6 p30 -77.65 -20.72 53.3 Favored 'General case' 0 C--O 1.238 0.472 0 N-CA-C 107.502 -1.295 . . . . 0.0 107.502 171.619 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 66' ' ' CYS . . . . . . . . . . . . 0.262 78.3 m 52.23 55.55 9.01 Favored 'General case' 0 N--CA 1.446 -0.667 0 N-CA-C 116.098 1.888 . . . . 0.0 116.098 176.254 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 67' ' ' LYS . . . . . 0.405 ' HA ' ' HE3' ' A' ' 67' ' ' LYS . 0.2 OUTLIER -92.81 154.19 18.41 Favored 'General case' 0 CA--C 1.482 -1.662 0 N-CA-C 106.679 -1.6 . . . . 0.0 106.679 168.314 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 68' ' ' VAL . . . . . . . . . . . . . 6.5 p -79.33 99.44 3.42 Favored 'Isoleucine or valine' 0 C--N 1.286 -2.164 0 CA-C-O 122.637 1.208 . . . . 0.0 109.463 179.805 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 69' ' ' ILE . . . . . . . . . . . . . 82.5 mt -114.15 119.45 61.28 Favored 'Isoleucine or valine' 0 C--N 1.306 -1.315 0 N-CA-C 107.3 -1.37 . . . . 0.0 107.3 -178.735 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 70' ' ' LEU . . . . . 0.488 ' HA ' ' HA ' ' A' ' 59' ' ' VAL . 3.0 mm? -82.46 153.21 25.76 Favored 'General case' 0 N--CA 1.417 -2.111 0 CA-C-N 114.752 -1.113 . . . . 0.0 109.871 -176.904 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 71' ' ' THR . . . . . . . . . . . . . 37.7 p -62.15 -31.68 72.19 Favored 'General case' 0 C--N 1.293 -1.882 0 CA-C-N 114.563 -1.199 . . . . 0.0 111.827 -178.647 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 72' ' ' ASN . . . . . . . . . . . . . 0.0 OUTLIER -103.25 4.3 36.5 Favored 'General case' 0 C--N 1.306 -1.308 0 CA-C-N 114.111 -1.404 . . . . 0.0 110.364 -175.321 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 73' ' ' GLY . . . . . . . . . . . . . . . 83.98 6.44 86.7 Favored Glycine 0 CA--C 1.493 -1.327 0 CA-C-N 113.584 -1.643 . . . . 0.0 111.474 171.249 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 74' ' ' LYS . . . . . 0.465 ' O ' HD23 ' A' ' 70' ' ' LEU . 57.4 mmtt -53.97 161.01 1.31 Allowed 'General case' 0 C--N 1.308 -1.213 0 N-CA-C 115.363 1.616 . . . . 0.0 115.363 179.764 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 75' ' ' GLN . . . . . . . . . . . . . 7.8 tt0 -87.6 128.34 35.27 Favored 'General case' 0 C--N 1.296 -1.723 0 CA-C-N 112.739 -2.028 . . . . 0.0 108.455 176.818 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 76' ' ' ALA . . . . . 0.48 ' HB2' HD22 ' A' ' 70' ' ' LEU . . . -108.05 140.04 21.28 Favored Pre-proline 0 C--N 1.3 -1.564 0 N-CA-C 108.443 -0.947 . . . . 0.0 108.443 176.361 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 77' ' ' PRO . . . . . . . . . . . . . 98.9 Cg_exo -50.09 155.85 4.14 Favored 'Trans proline' 0 C--O 1.239 0.525 0 C-N-CA 124.237 3.291 . . . . 0.0 114.151 178.038 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 78' ' ' ASP . . . . . . . . . . . . . 6.5 m-20 -56.72 -33.88 66.93 Favored 'General case' 0 C--N 1.322 -0.608 0 C-N-CA 125.022 1.329 . . . . 0.0 111.195 -178.212 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 79' ' ' TRP . . . . . 0.469 ' CZ2' ' HD3' ' A' ' 53' ' ' ARG . 64.1 p-90 -80.54 -10.04 59.75 Favored 'General case' 0 C--N 1.317 -0.824 0 N-CA-C 113.033 0.753 . . . . 0.0 113.033 -177.317 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 80' ' ' LEU . . . . . 0.426 HD23 ' HB3' ' A' ' 76' ' ' ALA . 26.3 tp -85.57 107.72 17.62 Favored 'General case' 0 N--CA 1.436 -1.136 0 N-CA-C 108.267 -1.012 . . . . 0.0 108.267 -177.954 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -109.81 157.89 18.71 Favored 'General case' 0 C--N 1.311 -1.107 0 CA-C-O 121.72 0.771 . . . . 0.0 112.361 -175.295 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 82' ' ' ALA . . . . . 0.513 ' HA ' ' O ' ' A' ' 26' ' ' VAL . . . -145.21 138.74 26.71 Favored 'General case' 0 C--N 1.306 -1.325 0 CA-C-N 113.84 -1.527 . . . . 0.0 107.507 175.511 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 9.3 pt-20 -155.06 148.94 18.92 Favored Pre-proline 0 C--N 1.306 -1.298 0 N-CA-C 105.435 -2.061 . . . . 0.0 105.435 176.709 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 84' ' ' PRO . . . . . 0.546 ' HA ' ' O ' ' A' ' 24' ' ' SER . 70.9 Cg_endo -68.91 151.21 73.82 Favored 'Trans proline' 0 CA--C 1.544 0.992 0 CA-C-N 121.05 1.411 . . . . 0.0 112.322 178.469 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 85' ' ' TYR . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.316 -0.849 0 N-CA-C 114.919 1.452 . . . . 0.0 114.919 -172.452 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 32.3 t . . . . . 0 C--O 1.234 0.28 0 N-CA-C 108.203 -1.036 . . . . 0.0 108.203 . . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . -87.96 121.12 5.8 Favored Glycine 0 N--CA 1.438 -1.179 0 N-CA-C 108.233 -1.947 . . . . 0.0 108.233 175.405 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 20.1 mtp180 -96.27 -178.45 4.31 Favored 'General case' 0 C--N 1.31 -1.145 0 N-CA-C 113.423 0.897 . . . . 0.0 113.423 -176.279 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 10' ' ' GLU . . . . . 0.436 ' H ' ' CD ' ' A' ' 10' ' ' GLU . 2.4 mp0 -29.87 108.69 0.04 OUTLIER 'General case' 0 N--CA 1.474 0.775 0 C-N-CA 127.882 2.473 . . . . 0.0 111.727 -178.576 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 11' ' ' ASN . . . . . . . . . . . . . 51.1 m-20 -83.03 89.75 6.94 Favored 'General case' 0 C--N 1.307 -1.247 0 CA-C-O 121.219 0.533 . . . . 0.0 111.5 176.636 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 2.6 pt? -119.74 116.61 26.29 Favored 'General case' 0 C--N 1.303 -1.448 0 N-CA-C 108.306 -0.998 . . . . 0.0 108.306 177.668 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 13' ' ' TYR . . . . . . . . . . . . . 26.5 p90 -97.83 100.05 11.4 Favored 'General case' 0 C--N 1.298 -1.649 0 N-CA-C 107.131 -1.433 . . . . 0.0 107.131 174.451 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 14' ' ' PHE . . . . . . . . . . . . . 1.4 t80 -87.91 -179.62 6.27 Favored 'General case' 0 N--CA 1.429 -1.502 0 N-CA-C 107.183 -1.414 . . . . 0.0 107.183 -175.957 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 49.8 mt-30 -78.2 89.17 4.27 Favored 'General case' 0 C--N 1.318 -0.799 0 N-CA-C 114.906 1.447 . . . . 0.0 114.906 -173.201 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . -135.07 134.11 7.12 Favored Glycine 0 N--CA 1.429 -1.806 0 N-CA-C 105.51 -3.036 . . . . 0.0 105.51 174.283 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 17' ' ' HIS . . . . . . . . . . . . . 53.7 m80 -80.56 136.62 36.3 Favored 'General case' 0 C--N 1.303 -1.422 0 N-CA-C 114.241 1.2 . . . . 0.0 114.241 -172.929 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 18' ' ' MET . . . . . . . . . . . . . 54.4 ttp -83.86 161.35 20.92 Favored 'General case' 0 C--N 1.314 -0.973 0 N-CA-C 106.205 -1.776 . . . . 0.0 106.205 175.891 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -64.77 161.24 18.42 Favored 'General case' 0 N--CA 1.435 -1.222 0 C-N-CA 122.674 0.39 . . . . 0.0 110.38 178.141 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -53.65 124.12 40.71 Favored Pre-proline 0 C--N 1.313 -1.02 0 O-C-N 124.714 1.259 . . . . 0.0 110.532 -178.977 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 21' ' ' PRO . . . . . . . . . . . . . 97.7 Cg_exo -47.1 121.89 5.71 Favored 'Trans proline' 0 C--N 1.358 1.047 0 C-N-CA 123.881 3.054 . . . . 0.0 112.065 179.07 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -67.85 29.94 0.02 OUTLIER 'General case' 0 C--N 1.321 -0.668 0 N-CA-C 116.688 2.107 . . . . 0.0 116.688 -172.581 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 23' ' ' ARG . . . . . 0.546 ' C ' HG12 ' A' ' 44' ' ' ILE . 55.3 mtm180 54.83 30.49 13.86 Favored 'General case' 0 C--N 1.311 -1.089 0 C-N-CA 124.025 0.93 . . . . 0.0 113.262 177.054 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 24' ' ' SER . . . . . 0.644 ' O ' ' HA ' ' A' ' 84' ' ' PRO . 72.6 m -159.61 137.5 10.13 Favored 'General case' 0 C--N 1.322 -0.595 0 C-N-CA 123.761 0.825 . . . . 0.0 109.756 177.227 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 25' ' ' CYS . . . . . . . . . . . . . 98.2 m -107.97 131.41 54.58 Favored 'General case' 0 N--CA 1.441 -0.883 0 N-CA-C 104.919 -2.252 . . . . 0.0 104.919 175.457 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 26' ' ' VAL . . . . . 0.635 ' O ' ' HA ' ' A' ' 82' ' ' ALA . 3.1 t -110.06 125.07 67.27 Favored 'Isoleucine or valine' 0 C--N 1.291 -1.961 0 N-CA-C 107.612 -1.255 . . . . 0.0 107.612 -174.218 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 27' ' ' TYR . . . . . . . . . . . . . 8.3 m-85 -91.05 132.96 35.69 Favored 'General case' 0 C--N 1.299 -1.606 0 O-C-N 124.324 1.015 . . . . 0.0 110.98 -173.96 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 28' ' ' TYR . . . . . 0.44 ' HB3' ' HB3' ' A' ' 36' ' ' ARG . 37.2 m-85 -124.91 167.3 14.87 Favored 'General case' 0 N--CA 1.424 -1.727 0 CA-C-N 114.509 -1.223 . . . . 0.0 109.999 -178.476 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 29' ' ' ASP . . . . . 0.451 ' HB3' ' HB ' ' A' ' 37' ' ' VAL . 2.8 t0 -121.58 102.55 8.3 Favored 'General case' 0 C--N 1.305 -1.351 0 N-CA-C 105.194 -2.15 . . . . 0.0 105.194 177.803 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . -172.31 141.76 6.46 Favored Glycine 0 CA--C 1.486 -1.767 0 C-N-CA 118.931 -1.604 . . . . 0.0 112.627 177.307 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 31' ' ' HIS . . . . . . . . . . . . . 12.9 t-80 -89.59 -25.51 21.28 Favored 'General case' 0 C--N 1.296 -1.75 0 N-CA-C 108.161 -1.052 . . . . 0.0 108.161 176.767 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 11.2 mp -117.83 143.35 32.36 Favored Pre-proline 0 N--CA 1.436 -1.143 0 N-CA-C 107.439 -1.319 . . . . 0.0 107.439 177.795 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 33' ' ' PRO . . . . . . . . . . . . . 18.8 Cg_exo -52.03 -38.06 69.11 Favored 'Trans proline' 0 N--CA 1.461 -0.424 0 C-N-CA 122.868 2.379 . . . . 0.0 110.757 175.268 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -74.79 -18.02 60.53 Favored 'General case' 0 C--N 1.321 -0.665 0 N-CA-C 113.88 1.067 . . . . 0.0 113.88 -177.326 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 34.0 p -108.08 7.26 27.6 Favored 'General case' 0 C--N 1.322 -0.606 0 N-CA-C 112.663 0.616 . . . . 0.0 112.663 -176.006 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 36' ' ' ARG . . . . . 0.443 ' HA ' ' O ' ' A' ' 29' ' ' ASP . 81.5 mtm180 -65.46 142.5 58.14 Favored 'General case' 0 C--N 1.326 -0.451 0 CA-C-O 121.559 0.695 . . . . 0.0 112.132 -177.652 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 37' ' ' VAL . . . . . 0.451 ' HB ' ' HB3' ' A' ' 29' ' ' ASP . 61.6 t -114.37 137.55 47.33 Favored 'Isoleucine or valine' 0 C--N 1.304 -1.409 0 N-CA-C 105.866 -1.901 . . . . 0.0 105.866 -179.97 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 1.5 tm? -77.46 113.84 15.68 Favored 'General case' 0 C--N 1.311 -1.104 0 N-CA-C 108.492 -0.929 . . . . 0.0 108.492 -177.077 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 92.3 mt -90.76 -61.71 1.61 Allowed 'General case' 0 C--N 1.32 -0.703 0 C-N-CA 120.24 -0.584 . . . . 0.0 111.192 178.984 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 40' ' ' MET . . . . . . . . . . . . . 7.8 ttp -169.72 157.65 7.09 Favored 'General case' 0 N--CA 1.453 -0.279 0 CA-C-O 120.849 0.357 . . . . 0.0 111.32 -178.484 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 41' ' ' TYR . . . . . . . . . . . . . 12.3 m-85 -94.39 133.58 37.82 Favored 'General case' 0 C--N 1.316 -0.859 0 C-N-CA 124.097 0.959 . . . . 0.0 109.623 178.879 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 22.1 t -124.52 112.57 32.71 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.834 0 N-CA-C 109.022 -0.732 . . . . 0.0 109.022 176.857 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 28.8 ttt-85 -60.46 143.6 53.05 Favored 'General case' 0 C--N 1.308 -1.206 0 C-N-CA 123.921 0.888 . . . . 0.0 109.472 178.972 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 44' ' ' ILE . . . . . 0.546 HG12 ' C ' ' A' ' 23' ' ' ARG . 29.7 mm -67.02 121.02 15.32 Favored 'Isoleucine or valine' 0 C--N 1.313 -1.005 0 N-CA-C 107.695 -1.224 . . . . 0.0 107.695 177.212 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . 98.41 15.11 36.08 Favored Glycine 0 C--N 1.291 -1.925 0 N-CA-C 110.257 -1.137 . . . . 0.0 110.257 179.112 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 46' ' ' ASN . . . . . . . . . . . . . 51.0 t30 -129.6 157.99 40.54 Favored 'General case' 0 C--N 1.312 -1.045 0 CA-C-O 121.206 0.526 . . . . 0.0 109.699 -179.772 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 25.5 p -108.42 151.63 25.77 Favored 'General case' 0 C--N 1.292 -1.911 0 CA-C-N 114.926 -1.033 . . . . 0.0 108.909 176.622 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -148.22 147.84 29.84 Favored 'General case' 0 C--N 1.293 -1.873 0 CA-C-N 115.766 -0.652 . . . . 0.0 109.836 179.132 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 6.8 m -108.11 113.47 26.63 Favored 'General case' 0 C--N 1.298 -1.66 0 N-CA-C 107.785 -1.191 . . . . 0.0 107.785 177.44 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 50' ' ' ILE . . . . . 0.527 ' O ' ' HA ' ' A' ' 56' ' ' GLU . 19.9 mm -95.45 119.74 43.91 Favored 'Isoleucine or valine' 0 CA--C 1.498 -1.022 0 CA-C-N 115.205 -0.907 . . . . 0.0 108.716 -172.792 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 5.6 m -96.2 124.63 40.27 Favored 'General case' 0 C--N 1.293 -1.867 0 N-CA-C 107.208 -1.405 . . . . 0.0 107.208 174.436 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -146.24 121.79 10.41 Favored 'General case' 0 C--N 1.307 -1.269 0 N-CA-C 106.542 -1.651 . . . . 0.0 106.542 177.45 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 53' ' ' ARG . . . . . 0.585 ' HG2' ' O ' ' A' ' 53' ' ' ARG . 32.9 ttt180 65.02 24.45 12.59 Favored 'General case' 0 CA--C 1.545 0.782 0 CA-C-O 123.965 1.841 . . . . 0.0 109.851 -178.519 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . 80.48 4.96 90.09 Favored Glycine 0 C--N 1.295 -1.728 0 CA-C-N 114.358 -1.292 . . . . 0.0 112.074 -177.972 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 55' ' ' HIS . . . . . . . . . . . . . 54.4 m-70 -100.08 127.83 46.26 Favored 'General case' 0 C--N 1.32 -0.711 0 N-CA-C 107.873 -1.158 . . . . 0.0 107.873 177.617 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 56' ' ' GLU . . . . . 0.527 ' HA ' ' O ' ' A' ' 50' ' ' ILE . 11.0 mt-10 -97.09 132.27 43.05 Favored 'General case' 0 C--N 1.305 -1.328 0 CA-C-O 121.206 0.526 . . . . 0.0 110.363 176.783 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 57' ' ' PHE . . . . . . . . . . . . . 89.4 m-85 -118.14 113.03 20.95 Favored 'General case' 0 C--N 1.309 -1.172 0 N-CA-C 107.848 -1.167 . . . . 0.0 107.848 178.826 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 35.7 tt0 -86.0 110.92 19.81 Favored 'General case' 0 N--CA 1.435 -1.214 0 N-CA-C 106.07 -1.826 . . . . 0.0 106.07 177.016 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 59' ' ' VAL . . . . . 0.415 HG13 HD11 ' A' ' 70' ' ' LEU . 20.7 m -112.16 162.57 9.96 Favored 'Isoleucine or valine' 0 C--N 1.299 -1.597 0 CA-C-N 115.531 -0.759 . . . . 0.0 109.728 -178.271 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 60' ' ' GLU . . . . . 0.44 ' HB2' HG22 ' A' ' 71' ' ' THR . 35.5 tt0 -132.6 109.89 10.06 Favored 'General case' 0 C--N 1.291 -1.941 0 N-CA-C 106.403 -1.703 . . . . 0.0 106.403 178.177 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -78.91 88.9 4.7 Favored 'General case' 0 C--N 1.311 -1.066 0 N-CA-C 105.877 -1.898 . . . . 0.0 105.877 175.387 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 7.6 mtmp? -73.0 -45.76 56.06 Favored 'General case' 0 C--N 1.311 -1.072 0 CA-C-N 114.892 -1.049 . . . . 0.0 111.188 -174.721 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 29.3 t70 -144.03 164.43 30.65 Favored 'General case' 0 C--N 1.303 -1.435 0 CA-C-N 114.343 -1.299 . . . . 0.0 109.709 -174.243 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 64' ' ' GLN . . . . . . . . . . . . . 0.8 OUTLIER -66.82 10.75 0.12 Allowed 'General case' 0 N--CA 1.47 0.528 0 C-N-CA 126.155 1.782 . . . . 0.0 114.795 -178.251 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 65' ' ' ASN . . . . . . . . . . . . . 5.0 t-20 -63.34 -38.63 91.89 Favored 'General case' 0 C--N 1.319 -0.74 0 C-N-CA 124.858 1.263 . . . . 0.0 107.768 175.023 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 66' ' ' CYS . . . . . 0.628 ' O ' ' HB3' ' A' ' 82' ' ' ALA 0.252 82.8 m 59.49 25.46 14.26 Favored 'General case' 0 C--N 1.326 -0.416 0 N-CA-C 115.73 1.752 . . . . 0.0 115.73 178.799 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 5.1 mptp? -78.29 156.54 29.6 Favored 'General case' 0 C--N 1.294 -1.814 0 N-CA-C 108.027 -1.101 . . . . 0.0 108.027 167.881 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 68' ' ' VAL . . . . . 0.483 HG22 HD22 ' A' ' 80' ' ' LEU . 6.1 p -73.06 108.36 4.33 Favored 'Isoleucine or valine' 0 C--N 1.286 -2.164 0 CA-C-N 115.152 -0.931 . . . . 0.0 108.824 178.145 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 69' ' ' ILE . . . . . . . . . . . . . 97.0 mt -121.48 118.64 56.57 Favored 'Isoleucine or valine' 0 C--N 1.303 -1.44 0 N-CA-C 107.196 -1.409 . . . . 0.0 107.196 177.9 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 70' ' ' LEU . . . . . 0.498 HD22 ' HB2' ' A' ' 76' ' ' ALA . 3.2 mm? -81.92 157.0 24.48 Favored 'General case' 0 N--CA 1.425 -1.693 0 CA-C-N 115.244 -0.889 . . . . 0.0 109.489 -179.625 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 71' ' ' THR . . . . . 0.44 HG22 ' HB2' ' A' ' 60' ' ' GLU . 50.5 p -69.79 -22.7 63.3 Favored 'General case' 0 C--N 1.283 -2.285 0 CA-C-N 114.227 -1.351 . . . . 0.0 111.361 177.25 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 72' ' ' ASN . . . . . . . . . . . . . 44.0 m-80 -94.95 -6.32 42.72 Favored 'General case' 0 C--N 1.315 -0.921 0 CA-C-N 114.912 -1.04 . . . . 0.0 109.283 -179.344 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 73' ' ' GLY . . . . . . . . . . . . . . . 79.32 20.79 68.66 Favored Glycine 0 CA--C 1.502 -0.776 0 CA-C-O 122.398 0.999 . . . . 0.0 110.686 175.407 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 74' ' ' LYS . . . . . 0.456 ' O ' HD23 ' A' ' 70' ' ' LEU . 30.1 mmmt -76.24 164.03 26.46 Favored 'General case' 0 N--CA 1.425 -1.71 0 CA-C-N 113.604 -1.298 . . . . 0.0 110.524 -176.961 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 75' ' ' GLN . . . . . . . . . . . . . 17.9 mp0 -94.74 126.46 40.06 Favored 'General case' 0 C--N 1.291 -1.968 0 CA-C-N 114.745 -1.116 . . . . 0.0 108.008 174.051 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 76' ' ' ALA . . . . . 0.498 ' HB2' HD22 ' A' ' 70' ' ' LEU . . . -103.96 159.49 29.14 Favored Pre-proline 0 C--N 1.298 -1.658 0 N-CA-C 107.977 -1.119 . . . . 0.0 107.977 179.57 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 77' ' ' PRO . . . . . . . . . . . . . 1.9 Cg_endo -45.38 146.44 3.16 Favored 'Trans proline' 0 C--N 1.347 0.488 0 C-N-CA 124.191 3.261 . . . . 0.0 113.934 176.762 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 78' ' ' ASP . . . . . . . . . . . . . 32.3 t70 -68.01 -22.34 64.99 Favored 'General case' 0 C--N 1.321 -0.638 0 CA-C-O 121.664 0.745 . . . . 0.0 111.239 -178.072 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 79' ' ' TRP . . . . . . . . . . . . . 52.1 p-90 -80.94 -8.65 59.8 Favored 'General case' 0 C--N 1.323 -0.562 0 CA-C-N 115.814 -0.63 . . . . 0.0 111.848 177.609 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 80' ' ' LEU . . . . . 0.483 HD22 HG22 ' A' ' 68' ' ' VAL . 23.2 tp -84.45 103.54 13.69 Favored 'General case' 0 N--CA 1.435 -1.192 0 N-CA-C 107.851 -1.166 . . . . 0.0 107.851 -179.872 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -111.35 170.01 8.41 Favored 'General case' 0 CA--C 1.499 -1.016 0 CA-C-N 115.279 -0.873 . . . . 0.0 111.77 -174.147 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 82' ' ' ALA . . . . . 0.635 ' HA ' ' O ' ' A' ' 26' ' ' VAL . . . -158.32 137.21 11.34 Favored 'General case' 0 C--N 1.308 -1.233 0 CA-C-N 114.436 -1.256 . . . . 0.0 110.061 175.276 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 12.3 pt-20 -138.47 146.99 53.4 Favored Pre-proline 0 C--N 1.307 -1.268 0 N-CA-C 105.325 -2.102 . . . . 0.0 105.325 176.989 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 84' ' ' PRO . . . . . 0.644 ' HA ' ' O ' ' A' ' 24' ' ' SER . 73.9 Cg_endo -67.06 135.25 36.84 Favored 'Trans proline' 0 N--CA 1.448 -1.178 0 CA-C-N 120.695 1.284 . . . . 0.0 109.8 176.702 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 85' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 C--O 1.249 1.028 0 O-C-N 124.405 1.065 . . . . 0.0 113.387 -172.464 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 9.1 m . . . . . 0 CA--C 1.536 0.436 0 CA-C-O 120.587 0.232 . . . . 0.0 110.798 . . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . -74.39 -179.56 41.45 Favored Glycine 0 N--CA 1.438 -1.205 0 N-CA-C 110.747 -0.941 . . . . 0.0 110.747 177.743 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 16.1 ptt180 -134.38 143.01 47.37 Favored 'General case' 0 C--N 1.303 -1.456 0 CA-C-O 122.217 1.008 . . . . 0.0 113.201 -177.379 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 9.3 pt-20 -149.77 146.12 27.01 Favored 'General case' 0 C--N 1.301 -1.529 0 N-CA-C 105.65 -1.982 . . . . 0.0 105.65 175.409 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 11' ' ' ASN . . . . . . . . . . . . . 28.2 t-20 -93.42 89.68 6.43 Favored 'General case' 0 C--N 1.3 -1.554 0 N-CA-C 108.377 -0.972 . . . . 0.0 108.377 177.611 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 12' ' ' LEU . . . . . 0.456 ' O ' ' HG ' ' A' ' 12' ' ' LEU . 2.3 pt? -92.5 90.11 7.03 Favored 'General case' 0 C--N 1.305 -1.338 0 CA-C-O 123.503 1.621 . . . . 0.0 107.115 177.479 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 13' ' ' TYR . . . . . . . . . . . . . 33.7 t80 -88.88 89.91 8.19 Favored 'General case' 0 C--N 1.289 -2.031 0 CA-C-N 113.857 -1.52 . . . . 0.0 109.375 -173.898 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 14' ' ' PHE . . . . . . . . . . . . . 76.4 m-85 -122.41 88.25 2.9 Favored 'General case' 0 C--N 1.308 -1.238 0 CA-C-N 115.405 -0.816 . . . . 0.0 109.543 175.011 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 15' ' ' GLN . . . . . 0.445 ' CG ' ' HE2' ' A' ' 62' ' ' LYS . 13.7 mp0 -150.78 89.15 1.52 Allowed 'General case' 0 C--N 1.311 -1.084 0 N-CA-C 103.718 -2.697 . . . . 0.0 103.718 171.84 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . -110.49 -179.79 20.48 Favored Glycine 0 C--N 1.3 -1.439 0 C-N-CA 119.367 -1.397 . . . . 0.0 114.852 -175.403 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 17' ' ' HIS . . . . . . . . . . . . . 76.3 m80 -134.86 102.95 5.42 Favored 'General case' 0 C--N 1.32 -0.68 0 N-CA-C 107.446 -1.316 . . . . 0.0 107.446 179.022 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 18' ' ' MET . . . . . . . . . . . . . 23.4 ttt -150.74 161.84 41.85 Favored 'General case' 0 C--N 1.307 -1.241 0 N-CA-C 107.235 -1.394 . . . . 0.0 107.235 -177.947 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -68.5 93.67 0.51 Allowed 'General case' 0 N--CA 1.45 -0.443 0 N-CA-C 103.09 -2.93 . . . . 0.0 103.09 165.554 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -95.42 165.08 17.49 Favored Pre-proline 0 C--N 1.294 -1.833 0 CA-C-N 114.424 -1.262 . . . . 0.0 112.714 -166.87 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 21' ' ' PRO . . . . . . . . . . . . . 66.9 Cg_exo -47.14 175.86 0.02 OUTLIER 'Trans proline' 0 C--N 1.353 0.809 0 C-N-CA 123.354 2.702 . . . . 0.0 111.962 166.908 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -61.52 28.14 0.01 OUTLIER 'General case' 0 C--N 1.305 -1.327 0 N-CA-C 119.696 3.221 . . . . 0.0 119.696 -168.294 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 39.4 ttp-105 45.12 39.64 4.12 Favored 'General case' 0 C--N 1.312 -1.031 0 C-N-CA 126.267 1.827 . . . . 0.0 112.711 174.114 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 24' ' ' SER . . . . . 0.72 ' O ' ' HA ' ' A' ' 84' ' ' PRO . 24.5 m -144.3 131.66 20.84 Favored 'General case' 0 C--N 1.319 -0.752 0 O-C-N 121.564 -0.71 . . . . 0.0 109.367 -179.597 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 25' ' ' CYS . . . . . . . . . . . . . 93.1 m -108.63 130.39 55.32 Favored 'General case' 0 N--CA 1.431 -1.423 0 N-CA-C 106.932 -1.507 . . . . 0.0 106.932 175.074 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 26' ' ' VAL . . . . . 0.571 ' O ' ' HA ' ' A' ' 82' ' ' ALA . 12.2 t -112.43 119.07 59.39 Favored 'Isoleucine or valine' 0 C--N 1.291 -1.969 0 N-CA-C 106.991 -1.485 . . . . 0.0 106.991 -174.125 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 27' ' ' TYR . . . . . 0.413 ' HA ' ' O ' ' A' ' 81' ' ' ALA . 42.4 m-85 -92.64 129.25 38.62 Favored 'General case' 0 C--N 1.3 -1.571 0 O-C-N 124.367 1.042 . . . . 0.0 111.425 -173.677 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 28' ' ' TYR . . . . . 0.497 ' HA ' ' O ' ' A' ' 37' ' ' VAL . 95.9 m-85 -123.74 138.2 54.56 Favored 'General case' 0 N--CA 1.421 -1.876 0 CA-C-N 114.947 -1.024 . . . . 0.0 110.251 -179.895 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 29' ' ' ASP . . . . . 0.456 ' HB3' ' HB ' ' A' ' 37' ' ' VAL . 4.3 t0 -93.58 102.06 14.25 Favored 'General case' 0 C--N 1.299 -1.621 0 N-CA-C 107.527 -1.286 . . . . 0.0 107.527 174.21 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 30' ' ' GLY . . . . . 0.511 ' O ' ' HA ' ' A' ' 79' ' ' TRP . . . -170.93 128.57 1.64 Allowed Glycine 0 CA--C 1.467 -2.949 0 C-N-CA 119.523 -1.322 . . . . 0.0 110.89 178.241 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 31' ' ' HIS . . . . . . . . . . . . . 4.9 t-80 -78.48 -19.33 53.3 Favored 'General case' 0 C--N 1.29 -2.007 0 N-CA-C 106.778 -1.564 . . . . 0.0 106.778 -179.757 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 8.6 mp -130.74 143.37 49.08 Favored Pre-proline 0 N--CA 1.429 -1.48 0 N-CA-C 106.198 -1.779 . . . . 0.0 106.198 177.074 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 33' ' ' PRO . . . . . 0.601 ' O ' ' HD2' ' A' ' 36' ' ' ARG . 22.7 Cg_endo -66.83 -7.24 17.78 Favored 'Trans proline' 0 CA--C 1.537 0.651 0 C-N-CA 122.522 2.148 . . . . 0.0 111.071 174.271 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -74.83 -54.04 8.03 Favored 'General case' 0 C--N 1.321 -0.642 0 CA-C-O 121.041 0.448 . . . . 0.0 110.552 175.021 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 5.7 p -97.54 22.58 8.73 Favored 'General case' 0 C--N 1.318 -0.765 0 N-CA-C 113.853 1.057 . . . . 0.0 113.853 -173.882 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 36' ' ' ARG . . . . . 0.601 ' HD2' ' O ' ' A' ' 33' ' ' PRO . 0.0 OUTLIER -65.34 153.75 40.28 Favored 'General case' 0 CA--C 1.544 0.75 0 N-CA-C 112.554 0.576 . . . . 0.0 112.554 -178.87 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 37' ' ' VAL . . . . . 0.497 ' O ' ' HA ' ' A' ' 28' ' ' TYR . 60.5 t -131.96 141.85 44.45 Favored 'Isoleucine or valine' 0 C--O 1.216 -0.707 0 N-CA-C 107.054 -1.461 . . . . 0.0 107.054 -179.213 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 53.9 tp -73.84 123.19 23.72 Favored 'General case' 0 C--N 1.306 -1.285 0 C-N-CA 120.119 -0.632 . . . . 0.0 109.889 177.003 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 95.7 mt -91.17 -60.86 1.79 Allowed 'General case' 0 C--N 1.304 -1.406 0 N-CA-C 109.166 -0.679 . . . . 0.0 109.166 173.929 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 40' ' ' MET . . . . . . . . . . . . . 21.2 ptp -172.52 169.54 5.11 Favored 'General case' 0 CA--C 1.508 -0.654 0 CA-C-O 121.49 0.662 . . . . 0.0 111.782 -176.622 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 41' ' ' TYR . . . . . . . . . . . . . 50.8 m-85 -107.69 130.34 54.94 Favored 'General case' 0 C--N 1.307 -1.241 0 CA-C-N 113.699 -1.592 . . . . 0.0 108.903 176.154 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 42.3 t -118.42 134.8 60.88 Favored 'Isoleucine or valine' 0 C--N 1.305 -1.331 0 N-CA-C 106.354 -1.721 . . . . 0.0 106.354 176.364 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 11.4 tpt180 -81.56 129.92 34.86 Favored 'General case' 0 C--N 1.303 -1.414 0 N-CA-C 106.731 -1.581 . . . . 0.0 106.731 -178.815 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 55.5 mt -57.4 120.54 3.79 Favored 'Isoleucine or valine' 0 C--N 1.315 -0.92 0 CA-C-O 122.359 1.076 . . . . 0.0 112.538 -179.918 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . 125.69 -26.4 5.42 Favored Glycine 0 N--CA 1.428 -1.851 0 CA-C-N 112.777 -2.01 . . . . 0.0 108.893 -179.572 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 46' ' ' ASN . . . . . . . . . . . . . 62.9 t30 -101.31 166.24 10.86 Favored 'General case' 0 C--N 1.319 -0.731 0 CA-C-O 122.082 0.944 . . . . 0.0 112.421 -171.661 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 13.3 p -104.28 160.97 14.45 Favored 'General case' 0 C--N 1.297 -1.682 0 CA-C-N 114.01 -1.45 . . . . 0.0 109.724 179.019 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -157.83 146.3 19.12 Favored 'General case' 0 C--N 1.305 -1.335 0 CA-C-N 115.938 -0.574 . . . . 0.0 111.316 176.699 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 4.9 m -99.06 108.83 21.59 Favored 'General case' 0 C--N 1.313 -1.016 0 N-CA-C 107.515 -1.291 . . . . 0.0 107.515 177.758 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 50' ' ' ILE . . . . . . . . . . . . . 6.9 mm -96.85 110.53 25.06 Favored 'Isoleucine or valine' 0 C--N 1.307 -1.274 0 N-CA-C 108.571 -0.9 . . . . 0.0 108.571 -177.608 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 51' ' ' THR . . . . . 0.469 ' HA ' ' O ' ' A' ' 55' ' ' HIS . 66.8 m -92.06 124.73 36.38 Favored 'General case' 0 C--N 1.3 -1.584 0 C-N-CA 117.895 -1.522 . . . . 0.0 108.207 172.531 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -146.41 123.21 11.26 Favored 'General case' 0 C--N 1.303 -1.433 0 N-CA-C 107.118 -1.438 . . . . 0.0 107.118 177.757 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 53' ' ' ARG . . . . . . . . . . . . . 79.3 mtt85 62.77 23.37 13.93 Favored 'General case' 0 N--CA 1.476 0.855 0 C-N-CA 124.025 0.93 . . . . 0.0 111.019 -177.799 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . 79.69 12.93 83.06 Favored Glycine 0 N--CA 1.443 -0.867 0 CA-C-N 115.058 -0.974 . . . . 0.0 112.539 -177.562 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 55' ' ' HIS . . . . . 0.469 ' O ' ' HA ' ' A' ' 51' ' ' THR . 6.9 m170 -103.6 127.46 51.03 Favored 'General case' 0 CA--C 1.508 -0.665 0 N-CA-C 106.526 -1.657 . . . . 0.0 106.526 176.587 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 3.1 mp0 -90.26 116.61 28.37 Favored 'General case' 0 C--N 1.31 -1.146 0 N-CA-C 109.343 -0.614 . . . . 0.0 109.343 170.985 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 57' ' ' PHE . . . . . . . . . . . . . 98.6 m-85 -104.49 105.37 15.45 Favored 'General case' 0 N--CA 1.425 -1.696 0 N-CA-C 105.182 -2.155 . . . . 0.0 105.182 175.772 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 21.0 tt0 -96.56 110.26 22.7 Favored 'General case' 0 C--N 1.297 -1.703 0 C-N-CA 117.885 -1.526 . . . . 0.0 107.294 -179.161 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 59' ' ' VAL . . . . . 0.419 ' HA ' ' HA ' ' A' ' 70' ' ' LEU . 35.5 m -107.43 169.44 2.85 Favored 'Isoleucine or valine' 0 C--N 1.301 -1.532 0 CA-C-N 114.271 -1.331 . . . . 0.0 110.886 -173.799 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 41.9 tt0 -131.2 103.5 6.52 Favored 'General case' 0 N--CA 1.417 -2.097 0 N-CA-C 104.928 -2.249 . . . . 0.0 104.928 172.668 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -78.03 88.17 4.17 Favored 'General case' 0 C--N 1.313 -0.98 0 N-CA-C 106.114 -1.809 . . . . 0.0 106.114 179.149 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 62' ' ' LYS . . . . . 0.445 ' HE2' ' CG ' ' A' ' 15' ' ' GLN . 13.5 ptmt -96.83 -24.86 15.69 Favored 'General case' 0 C--N 1.298 -1.65 0 N-CA-C 117.541 2.423 . . . . 0.0 117.541 -172.802 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 21.9 t70 -135.38 159.4 41.68 Favored 'General case' 0 C--N 1.314 -0.971 0 C-N-CA 119.268 -0.973 . . . . 0.0 110.654 -175.307 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 64' ' ' GLN . . . . . . . . . . . . . 18.4 pt20 -58.56 -20.15 44.18 Favored 'General case' 0 N--CA 1.467 0.419 0 C-N-CA 126.298 1.839 . . . . 0.0 113.292 -178.863 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 65' ' ' ASN . . . . . . . . . . . . . 36.5 m-80 -74.57 -18.05 60.63 Favored 'General case' 0 C--N 1.319 -0.761 0 N-CA-C 109.351 -0.611 . . . . 0.0 109.351 179.957 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 66' ' ' CYS . . . . . . . . . . . . . 99.0 m 53.5 40.79 31.87 Favored 'General case' 0 CA--C 1.51 -0.589 0 CA-C-O 122.336 1.065 . . . . 0.0 111.877 -179.882 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 67' ' ' LYS . . . . . 0.443 ' HA ' ' HE3' ' A' ' 67' ' ' LYS . 0.1 OUTLIER -64.36 134.39 54.52 Favored 'General case' 0 N--CA 1.415 -2.192 0 N-CA-C 105.5 -2.037 . . . . 0.0 105.5 174.249 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 68' ' ' VAL . . . . . . . . . . . . . 6.2 p -77.24 99.51 2.38 Favored 'Isoleucine or valine' 0 C--N 1.295 -1.769 0 CA-C-O 122.292 1.044 . . . . 0.0 109.107 -179.872 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 69' ' ' ILE . . . . . . . . . . . . . 83.0 mt -115.63 118.37 58.56 Favored 'Isoleucine or valine' 0 N--CA 1.427 -1.622 0 N-CA-C 106.641 -1.615 . . . . 0.0 106.641 -179.944 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 70' ' ' LEU . . . . . 0.512 HD22 ' HB2' ' A' ' 76' ' ' ALA . 3.2 mm? -81.22 138.61 35.79 Favored 'General case' 0 N--CA 1.42 -1.975 0 CA-C-N 114.272 -1.331 . . . . 0.0 110.049 178.442 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 71' ' ' THR . . . . . . . . . . . . . 6.2 t -83.36 0.39 46.17 Favored 'General case' 0 C--N 1.287 -2.13 0 CA-C-N 113.477 -1.692 . . . . 0.0 108.912 -175.883 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 72' ' ' ASN . . . . . . . . . . . . . 87.1 m-20 -96.27 -2.98 44.88 Favored 'General case' 0 C--O 1.235 0.295 0 CA-C-N 114.31 -1.314 . . . . 0.0 109.073 177.363 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 73' ' ' GLY . . . . . . . . . . . . . . . 85.72 24.92 40.3 Favored Glycine 0 CA--C 1.498 -1.021 0 N-CA-C 109.843 -1.303 . . . . 0.0 109.843 177.619 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 43.6 mmtm -106.4 165.9 10.93 Favored 'General case' 0 N--CA 1.43 -1.459 0 CA-C-N 113.929 -1.135 . . . . 0.0 109.812 -177.758 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 75' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -118.51 145.88 44.97 Favored 'General case' 0 C--N 1.302 -1.471 0 N-CA-C 103.016 -2.957 . . . . 0.0 103.016 174.82 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 76' ' ' ALA . . . . . 0.512 ' HB2' HD22 ' A' ' 70' ' ' LEU . . . -108.22 156.75 37.89 Favored Pre-proline 0 C--N 1.311 -1.089 0 CA-C-N 118.89 0.768 . . . . 0.0 111.988 -173.59 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 77' ' ' PRO . . . . . . . . . . . . . 37.0 Cg_exo -60.8 164.89 12.83 Favored 'Trans proline' 0 C--N 1.356 0.972 0 C-N-CA 123.408 2.739 . . . . 0.0 112.409 178.589 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 78' ' ' ASP . . . . . . . . . . . . . 19.9 m-20 -59.63 -31.17 69.26 Favored 'General case' 0 CA--C 1.509 -0.607 0 C-N-CA 123.66 0.784 . . . . 0.0 111.541 -177.025 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 79' ' ' TRP . . . . . 0.511 ' HA ' ' O ' ' A' ' 30' ' ' GLY . 68.5 p-90 -72.22 -14.31 61.76 Favored 'General case' 0 N--CA 1.441 -0.908 0 N-CA-C 113.215 0.82 . . . . 0.0 113.215 -178.037 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 30.6 tp -92.75 100.21 12.74 Favored 'General case' 0 N--CA 1.43 -1.46 0 C-N-CA 118.556 -1.257 . . . . 0.0 108.094 178.137 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 81' ' ' ALA . . . . . 0.413 ' O ' ' HA ' ' A' ' 27' ' ' TYR . . . -103.9 160.55 14.71 Favored 'General case' 0 C--N 1.306 -1.297 0 CA-C-N 115.376 -0.829 . . . . 0.0 111.594 -176.34 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 82' ' ' ALA . . . . . 0.571 ' HA ' ' O ' ' A' ' 26' ' ' VAL . . . -154.03 131.21 11.11 Favored 'General case' 0 C--N 1.31 -1.141 0 CA-C-N 114.489 -1.232 . . . . 0.0 109.144 177.086 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 7.5 pt-20 -144.5 146.47 32.66 Favored Pre-proline 0 C--O 1.213 -0.835 0 N-CA-C 108.743 -0.836 . . . . 0.0 108.743 179.618 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 84' ' ' PRO . . . . . 0.72 ' HA ' ' O ' ' A' ' 24' ' ' SER . 18.0 Cg_endo -61.48 132.63 41.68 Favored 'Trans proline' 0 C--O 1.243 0.77 0 C-N-CA 123.266 2.644 . . . . 0.0 114.792 174.027 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 85' ' ' TYR . . . . . 0.488 ' HB2' HG22 ' A' ' 26' ' ' VAL . 10.4 t80 . . . . . 0 C--O 1.249 1.078 0 N-CA-C 105.834 -1.913 . . . . 0.0 105.834 170.215 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 16.2 m . . . . . 0 N--CA 1.442 -0.833 0 N-CA-C 108.32 -0.993 . . . . 0.0 108.32 . . . . . . . . . 0 0 . 1 . 011 nuclear orig full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . -100.86 155.17 19.27 Favored Glycine 0 N--CA 1.428 -1.837 0 N-CA-C 107.921 -2.071 . . . . 0.0 107.921 176.735 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 9' ' ' ARG . . . . . 0.485 ' HD2' ' N ' ' A' ' 9' ' ' ARG . 3.6 mpt_? -99.07 97.4 8.54 Favored 'General case' 0 C--N 1.301 -1.539 0 CA-C-O 121.418 0.627 . . . . 0.0 111.236 -177.669 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 29.9 tt0 -72.22 149.65 44.4 Favored 'General case' 0 C--N 1.312 -1.028 0 N-CA-C 105.776 -1.935 . . . . 0.0 105.776 177.166 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 11' ' ' ASN . . . . . . . . . . . . . 44.4 m-80 -58.78 112.5 1.66 Allowed 'General case' 0 CA--C 1.505 -0.783 0 CA-C-O 121.054 0.454 . . . . 0.0 110.19 -177.503 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 4.4 pp -75.3 154.36 37.43 Favored 'General case' 0 N--CA 1.434 -1.257 0 CA-C-N 114.782 -1.099 . . . . 0.0 112.595 -172.402 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 13' ' ' TYR . . . . . . . . . . . . . 87.4 m-85 -134.33 147.23 50.52 Favored 'General case' 0 C--N 1.292 -1.914 0 N-CA-C 104.529 -2.397 . . . . 0.0 104.529 178.923 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 14' ' ' PHE . . . . . . . . . . . . 0.259 66.5 m-85 -74.22 122.85 23.46 Favored 'General case' 0 C--N 1.302 -1.495 0 C-N-CA 118.941 -1.104 . . . . 0.0 111.058 -177.142 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 46.6 mt-30 -63.96 133.91 54.09 Favored 'General case' 0 N--CA 1.436 -1.164 0 CA-C-N 112.813 -1.994 . . . . 0.0 112.415 -173.065 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . -63.33 -179.69 5.32 Favored Glycine 0 N--CA 1.448 -0.535 0 CA-C-N 113.726 -1.579 . . . . 0.0 112.277 177.425 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 17' ' ' HIS . . . . . . . . . . . . . 69.1 m-70 -29.61 108.26 0.04 OUTLIER 'General case' 0 N--CA 1.478 0.965 0 C-N-CA 125.842 1.657 . . . . 0.0 115.122 -171.831 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 18' ' ' MET . . . . . 0.402 ' HE1' ' HB3' ' A' ' 83' ' ' GLU . 71.2 mmm -84.06 178.36 7.88 Favored 'General case' 0 C--O 1.245 0.819 0 CA-C-N 113.898 -1.501 . . . . 0.0 106.957 179.61 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 19' ' ' ALA . . . . . 0.456 ' HB1' ' O ' ' A' ' 84' ' ' PRO . . . -73.97 178.54 4.88 Favored 'General case' 0 C--N 1.303 -1.448 0 N-CA-C 114.17 1.174 . . . . 0.0 114.17 -176.487 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -93.57 141.88 24.45 Favored Pre-proline 0 C--N 1.312 -1.038 0 CA-C-N 114.627 -1.17 . . . . 0.0 111.129 -177.436 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 21' ' ' PRO . . . . . . . . . . . . . 98.8 Cg_exo -49.18 118.08 3.32 Favored 'Trans proline' 0 C--N 1.361 1.186 0 C-N-CA 124.134 3.222 . . . . 0.0 113.471 179.472 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -136.48 32.73 2.78 Favored 'General case' 0 C--N 1.326 -0.456 0 CA-C-N 115.439 -0.801 . . . . 0.0 112.576 -172.45 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 23' ' ' ARG . . . . . 0.532 ' C ' HG12 ' A' ' 44' ' ' ILE . 18.4 mmt180 58.54 26.06 13.89 Favored 'General case' 0 C--N 1.317 -0.807 0 N-CA-C 115.557 1.688 . . . . 0.0 115.557 177.993 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 24' ' ' SER . . . . . 0.608 ' O ' ' HA ' ' A' ' 84' ' ' PRO . 68.0 m -158.31 136.25 10.6 Favored 'General case' 0 C--N 1.299 -1.607 0 N-CA-C 107.979 -1.119 . . . . 0.0 107.979 174.274 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 25' ' ' CYS . . . . . . . . . . . . . 96.5 m -107.55 131.17 54.63 Favored 'General case' 0 N--CA 1.437 -1.124 0 N-CA-C 104.077 -2.564 . . . . 0.0 104.077 175.436 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 26' ' ' VAL . . . . . 0.594 ' O ' ' HA ' ' A' ' 82' ' ' ALA . 3.5 t -111.51 124.27 68.12 Favored 'Isoleucine or valine' 0 C--N 1.284 -2.267 0 N-CA-C 107.322 -1.362 . . . . 0.0 107.322 -172.811 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 27' ' ' TYR . . . . . 0.444 ' HA ' ' O ' ' A' ' 81' ' ' ALA . 15.7 m-85 -94.71 130.42 41.23 Favored 'General case' 0 C--N 1.295 -1.788 0 O-C-N 124.41 1.068 . . . . 0.0 110.355 -173.689 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 28' ' ' TYR . . . . . 0.455 ' HA ' ' O ' ' A' ' 37' ' ' VAL . 84.6 m-85 -127.41 153.76 45.86 Favored 'General case' 0 N--CA 1.422 -1.86 0 CA-C-N 114.249 -1.341 . . . . 0.0 110.381 -177.188 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 29' ' ' ASP . . . . . 0.417 ' HB3' ' HB ' ' A' ' 37' ' ' VAL . 3.4 t70 -94.76 103.97 15.88 Favored 'General case' 0 C--N 1.293 -1.885 0 N-CA-C 103.418 -2.808 . . . . 0.0 103.418 170.125 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . -144.03 127.77 3.1 Favored Glycine 0 CA--C 1.484 -1.846 0 C-N-CA 118.294 -1.907 . . . . 0.0 114.14 -176.439 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 31' ' ' HIS . . . . . . . . . . . . . 63.8 m80 -102.74 -39.88 6.83 Favored 'General case' 0 C--N 1.292 -1.9 0 CA-C-N 112.652 -1.774 . . . . 0.0 108.65 179.818 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 32' ' ' LEU . . . . . 0.517 ' HB3' ' OG1' ' A' ' 35' ' ' THR . 8.2 tt -131.29 149.05 72.53 Favored Pre-proline 0 N--CA 1.42 -1.969 0 N-CA-C 104.219 -2.511 . . . . 0.0 104.219 -179.211 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 33' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -54.41 -13.99 6.22 Favored 'Trans proline' 0 N--CA 1.492 1.409 0 C-N-CA 124.279 3.32 . . . . 0.0 116.563 -176.169 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -95.0 -25.43 16.5 Favored 'General case' 0 C--N 1.31 -1.137 0 CA-C-O 122.114 0.959 . . . . 0.0 110.359 179.202 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 35' ' ' THR . . . . . 0.517 ' OG1' ' HB3' ' A' ' 32' ' ' LEU . 0.2 OUTLIER -95.27 7.53 45.89 Favored 'General case' 0 C--N 1.304 -1.4 0 CA-C-N 115.019 -0.991 . . . . 0.0 113.2 -169.724 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 9.7 ptt180 -64.86 110.99 2.61 Favored 'General case' 0 C--N 1.322 -0.611 0 CA-C-O 121.541 0.686 . . . . 0.0 111.81 178.353 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 37' ' ' VAL . . . . . 0.455 ' O ' ' HA ' ' A' ' 28' ' ' TYR . 40.2 t -94.92 129.78 44.62 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.821 0 N-CA-C 107.815 -1.18 . . . . 0.0 107.815 -175.923 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 2.7 tm? -69.69 108.02 3.71 Favored 'General case' 0 C--N 1.311 -1.09 0 O-C-N 123.863 0.727 . . . . 0.0 109.151 -177.518 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 92.8 mt -91.55 -61.06 1.72 Allowed 'General case' 0 C--N 1.318 -0.768 0 CA-C-O 121.068 0.461 . . . . 0.0 111.348 177.746 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 40' ' ' MET . . . . . . . . . . . . . 56.7 tpp -156.28 143.34 18.94 Favored 'General case' 0 C--N 1.322 -0.613 0 CA-C-N 116.048 -0.524 . . . . 0.0 111.973 -173.281 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 41' ' ' TYR . . . . . . . . . . . . . 84.8 m-85 -93.29 125.43 37.89 Favored 'General case' 0 C--N 1.316 -0.848 0 N-CA-C 107.303 -1.369 . . . . 0.0 107.303 171.681 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 36.0 t -119.02 116.96 52.66 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.836 0 N-CA-C 108.927 -0.768 . . . . 0.0 108.927 178.624 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 29.6 ttt-85 -67.67 144.55 55.44 Favored 'General case' 0 C--N 1.315 -0.904 0 N-CA-C 108.539 -0.911 . . . . 0.0 108.539 179.375 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 44' ' ' ILE . . . . . 0.532 HG12 ' C ' ' A' ' 23' ' ' ARG . 48.3 mm -65.31 123.85 19.04 Favored 'Isoleucine or valine' 0 C--N 1.31 -1.132 0 N-CA-C 107.881 -1.155 . . . . 0.0 107.881 177.288 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . 105.64 7.06 37.32 Favored Glycine 0 C--N 1.295 -1.749 0 CA-C-N 114.466 -1.243 . . . . 0.0 110.186 178.824 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 46' ' ' ASN . . . . . . . . . . . . . 54.2 t30 -127.89 159.9 33.48 Favored 'General case' 0 C--N 1.312 -1.048 0 CA-C-O 121.64 0.733 . . . . 0.0 110.218 -178.157 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 42.2 p -110.85 154.55 23.85 Favored 'General case' 0 C--N 1.292 -1.899 0 N-CA-C 107.7 -1.222 . . . . 0.0 107.7 177.252 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -147.06 124.73 11.8 Favored 'General case' 0 C--N 1.296 -1.759 0 C-N-CA 119.941 -0.704 . . . . 0.0 112.369 -179.64 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 3.6 m -67.7 99.94 0.85 Allowed 'General case' 0 C--N 1.301 -1.513 0 CA-C-N 113.621 -1.627 . . . . 0.0 108.925 172.459 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 50' ' ' ILE . . . . . 0.443 ' O ' ' HA ' ' A' ' 56' ' ' GLU . 36.9 mm -96.24 110.37 24.47 Favored 'Isoleucine or valine' 0 C--N 1.309 -1.179 0 N-CA-C 108.272 -1.01 . . . . 0.0 108.272 -179.153 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 51' ' ' THR . . . . . 0.447 ' HA ' ' O ' ' A' ' 55' ' ' HIS . 12.1 m -92.95 124.08 36.67 Favored 'General case' 0 C--N 1.291 -1.949 0 C-N-CA 117.914 -1.514 . . . . 0.0 107.097 175.197 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -144.78 121.67 11.3 Favored 'General case' 0 C--N 1.305 -1.341 0 N-CA-C 106.643 -1.614 . . . . 0.0 106.643 177.594 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 53' ' ' ARG . . . . . 0.496 ' HG2' ' O ' ' A' ' 53' ' ' ARG . 70.2 ttt180 60.77 31.58 20.1 Favored 'General case' 0 N--CA 1.442 -0.857 0 CA-C-O 123.398 1.57 . . . . 0.0 109.804 -178.52 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . 82.82 -2.01 87.17 Favored Glycine 0 C--N 1.308 -1.007 0 CA-C-N 114.257 -1.338 . . . . 0.0 113.958 178.886 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 55' ' ' HIS . . . . . 0.447 ' O ' ' HA ' ' A' ' 51' ' ' THR . 72.1 m-70 -99.97 133.37 44.45 Favored 'General case' 0 CA--C 1.501 -0.929 0 N-CA-C 108.056 -1.09 . . . . 0.0 108.056 178.769 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 56' ' ' GLU . . . . . 0.443 ' HA ' ' O ' ' A' ' 50' ' ' ILE . 23.2 mp0 -91.96 129.95 37.81 Favored 'General case' 0 N--CA 1.429 -1.499 0 N-CA-C 107.22 -1.4 . . . . 0.0 107.22 172.462 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 57' ' ' PHE . . . . . 0.421 ' HB3' HD11 ' A' ' 70' ' ' LEU . 88.5 m-85 -113.21 103.39 11.29 Favored 'General case' 0 N--CA 1.413 -2.275 0 N-CA-C 103.977 -2.601 . . . . 0.0 103.977 174.675 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 20.8 tp10 -80.71 109.53 15.34 Favored 'General case' 0 C--N 1.305 -1.349 0 N-CA-C 105.023 -2.214 . . . . 0.0 105.023 178.243 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 59' ' ' VAL . . . . . 0.49 ' HA ' ' HA ' ' A' ' 70' ' ' LEU . 15.9 m -97.81 156.43 3.58 Favored 'Isoleucine or valine' 0 C--N 1.298 -1.639 0 N-CA-C 108.591 -0.892 . . . . 0.0 108.591 -176.448 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 60' ' ' GLU . . . . . 0.486 ' HB2' ' HB ' ' A' ' 71' ' ' THR . 37.6 tt0 -122.66 100.49 6.94 Favored 'General case' 0 N--CA 1.419 -1.995 0 N-CA-C 106.859 -1.534 . . . . 0.0 106.859 175.846 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -84.59 86.66 7.28 Favored 'General case' 0 N--CA 1.432 -1.326 0 N-CA-C 104.905 -2.257 . . . . 0.0 104.905 176.021 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 62' ' ' LYS . . . . . 0.508 ' HB2' ' HZ3' ' A' ' 62' ' ' LYS . 0.0 OUTLIER -72.72 -41.22 65.44 Favored 'General case' 0 C--N 1.303 -1.416 0 CA-C-N 113.687 -1.597 . . . . 0.0 113.118 -177.493 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 63' ' ' ASP . . . . . 0.467 ' C ' ' H ' ' A' ' 65' ' ' ASN . 19.5 t70 -150.94 177.59 9.99 Favored 'General case' 0 C--N 1.313 -1.015 0 N-CA-C 106.933 -1.506 . . . . 0.0 106.933 -176.96 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 64' ' ' GLN . . . . . . . . . . . . . 14.8 pt20 -73.06 30.34 0.06 Allowed 'General case' 0 N--CA 1.47 0.559 0 C-N-CA 125.264 1.426 . . . . 0.0 112.99 -179.242 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 65' ' ' ASN . . . . . 0.467 ' H ' ' C ' ' A' ' 63' ' ' ASP . 10.3 m120 -68.32 -41.72 80.41 Favored 'General case' 0 C--N 1.318 -0.766 0 N-CA-C 105.81 -1.922 . . . . 0.0 105.81 175.644 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 66' ' ' CYS . . . . . 0.548 ' O ' ' HB2' ' A' ' 82' ' ' ALA 0.272 81.3 m 52.19 30.26 7.55 Favored 'General case' 0 C--O 1.224 -0.27 0 C-N-CA 126.435 1.894 . . . . 0.0 114.928 -177.608 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 5.1 mptp? -83.96 162.98 20.26 Favored 'General case' 0 C--N 1.3 -1.544 0 N-CA-C 107.231 -1.396 . . . . 0.0 107.231 165.231 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 68' ' ' VAL . . . . . 0.441 HG21 HD23 ' A' ' 80' ' ' LEU . 9.2 p -84.56 98.62 6.09 Favored 'Isoleucine or valine' 0 C--N 1.283 -2.319 0 C-N-CA 117.701 -1.6 . . . . 0.0 107.958 175.516 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 69' ' ' ILE . . . . . . . . . . . . . 97.6 mt -115.49 118.43 58.76 Favored 'Isoleucine or valine' 0 N--CA 1.423 -1.817 0 N-CA-C 105.403 -2.073 . . . . 0.0 105.403 -179.074 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 70' ' ' LEU . . . . . 0.49 ' HA ' ' HA ' ' A' ' 59' ' ' VAL . 2.7 mm? -82.4 147.26 28.89 Favored 'General case' 0 N--CA 1.408 -2.564 0 C-N-CA 119.026 -1.069 . . . . 0.0 108.995 177.57 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 71' ' ' THR . . . . . 0.486 ' HB ' ' HB2' ' A' ' 60' ' ' GLU . 14.6 t -64.13 -18.44 64.44 Favored 'General case' 0 C--N 1.296 -1.748 0 CA-C-N 114.128 -1.396 . . . . 0.0 110.966 -176.237 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 72' ' ' ASN . . . . . . . . . . . . . 25.5 p30 -90.59 -6.02 55.17 Favored 'General case' 0 C--N 1.325 -0.498 0 C-N-CA 123.644 0.777 . . . . 0.0 112.273 -179.245 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 73' ' ' GLY . . . . . . . . . . . . . . . 99.76 0.44 56.43 Favored Glycine 0 CA--C 1.502 -0.774 0 C-N-CA 120.623 -0.799 . . . . 0.0 112.732 173.916 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 91.3 mttt -87.28 174.51 8.54 Favored 'General case' 0 N--CA 1.436 -1.173 0 CA-C-O 122.192 0.996 . . . . 0.0 112.755 179.075 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 75' ' ' GLN . . . . . . . . . . . . . 46.5 mt-30 -104.9 152.46 22.62 Favored 'General case' 0 C--N 1.311 -1.09 0 CA-C-N 113.553 -1.658 . . . . 0.0 106.937 171.086 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 76' ' ' ALA . . . . . 0.482 ' HB1' HD21 ' A' ' 70' ' ' LEU . . . -108.41 171.26 4.67 Favored Pre-proline 0 C--N 1.29 -1.997 0 N-CA-C 105.357 -2.09 . . . . 0.0 105.357 175.021 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 77' ' ' PRO . . . . . . . . . . . . . 52.4 Cg_exo -56.65 148.64 63.59 Favored 'Trans proline' 0 C--N 1.355 0.88 0 C-N-CA 122.072 1.848 . . . . 0.0 110.531 176.363 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 78' ' ' ASP . . . . . . . . . . . . . 13.5 m-20 -69.68 -10.61 58.98 Favored 'General case' 0 C--N 1.318 -0.769 0 N-CA-C 112.918 0.71 . . . . 0.0 112.918 -174.552 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 79' ' ' TRP . . . . . . . . . . . . . 56.0 p-90 -82.17 -13.99 56.32 Favored 'General case' 0 N--CA 1.449 -0.479 0 CA-C-O 121.394 0.616 . . . . 0.0 110.133 175.939 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 80' ' ' LEU . . . . . 0.441 HD23 HG21 ' A' ' 68' ' ' VAL . 16.3 tp -85.73 95.38 9.37 Favored 'General case' 0 N--CA 1.428 -1.564 0 N-CA-C 105.501 -2.037 . . . . 0.0 105.501 178.416 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 81' ' ' ALA . . . . . 0.444 ' O ' ' HA ' ' A' ' 27' ' ' TYR . . . -98.08 165.77 11.74 Favored 'General case' 0 C--N 1.301 -1.519 0 CA-C-N 114.65 -1.159 . . . . 0.0 111.596 -173.19 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 82' ' ' ALA . . . . . 0.594 ' HA ' ' O ' ' A' ' 26' ' ' VAL . . . -147.01 140.32 25.43 Favored 'General case' 0 C--N 1.297 -1.702 0 CA-C-N 114.32 -1.309 . . . . 0.0 108.753 174.973 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 83' ' ' GLU . . . . . 0.402 ' HB3' ' HE1' ' A' ' 18' ' ' MET . 16.4 pt-20 -148.92 145.68 20.13 Favored Pre-proline 0 C--N 1.302 -1.465 0 N-CA-C 105.422 -2.066 . . . . 0.0 105.422 173.465 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 84' ' ' PRO . . . . . 0.608 ' HA ' ' O ' ' A' ' 24' ' ' SER . 50.2 Cg_endo -69.64 144.49 54.82 Favored 'Trans proline' 0 N--CA 1.45 -1.084 0 C-N-CA 121.363 1.375 . . . . 0.0 111.923 -178.514 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 85' ' ' TYR . . . . . . . . . . . . 0.345 0.1 OUTLIER . . . . . 0 C--O 1.245 0.847 0 N-CA-C 117.274 2.324 . . . . 0.0 117.274 -170.865 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 12.6 p . . . . . 0 C--O 1.239 0.532 0 CA-C-O 120.72 0.295 . . . . 0.0 110.863 . . . . . . . . . 0 0 . 1 . 012 nuclear orig full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . -91.86 114.42 4.55 Favored Glycine 0 N--CA 1.44 -1.095 0 N-CA-C 110.716 -0.954 . . . . 0.0 110.716 179.074 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 9' ' ' ARG . . . . . 0.654 ' NE ' ' HA ' ' A' ' 9' ' ' ARG . 0.7 OUTLIER -128.41 99.87 5.57 Favored 'General case' 0 N--CA 1.433 -1.305 0 N-CA-C 114.013 1.116 . . . . 0.0 114.013 178.306 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 1.7 mp0 -77.35 94.63 4.24 Favored 'General case' 0 C--N 1.296 -1.728 0 CA-C-N 113.133 -1.849 . . . . 0.0 106.716 175.207 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 11' ' ' ASN . . . . . . . . . . . . . 18.0 m120 -94.6 163.53 13.35 Favored 'General case' 0 C--N 1.303 -1.416 0 N-CA-C 106.787 -1.56 . . . . 0.0 106.787 178.907 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 5.3 mp -79.99 99.27 7.56 Favored 'General case' 0 C--N 1.301 -1.541 0 CA-C-O 123.089 1.424 . . . . 0.0 112.903 -175.937 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 13' ' ' TYR . . . . . . . . . . . . . 75.2 m-85 -126.51 -177.25 3.92 Favored 'General case' 0 C--N 1.301 -1.515 0 N-CA-C 102.467 -3.16 . . . . 0.0 102.467 174.901 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 14' ' ' PHE . . . . . . . . . . . . . 65.6 t80 -53.89 130.49 37.44 Favored 'General case' 0 C--O 1.247 0.922 0 N-CA-C 105.964 -1.865 . . . . 0.0 105.964 171.558 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 97.7 mt-30 -28.74 117.29 0.11 Allowed 'General case' 0 C--O 1.246 0.901 0 N-CA-C 118.27 2.693 . . . . 0.0 118.27 -165.401 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . -72.24 135.81 22.98 Favored Glycine 0 N--CA 1.43 -1.743 0 N-CA-C 105.889 -2.884 . . . . 0.0 105.889 171.061 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 17' ' ' HIS . . . . . . . . . . . . . 40.6 m-70 -73.54 125.26 27.55 Favored 'General case' 0 C--N 1.302 -1.461 0 CA-C-O 121.133 0.492 . . . . 0.0 111.064 -171.417 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 18' ' ' MET . . . . . . . . . . . . . 90.6 mtp -80.82 172.72 13.39 Favored 'General case' 0 N--CA 1.436 -1.143 0 N-CA-C 108.398 -0.964 . . . . 0.0 108.398 174.414 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -72.03 135.47 46.36 Favored 'General case' 0 C--N 1.292 -1.935 0 N-CA-C 108.33 -0.989 . . . . 0.0 108.33 -179.913 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -75.04 149.03 84.88 Favored Pre-proline 0 C--N 1.303 -1.43 0 CA-C-N 114.801 -1.09 . . . . 0.0 112.58 -174.274 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 21' ' ' PRO . . . . . . . . . . . . . 78.4 Cg_exo -48.36 119.38 4.03 Favored 'Trans proline' 0 C--N 1.358 1.047 0 C-N-CA 123.496 2.797 . . . . 0.0 109.78 173.794 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -138.69 31.84 2.26 Favored 'General case' 0 C--N 1.311 -1.099 0 C-N-CA 120.287 -0.565 . . . . 0.0 112.443 -172.116 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 23' ' ' ARG . . . . . 0.528 ' C ' HG12 ' A' ' 44' ' ' ILE . 36.1 mtm-85 55.82 27.89 11.58 Favored 'General case' 0 C--N 1.313 -1.003 0 N-CA-C 113.138 0.792 . . . . 0.0 113.138 -178.164 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 24' ' ' SER . . . . . 0.607 ' O ' ' HA ' ' A' ' 84' ' ' PRO . 67.2 m -153.52 138.01 16.8 Favored 'General case' 0 C--N 1.318 -0.795 0 O-C-N 121.702 -0.624 . . . . 0.0 110.472 177.544 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 25' ' ' CYS . . . . . . . . . . . . . 66.8 m -108.17 131.42 54.67 Favored 'General case' 0 CA--C 1.5 -0.966 0 N-CA-C 106.169 -1.789 . . . . 0.0 106.169 175.929 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 26' ' ' VAL . . . . . 0.542 ' O ' ' HA ' ' A' ' 82' ' ' ALA . 6.3 t -117.01 123.95 72.43 Favored 'Isoleucine or valine' 0 C--N 1.285 -2.197 0 N-CA-C 107.09 -1.448 . . . . 0.0 107.09 -170.716 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 27' ' ' TYR . . . . . . . . . . . . . 64.2 m-85 -94.66 135.41 36.16 Favored 'General case' 0 C--N 1.301 -1.523 0 CA-C-N 115.582 -0.735 . . . . 0.0 111.789 -171.909 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 28' ' ' TYR . . . . . 0.502 ' HA ' ' O ' ' A' ' 37' ' ' VAL . 63.3 m-85 -128.42 141.37 51.43 Favored 'General case' 0 N--CA 1.428 -1.548 0 CA-C-N 114.568 -1.196 . . . . 0.0 110.445 -178.613 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 29' ' ' ASP . . . . . 0.43 ' HB3' ' HB ' ' A' ' 37' ' ' VAL . 4.4 t70 -94.83 102.03 13.87 Favored 'General case' 0 C--N 1.302 -1.491 0 N-CA-C 106.442 -1.688 . . . . 0.0 106.442 175.939 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . -172.46 137.12 4.07 Favored Glycine 0 N--CA 1.431 -1.699 0 C-N-CA 120.384 -0.912 . . . . 0.0 112.543 176.626 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 31' ' ' HIS . . . . . . . . . . . . . 87.9 m-70 -81.79 -26.23 34.59 Favored 'General case' 0 C--N 1.3 -1.584 0 N-CA-C 108.263 -1.014 . . . . 0.0 108.263 175.634 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 8.7 mp -122.44 149.32 54.95 Favored Pre-proline 0 N--CA 1.438 -1.054 0 N-CA-C 107.419 -1.326 . . . . 0.0 107.419 179.143 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 33' ' ' PRO . . . . . . . . . . . . . 34.5 Cg_endo -68.39 -6.86 18.57 Favored 'Trans proline' 0 CA--C 1.537 0.651 0 C-N-CA 122.341 2.027 . . . . 0.0 110.618 174.97 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -88.46 -11.99 44.36 Favored 'General case' 0 N--CA 1.445 -0.684 0 CA-C-N 114.901 -1.045 . . . . 0.0 111.059 178.483 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 2.6 p -131.65 18.01 4.75 Favored 'General case' 0 C--N 1.323 -0.545 0 N-CA-C 112.376 0.509 . . . . 0.0 112.376 -178.427 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 14.3 ptt180 -64.18 124.7 22.34 Favored 'General case' 0 C--N 1.321 -0.641 0 CA-C-N 115.367 -0.833 . . . . 0.0 110.886 177.61 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 37' ' ' VAL . . . . . 0.502 ' O ' ' HA ' ' A' ' 28' ' ' TYR . 60.8 t -111.85 125.67 69.18 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 N-CA-C 108.872 -0.788 . . . . 0.0 108.872 -179.715 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 3.2 tm? -60.05 111.59 1.56 Allowed 'General case' 0 C--N 1.321 -0.646 0 C-N-CA 123.597 0.759 . . . . 0.0 110.978 178.797 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 96.3 mt -90.93 -61.62 1.63 Allowed 'General case' 0 C--N 1.316 -0.883 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.591 177.295 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 40' ' ' MET . . . . . . . . . . . . . 22.6 ptm -171.65 164.52 6.69 Favored 'General case' 0 CA--C 1.514 -0.411 0 CA-C-N 115.738 -0.664 . . . . 0.0 112.266 -174.883 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 41' ' ' TYR . . . . . . . . . . . . . 87.7 m-85 -107.53 133.73 51.58 Favored 'General case' 0 C--N 1.31 -1.148 0 C-N-CA 125.476 1.51 . . . . 0.0 110.218 -177.459 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 47.0 t -126.27 138.72 53.76 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.774 0 N-CA-C 107.38 -1.341 . . . . 0.0 107.38 176.155 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 26.8 ttt85 -83.94 147.36 27.52 Favored 'General case' 0 C--N 1.302 -1.493 0 C-N-CA 120.168 -0.613 . . . . 0.0 109.535 179.815 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 44' ' ' ILE . . . . . 0.528 HG12 ' C ' ' A' ' 23' ' ' ARG . 24.0 mm -66.41 128.5 29.58 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.856 0 N-CA-C 108.896 -0.779 . . . . 0.0 108.896 179.141 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . 94.61 10.13 58.21 Favored Glycine 0 C--N 1.301 -1.38 0 N-CA-C 110.177 -1.169 . . . . 0.0 110.177 177.472 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 46' ' ' ASN . . . . . . . . . . . . . 54.2 t30 -129.29 160.42 33.04 Favored 'General case' 0 N--CA 1.43 -1.454 0 N-CA-C 108.771 -0.826 . . . . 0.0 108.771 -178.843 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 14.0 p -110.62 156.49 20.89 Favored 'General case' 0 C--N 1.284 -2.277 0 CA-C-N 114.521 -1.218 . . . . 0.0 110.574 -178.06 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -159.86 133.12 6.91 Favored 'General case' 0 C--N 1.309 -1.157 0 CA-C-N 115.33 -0.85 . . . . 0.0 112.953 177.101 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 3.6 m -76.1 114.06 14.32 Favored 'General case' 0 C--N 1.312 -1.04 0 CA-C-N 114.992 -1.004 . . . . 0.0 108.322 172.983 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 50' ' ' ILE . . . . . 0.497 ' O ' ' HA ' ' A' ' 56' ' ' GLU . 40.9 mm -95.89 110.73 24.89 Favored 'Isoleucine or valine' 0 C--N 1.308 -1.237 0 N-CA-C 107.883 -1.154 . . . . 0.0 107.883 179.71 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 19.2 m -93.42 123.05 36.46 Favored 'General case' 0 C--N 1.292 -1.924 0 N-CA-C 105.3 -2.111 . . . . 0.0 105.3 172.496 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -148.25 121.86 9.19 Favored 'General case' 0 N--CA 1.427 -1.613 0 N-CA-C 109.049 -0.723 . . . . 0.0 109.049 179.991 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 53' ' ' ARG . . . . . 0.49 ' HD2' ' CZ2' ' A' ' 79' ' ' TRP . 83.1 mtt180 63.22 25.65 14.87 Favored 'General case' 0 C--N 1.323 -0.562 0 C-N-CA 125.521 1.528 . . . . 0.0 111.427 -179.882 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . 86.69 14.03 66.17 Favored Glycine 0 N--CA 1.44 -1.04 0 CA-C-N 115.06 -0.973 . . . . 0.0 112.904 179.458 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 55' ' ' HIS . . . . . . . . . . . . . 68.4 m-70 -122.91 131.77 53.88 Favored 'General case' 0 C--N 1.318 -0.771 0 N-CA-C 108.825 -0.806 . . . . 0.0 108.825 176.752 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 56' ' ' GLU . . . . . 0.497 ' HA ' ' O ' ' A' ' 50' ' ' ILE . 4.4 mp0 -97.97 127.61 44.02 Favored 'General case' 0 N--CA 1.438 -1.039 0 N-CA-C 108.718 -0.845 . . . . 0.0 108.718 178.729 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 57' ' ' PHE . . . . . . . . . . . . . 53.3 m-85 -117.32 113.3 21.94 Favored 'General case' 0 N--CA 1.424 -1.754 0 N-CA-C 106.734 -1.58 . . . . 0.0 106.734 179.242 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 5.0 tp10 -78.81 109.52 13.14 Favored 'General case' 0 C--N 1.31 -1.112 0 N-CA-C 106.12 -1.808 . . . . 0.0 106.12 177.673 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 59' ' ' VAL . . . . . 0.46 HG12 HD11 ' A' ' 70' ' ' LEU . 10.2 m -105.87 162.29 5.06 Favored 'Isoleucine or valine' 0 C--N 1.295 -1.77 0 N-CA-C 108.95 -0.759 . . . . 0.0 108.95 -177.719 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 60' ' ' GLU . . . . . 0.489 ' HB2' ' HB ' ' A' ' 71' ' ' THR . 39.0 tt0 -129.73 121.38 26.77 Favored 'General case' 0 N--CA 1.416 -2.164 0 N-CA-C 105.099 -2.186 . . . . 0.0 105.099 172.435 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -76.51 95.81 3.96 Favored 'General case' 0 C--N 1.306 -1.322 0 N-CA-C 107.303 -1.369 . . . . 0.0 107.303 177.51 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 74.5 mmtt -71.0 -58.81 3.21 Favored 'General case' 0 C--N 1.317 -0.812 0 CA-C-N 113.816 -1.538 . . . . 0.0 113.64 -175.096 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 22.9 t70 -144.54 161.29 39.47 Favored 'General case' 0 C--N 1.301 -1.54 0 CA-C-N 115.788 -0.642 . . . . 0.0 109.461 -171.75 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 64' ' ' GLN . . . . . 0.469 ' OE1' HG21 ' A' ' 44' ' ' ILE . 1.0 OUTLIER -71.35 -0.46 10.2 Favored 'General case' 0 C--O 1.239 0.501 0 C-N-CA 124.407 1.083 . . . . 0.0 111.39 -176.435 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 65' ' ' ASN . . . . . . . . . . . . . 47.3 t-20 -71.54 -26.62 62.72 Favored 'General case' 0 C--N 1.318 -0.781 0 N-CA-C 106.589 -1.634 . . . . 0.0 106.589 173.064 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 66' ' ' CYS . . . . . . . . . . . . 0.321 99.4 m 57.0 55.33 6.17 Favored 'General case' 0 N--CA 1.445 -0.714 0 N-CA-C 116.385 1.995 . . . . 0.0 116.385 175.568 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -89.29 148.13 23.73 Favored 'General case' 0 CA--C 1.487 -1.462 0 N-CA-C 106.836 -1.542 . . . . 0.0 106.836 169.945 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 68' ' ' VAL . . . . . . . . . . . . . 5.3 p -76.97 99.74 2.33 Favored 'Isoleucine or valine' 0 C--N 1.289 -2.046 0 CA-C-O 122.24 1.019 . . . . 0.0 109.148 -179.433 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 69' ' ' ILE . . . . . . . . . . . . . 85.3 mt -121.12 119.18 58.53 Favored 'Isoleucine or valine' 0 N--CA 1.425 -1.718 0 N-CA-C 107.245 -1.391 . . . . 0.0 107.245 -177.124 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 70' ' ' LEU . . . . . 0.562 HD21 ' O ' ' A' ' 74' ' ' LYS . 2.7 mm? -80.57 145.72 31.62 Favored 'General case' 0 N--CA 1.406 -2.634 0 CA-C-N 113.998 -1.455 . . . . 0.0 108.89 -177.765 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 71' ' ' THR . . . . . 0.489 ' HB ' ' HB2' ' A' ' 60' ' ' GLU . 5.4 t -78.33 -10.7 59.79 Favored 'General case' 0 C--N 1.28 -2.446 0 CA-C-N 113.996 -1.456 . . . . 0.0 110.567 -175.085 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 72' ' ' ASN . . . . . . . . . . . . . 18.6 p30 -96.0 -16.75 21.47 Favored 'General case' 0 C--N 1.324 -0.507 0 CA-C-N 115.921 -0.581 . . . . 0.0 111.826 -178.32 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 73' ' ' GLY . . . . . . . . . . . . . . . 100.62 9.24 47.22 Favored Glycine 0 CA--C 1.506 -0.473 0 N-CA-C 111.584 -0.607 . . . . 0.0 111.584 173.391 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 74' ' ' LYS . . . . . 0.562 ' O ' HD21 ' A' ' 70' ' ' LEU . 70.6 mmtt -92.4 171.9 8.74 Favored 'General case' 0 C--N 1.308 -1.212 0 N-CA-C 109.228 -0.656 . . . . 0.0 109.228 -179.298 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 75' ' ' GLN . . . . . . . . . . . . . 21.4 mp0 -97.39 150.41 21.04 Favored 'General case' 0 C--N 1.295 -1.802 0 CA-C-N 115.554 -0.748 . . . . 0.0 110.282 178.52 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 76' ' ' ALA . . . . . 0.472 ' HB1' HD23 ' A' ' 70' ' ' LEU . . . -108.17 149.71 39.53 Favored Pre-proline 0 C--N 1.301 -1.507 0 N-CA-C 106.761 -1.57 . . . . 0.0 106.761 175.033 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 77' ' ' PRO . . . . . . . . . . . . . 85.2 Cg_exo -52.9 159.8 4.77 Favored 'Trans proline' 0 N--CA 1.474 0.343 0 C-N-CA 124.156 3.238 . . . . 0.0 114.046 177.881 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 78' ' ' ASP . . . . . . . . . . . . . 32.1 t70 -62.69 -24.89 67.88 Favored 'General case' 0 C--N 1.322 -0.591 0 CA-C-N 115.181 -0.918 . . . . 0.0 111.487 -178.36 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 79' ' ' TRP . . . . . 0.49 ' CZ2' ' HD2' ' A' ' 53' ' ' ARG . 64.8 p-90 -82.73 -9.38 59.38 Favored 'General case' 0 C--N 1.316 -0.874 0 N-CA-C 112.622 0.601 . . . . 0.0 112.622 179.659 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 22.6 tp -89.95 107.16 18.95 Favored 'General case' 0 N--CA 1.434 -1.247 0 C-N-CA 118.821 -1.152 . . . . 0.0 109.699 -177.45 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -112.9 167.99 10.05 Favored 'General case' 0 CA--C 1.498 -1.031 0 CA-C-O 121.682 0.753 . . . . 0.0 111.464 -179.068 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 82' ' ' ALA . . . . . 0.542 ' HA ' ' O ' ' A' ' 26' ' ' VAL . . . -150.35 144.67 25.65 Favored 'General case' 0 C--N 1.307 -1.28 0 CA-C-N 113.821 -1.536 . . . . 0.0 109.072 176.152 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 12.1 pt-20 -150.49 153.06 33.91 Favored Pre-proline 0 C--N 1.302 -1.499 0 N-CA-C 104.316 -2.476 . . . . 0.0 104.316 173.704 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 84' ' ' PRO . . . . . 0.607 ' HA ' ' O ' ' A' ' 24' ' ' SER . 68.4 Cg_endo -73.71 158.17 47.32 Favored 'Trans proline' 0 C--O 1.215 -0.629 0 C-N-CA 121.72 1.613 . . . . 0.0 111.939 178.65 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 85' ' ' TYR . . . . . 0.487 ' HB2' HG22 ' A' ' 26' ' ' VAL . 5.2 t80 . . . . . 0 C--N 1.318 -0.803 0 N-CA-C 114.163 1.171 . . . . 0.0 114.163 -178.037 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 43.2 t . . . . . 0 CA--C 1.51 -0.595 0 N-CA-C 107.498 -1.297 . . . . 0.0 107.498 . . . . . . . . . 0 0 . 1 . 013 nuclear orig full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . -120.8 89.78 0.45 Allowed Glycine 0 N--CA 1.429 -1.78 0 C-N-CA 119.411 -1.376 . . . . 0.0 111.873 -179.529 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 95.8 mtt180 -103.8 89.79 3.43 Favored 'General case' 0 C--N 1.31 -1.128 0 N-CA-C 107.785 -1.191 . . . . 0.0 107.785 175.937 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 8.9 pt-20 -82.2 140.87 33.46 Favored 'General case' 0 C--N 1.303 -1.417 0 CA-C-N 114.429 -1.259 . . . . 0.0 110.8 -179.429 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 11' ' ' ASN . . . . . . . . . . . . . 7.4 t30 -67.73 121.98 17.11 Favored 'General case' 0 CA--C 1.504 -0.815 0 N-CA-C 107.44 -1.319 . . . . 0.0 107.44 174.574 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 6.9 mp -66.01 104.3 1.1 Allowed 'General case' 0 C--N 1.308 -1.201 0 O-C-N 123.96 0.787 . . . . 0.0 111.492 -179.413 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 13' ' ' TYR . . . . . . . . . . . . . 92.4 m-85 -79.39 130.04 35.04 Favored 'General case' 0 C--N 1.312 -1.028 0 N-CA-C 106.182 -1.784 . . . . 0.0 106.182 174.141 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 14' ' ' PHE . . . . . . . . . . . . . 90.6 m-85 -83.65 130.33 34.97 Favored 'General case' 0 C--N 1.303 -1.448 0 N-CA-C 109.181 -0.674 . . . . 0.0 109.181 -178.925 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 23.6 mp0 -86.85 133.24 33.64 Favored 'General case' 0 C--N 1.314 -0.953 0 CA-C-N 115.681 -0.69 . . . . 0.0 111.036 -177.108 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . -97.36 178.11 32.66 Favored Glycine 0 N--CA 1.435 -1.367 0 N-CA-C 106.502 -2.639 . . . . 0.0 106.502 170.738 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 17' ' ' HIS . . . . . . . . . . . . 0.403 33.9 m80 -77.7 113.57 15.68 Favored 'General case' 0 C--N 1.312 -1.064 0 CA-C-O 123.273 1.511 . . . . 0.0 114.403 -179.673 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 18' ' ' MET . . . . . . . . . . . . . 30.7 mtm -148.48 -175.45 4.92 Favored 'General case' 0 C--N 1.304 -1.411 0 N-CA-C 101.22 -3.622 . . . . 0.0 101.22 -174.192 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -65.37 95.81 0.21 Allowed 'General case' 0 C--N 1.307 -1.261 0 N-CA-C 104.718 -2.327 . . . . 0.0 104.718 170.452 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -95.42 159.57 32.45 Favored Pre-proline 0 C--N 1.312 -1.041 0 CA-C-N 115.195 -0.911 . . . . 0.0 111.17 -168.279 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 21' ' ' PRO . . . . . . . . . . . . . 24.9 Cg_endo -61.42 89.39 0.1 OUTLIER 'Trans proline' 0 C--N 1.35 0.611 0 C-N-CA 122.534 2.156 . . . . 0.0 111.136 175.515 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -95.86 25.85 4.44 Favored 'General case' 0 C--N 1.314 -0.964 0 CA-C-N 114.625 -1.17 . . . . 0.0 111.501 -175.69 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 23' ' ' ARG . . . . . 0.441 ' C ' HG12 ' A' ' 44' ' ' ILE . 38.0 ttt180 57.22 24.3 9.68 Favored 'General case' 0 CA--C 1.551 0.987 0 CA-C-O 122.716 1.246 . . . . 0.0 112.087 179.17 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 24' ' ' SER . . . . . 0.477 ' O ' ' HA ' ' A' ' 84' ' ' PRO . 48.5 m -151.77 131.74 13.39 Favored 'General case' 0 C--N 1.312 -1.041 0 O-C-N 120.309 -1.495 . . . . 0.0 108.629 175.8 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 25' ' ' CYS . . . . . . . . . . . . . 14.4 m -107.83 131.42 54.5 Favored 'General case' 0 CA--C 1.489 -1.393 0 N-CA-C 106.489 -1.671 . . . . 0.0 106.489 176.107 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 26' ' ' VAL . . . . . 0.5 ' O ' ' HA ' ' A' ' 82' ' ' ALA . 2.8 t -103.68 119.19 51.94 Favored 'Isoleucine or valine' 0 C--N 1.286 -2.192 0 N-CA-C 106.712 -1.588 . . . . 0.0 106.712 -174.112 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 27' ' ' TYR . . . . . . . . . . . . . 6.5 m-85 -91.98 130.68 37.68 Favored 'General case' 0 C--N 1.301 -1.532 0 O-C-N 124.14 0.9 . . . . 0.0 109.26 -176.246 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 28' ' ' TYR . . . . . 0.454 ' HA ' ' O ' ' A' ' 37' ' ' VAL . 97.5 m-85 -128.33 146.34 50.8 Favored 'General case' 0 N--CA 1.413 -2.312 0 CA-C-N 114.399 -1.273 . . . . 0.0 110.033 -176.736 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 3.4 t0 -88.81 101.77 14.36 Favored 'General case' 0 C--N 1.298 -1.656 0 N-CA-C 104.917 -2.253 . . . . 0.0 104.917 172.426 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . -173.07 141.99 6.46 Favored Glycine 0 N--CA 1.422 -2.25 0 C-N-CA 119.433 -1.365 . . . . 0.0 113.926 177.182 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 31' ' ' HIS . . . . . 0.464 ' NE2' ' HB3' ' A' ' 79' ' ' TRP . 91.4 m-70 -88.45 -30.69 19.24 Favored 'General case' 0 C--N 1.299 -1.596 0 N-CA-C 106.305 -1.739 . . . . 0.0 106.305 171.511 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 7.5 mp -107.57 148.11 36.63 Favored Pre-proline 0 N--CA 1.435 -1.21 0 CA-C-N 114.802 -1.09 . . . . 0.0 109.019 -179.539 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 33' ' ' PRO . . . . . . . . . . . . . 98.2 Cg_endo -77.25 4.8 5.55 Favored 'Trans proline' 0 CA--C 1.532 0.382 0 C-N-CA 122.919 2.412 . . . . 0.0 110.163 174.422 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -94.85 -61.02 1.57 Allowed 'General case' 0 C--N 1.32 -0.687 0 CA-C-N 115.244 -0.889 . . . . 0.0 111.114 178.879 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 4.8 p -90.84 12.41 19.46 Favored 'General case' 0 C--N 1.318 -0.763 0 N-CA-C 113.705 1.002 . . . . 0.0 113.705 -172.614 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -68.28 153.49 43.65 Favored 'General case' 0 C--N 1.32 -0.676 0 N-CA-C 112.2 0.444 . . . . 0.0 112.2 -176.488 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 37' ' ' VAL . . . . . 0.454 ' O ' ' HA ' ' A' ' 28' ' ' TYR . 40.4 t -120.91 132.26 70.86 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.708 0 N-CA-C 108.315 -0.995 . . . . 0.0 108.315 -175.438 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 47.2 tp -65.32 118.58 9.52 Favored 'General case' 0 C--N 1.314 -0.969 0 CA-C-O 121.065 0.459 . . . . 0.0 110.96 177.754 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 94.0 mt -91.77 -55.54 3.43 Favored 'General case' 0 C--N 1.299 -1.608 0 CA-C-N 115.443 -0.799 . . . . 0.0 110.572 176.491 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 40' ' ' MET . . . . . . . . . . . . . 45.1 ttm -171.19 152.35 3.39 Favored 'General case' 0 N--CA 1.438 -1.073 0 CA-C-N 115.403 -0.817 . . . . 0.0 109.919 -173.601 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 41' ' ' TYR . . . . . . . . . . . . . 96.1 m-85 -95.26 124.6 39.38 Favored 'General case' 0 C--N 1.314 -0.947 0 N-CA-C 107.138 -1.43 . . . . 0.0 107.138 173.71 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 30.0 t -113.67 119.16 60.23 Favored 'Isoleucine or valine' 0 C--N 1.308 -1.199 0 N-CA-C 108.759 -0.83 . . . . 0.0 108.759 179.081 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 25.1 tpt180 -67.87 132.35 47.21 Favored 'General case' 0 C--N 1.31 -1.113 0 N-CA-C 107.008 -1.479 . . . . 0.0 107.008 178.48 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 44' ' ' ILE . . . . . 0.441 HG12 ' C ' ' A' ' 23' ' ' ARG . 35.7 mm -62.66 125.15 18.56 Favored 'Isoleucine or valine' 0 C--N 1.311 -1.074 0 N-CA-C 108.237 -1.023 . . . . 0.0 108.237 178.398 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . 94.98 25.49 14.49 Favored Glycine 0 C--N 1.303 -1.294 0 N-CA-C 110.251 -1.14 . . . . 0.0 110.251 -176.707 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 46' ' ' ASN . . . . . . . . . . . . . 43.2 t30 -142.39 159.48 42.15 Favored 'General case' 0 C--N 1.311 -1.07 0 N-CA-C 108.054 -1.091 . . . . 0.0 108.054 177.146 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 33.4 p -108.62 153.07 23.93 Favored 'General case' 0 C--N 1.289 -2.062 0 CA-C-N 115.19 -0.914 . . . . 0.0 108.877 178.306 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 48' ' ' ALA . . . . . 0.409 ' O ' ' HA ' ' A' ' 58' ' ' GLU . . . -149.08 131.37 15.56 Favored 'General case' 0 C--N 1.296 -1.754 0 C-N-CA 120.121 -0.631 . . . . 0.0 112.134 -178.82 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 3.7 m -87.61 107.51 18.64 Favored 'General case' 0 N--CA 1.435 -1.176 0 N-CA-C 107.03 -1.47 . . . . 0.0 107.03 175.343 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 50' ' ' ILE . . . . . 0.45 ' O ' ' HA ' ' A' ' 56' ' ' GLU . 18.2 mm -97.61 112.68 30.21 Favored 'Isoleucine or valine' 0 C--N 1.31 -1.137 0 N-CA-C 108.885 -0.783 . . . . 0.0 108.885 -177.974 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 23.5 m -95.47 123.88 39.23 Favored 'General case' 0 C--N 1.295 -1.769 0 C-N-CA 116.72 -1.992 . . . . 0.0 106.25 172.24 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -143.28 123.38 13.66 Favored 'General case' 0 C--N 1.31 -1.147 0 N-CA-C 108.32 -0.993 . . . . 0.0 108.32 -179.734 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 53' ' ' ARG . . . . . . . . . . . . . 77.1 mtt180 65.48 18.24 11.22 Favored 'General case' 0 C--N 1.324 -0.52 0 C-N-CA 124.45 1.1 . . . . 0.0 110.996 -179.788 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . 95.8 -0.84 63.06 Favored Glycine 0 C--N 1.307 -1.048 0 CA-C-N 114.839 -1.073 . . . . 0.0 112.854 -178.475 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 55' ' ' HIS . . . . . . . . . . . . . 44.2 m-70 -109.12 127.48 54.2 Favored 'General case' 0 C--N 1.32 -0.701 0 O-C-N 122.178 -0.601 . . . . 0.0 109.607 -177.102 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 56' ' ' GLU . . . . . 0.45 ' HA ' ' O ' ' A' ' 50' ' ' ILE . 46.0 mp0 -86.57 131.99 34.02 Favored 'General case' 0 C--O 1.246 0.903 0 CA-C-O 121.429 0.633 . . . . 0.0 110.513 175.604 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 57' ' ' PHE . . . . . 0.431 ' HB3' HD11 ' A' ' 70' ' ' LEU . 64.1 m-85 -123.07 100.06 6.68 Favored 'General case' 0 N--CA 1.415 -2.178 0 N-CA-C 105.383 -2.081 . . . . 0.0 105.383 175.034 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 58' ' ' GLU . . . . . 0.526 ' O ' HG23 ' A' ' 71' ' ' THR . 34.4 tt0 -92.49 111.42 23.0 Favored 'General case' 0 C--N 1.3 -1.564 0 C-N-CA 117.274 -1.77 . . . . 0.0 107.097 177.638 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 59' ' ' VAL . . . . . . . . . . . . . 32.8 m -108.4 165.13 5.0 Favored 'Isoleucine or valine' 0 C--N 1.298 -1.653 0 CA-C-N 115.079 -0.964 . . . . 0.0 110.268 -175.801 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 39.5 tt0 -120.39 116.16 24.94 Favored 'General case' 0 C--N 1.294 -1.822 0 N-CA-C 105.162 -2.162 . . . . 0.0 105.162 171.514 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -76.89 89.99 3.5 Favored 'General case' 0 C--N 1.32 -0.706 0 N-CA-C 108.889 -0.782 . . . . 0.0 108.889 179.62 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 27.7 mmmt -66.03 -57.02 8.71 Favored 'General case' 0 C--N 1.32 -0.674 0 CA-C-N 113.494 -1.685 . . . . 0.0 111.617 -176.733 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 1.5 m-20 -125.88 156.43 39.67 Favored 'General case' 0 CA--C 1.497 -1.09 0 CA-C-N 115.609 -0.723 . . . . 0.0 110.044 -171.822 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 64' ' ' GLN . . . . . 0.417 ' HG3' HG13 ' A' ' 44' ' ' ILE . 10.2 mp0 -78.71 -2.76 40.85 Favored 'General case' 0 C--N 1.323 -0.578 0 O-C-N 123.875 0.734 . . . . 0.0 109.557 179.885 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 65' ' ' ASN . . . . . . . . . . . . . 58.7 t30 -91.61 14.98 13.51 Favored 'General case' 0 C--N 1.325 -0.484 0 N-CA-C 107.035 -1.469 . . . . 0.0 107.035 176.668 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 66' ' ' CYS . . . . . 0.5 ' SG ' ' HD3' ' A' ' 84' ' ' PRO . 82.4 m 57.86 55.08 5.62 Favored 'General case' 0 N--CA 1.437 -1.113 0 CA-C-N 113.202 -1.817 . . . . 0.0 114.201 175.23 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 67' ' ' LYS . . . . . 0.511 ' HA ' ' HE3' ' A' ' 67' ' ' LYS . 0.0 OUTLIER -84.45 117.37 23.61 Favored 'General case' 0 N--CA 1.414 -2.24 0 C-N-CA 118.273 -1.371 . . . . 0.0 109.397 173.728 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 68' ' ' VAL . . . . . . . . . . . . . 5.4 p -93.12 98.7 8.64 Favored 'Isoleucine or valine' 0 C--N 1.284 -2.275 0 CA-C-N 111.886 -2.415 . . . . 0.0 109.906 -174.941 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 69' ' ' ILE . . . . . . . . . . . . . 1.9 mp -114.13 119.48 61.34 Favored 'Isoleucine or valine' 0 C--N 1.294 -1.827 0 N-CA-C 105.453 -2.054 . . . . 0.0 105.453 176.71 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 70' ' ' LEU . . . . . 0.462 ' HB2' ' O ' ' A' ' 74' ' ' LYS . 4.1 mm? -77.85 139.45 39.28 Favored 'General case' 0 CA--C 1.477 -1.863 0 CA-C-N 115.361 -0.836 . . . . 0.0 110.09 179.241 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 71' ' ' THR . . . . . 0.526 HG23 ' O ' ' A' ' 58' ' ' GLU . 15.2 t -82.49 0.24 43.34 Favored 'General case' 0 C--N 1.291 -1.957 0 CA-C-N 114.392 -1.276 . . . . 0.0 109.077 -177.312 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 72' ' ' ASN . . . . . . . . . . . . . 81.8 m-20 -90.23 -8.19 51.65 Favored 'General case' 0 C--N 1.322 -0.589 0 CA-C-N 114.452 -1.249 . . . . 0.0 109.362 176.06 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 73' ' ' GLY . . . . . . . . . . . . . . . 89.72 18.07 52.59 Favored Glycine 0 CA--C 1.5 -0.874 0 N-CA-C 109.502 -1.439 . . . . 0.0 109.502 179.069 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 74' ' ' LYS . . . . . 0.462 ' O ' ' HB2' ' A' ' 70' ' ' LEU . 67.2 mmtt -101.93 159.52 15.28 Favored 'General case' 0 N--CA 1.431 -1.394 0 CA-C-N 113.786 -1.207 . . . . 0.0 112.572 -174.386 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 75' ' ' GLN . . . . . . . . . . . . . 79.1 mt-30 -91.82 158.66 16.2 Favored 'General case' 0 C--N 1.303 -1.456 0 N-CA-C 103.149 -2.908 . . . . 0.0 103.149 167.813 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 76' ' ' ALA . . . . . 0.41 ' HB2' HD22 ' A' ' 70' ' ' LEU . . . -98.85 145.95 30.83 Favored Pre-proline 0 C--N 1.287 -2.116 0 C-N-CA 118.539 -1.264 . . . . 0.0 110.678 -178.666 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 77' ' ' PRO . . . . . . . . . . . . . 84.4 Cg_exo -53.07 149.94 25.71 Favored 'Trans proline' 0 C--N 1.352 0.747 0 C-N-CA 123.182 2.588 . . . . 0.0 110.454 174.388 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 78' ' ' ASP . . . . . . . . . . . . . 28.7 t70 -57.65 -28.9 64.16 Favored 'General case' 0 C--N 1.315 -0.934 0 C-N-CA 123.956 0.902 . . . . 0.0 111.637 -177.081 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 79' ' ' TRP . . . . . 0.464 ' HB3' ' NE2' ' A' ' 31' ' ' HIS . 69.8 p-90 -81.94 -4.1 55.85 Favored 'General case' 0 C--N 1.319 -0.748 0 N-CA-C 113.348 0.87 . . . . 0.0 113.348 179.878 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 33.3 tp -88.39 102.21 14.66 Favored 'General case' 0 C--N 1.312 -1.05 0 N-CA-C 107.216 -1.402 . . . . 0.0 107.216 176.533 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -100.98 158.72 15.79 Favored 'General case' 0 C--N 1.306 -1.323 0 CA-C-O 121.251 0.548 . . . . 0.0 110.36 -177.254 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 82' ' ' ALA . . . . . 0.5 ' HA ' ' O ' ' A' ' 26' ' ' VAL . . . -152.1 133.07 14.21 Favored 'General case' 0 C--N 1.3 -1.559 0 CA-C-N 114.882 -1.054 . . . . 0.0 109.727 177.44 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 8.9 pt-20 -143.05 140.64 18.17 Favored Pre-proline 0 C--N 1.311 -1.082 0 N-CA-C 105.704 -1.962 . . . . 0.0 105.704 174.754 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 84' ' ' PRO . . . . . 0.5 ' HD3' ' SG ' ' A' ' 66' ' ' CYS . 76.7 Cg_endo -68.44 139.26 44.67 Favored 'Trans proline' 0 N--CA 1.445 -1.374 0 CA-C-N 120.696 1.284 . . . . 0.0 110.806 178.313 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 85' ' ' TYR . . . . . 0.456 ' CD2' ' HB2' ' A' ' 24' ' ' SER 0.257 0.2 OUTLIER . . . . . 0 C--N 1.315 -0.892 0 CA-C-N 113.959 -1.473 . . . . 0.0 114.44 -170.671 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 12.3 m . . . . . 0 C--O 1.238 0.451 0 N-CA-C 109.075 -0.713 . . . . 0.0 109.075 . . . . . . . . . 0 0 . 1 . 014 nuclear orig full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . -79.37 107.1 2.5 Favored Glycine 0 N--CA 1.437 -1.292 0 N-CA-C 110.164 -1.174 . . . . 0.0 110.164 179.319 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 56.8 mtm180 -109.11 89.65 3.06 Favored 'General case' 0 C--N 1.307 -1.276 0 N-CA-C 106.442 -1.688 . . . . 0.0 106.442 -179.541 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 7.7 tp10 -84.06 109.18 17.47 Favored 'General case' 0 N--CA 1.43 -1.471 0 N-CA-C 108.359 -0.978 . . . . 0.0 108.359 -175.736 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 11' ' ' ASN . . . . . . . . . . . . . 0.2 OUTLIER -122.45 126.49 48.02 Favored 'General case' 0 C--N 1.298 -1.643 0 N-CA-C 106.135 -1.802 . . . . 0.0 106.135 -177.74 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 2.1 pt? -63.95 114.33 4.03 Favored 'General case' 0 C--N 1.32 -0.707 0 N-CA-C 107.078 -1.453 . . . . 0.0 107.078 175.779 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 13' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER -133.51 99.82 4.62 Favored 'General case' 0 C--N 1.299 -1.62 0 N-CA-C 108.307 -0.997 . . . . 0.0 108.307 -171.68 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 14' ' ' PHE . . . . . . . . . . . . . 79.5 m-85 -83.8 104.35 13.82 Favored 'General case' 0 C--N 1.308 -1.234 0 CA-C-O 121.593 0.711 . . . . 0.0 110.526 -179.602 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 17.2 mm-40 -126.57 158.63 35.72 Favored 'General case' 0 C--N 1.305 -1.344 0 CA-C-N 114.46 -1.245 . . . . 0.0 108.271 -179.338 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . -91.46 89.57 1.46 Allowed Glycine 0 N--CA 1.429 -1.832 0 N-CA-C 107.741 -2.144 . . . . 0.0 107.741 176.348 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 17' ' ' HIS . . . . . . . . . . . . . 4.8 t60 -114.83 116.74 29.07 Favored 'General case' 0 C--N 1.303 -1.433 0 N-CA-C 106.894 -1.521 . . . . 0.0 106.894 -177.06 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 18' ' ' MET . . . . . . . . . . . . . 14.9 tpt -54.88 113.81 1.48 Allowed 'General case' 0 C--N 1.317 -0.811 0 O-C-N 124.211 0.944 . . . . 0.0 112.633 -176.827 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -69.9 120.29 15.41 Favored 'General case' 0 C--N 1.322 -0.591 0 N-CA-C 107.391 -1.337 . . . . 0.0 107.391 175.507 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -90.05 147.26 36.76 Favored Pre-proline 0 C--N 1.298 -1.64 0 CA-C-N 115.498 -0.774 . . . . 0.0 111.159 -173.549 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 21' ' ' PRO . . . . . . . . . . . . . 49.2 Cg_exo -57.77 97.02 0.08 OUTLIER 'Trans proline' 0 C--N 1.352 0.718 0 C-N-CA 122.85 2.367 . . . . 0.0 108.476 171.004 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -100.8 21.55 13.41 Favored 'General case' 0 C--N 1.31 -1.137 0 CA-C-N 114.408 -1.269 . . . . 0.0 114.102 -170.846 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 23' ' ' ARG . . . . . 0.544 ' C ' HG12 ' A' ' 44' ' ' ILE . 81.0 mtp180 59.71 30.75 20.35 Favored 'General case' 0 C--N 1.307 -1.27 0 CA-C-O 122.181 0.991 . . . . 0.0 109.289 -174.945 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 24' ' ' SER . . . . . 0.475 ' O ' ' HA ' ' A' ' 84' ' ' PRO . 74.1 m -155.46 133.38 11.39 Favored 'General case' 0 N--CA 1.447 -0.621 0 C-N-CA 124.046 0.938 . . . . 0.0 110.463 178.909 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 25' ' ' CYS . . . . . . . . . . . . . 64.5 m -107.83 130.98 54.95 Favored 'General case' 0 CA--C 1.493 -1.214 0 N-CA-C 105.588 -2.004 . . . . 0.0 105.588 175.899 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 26' ' ' VAL . . . . . 0.518 ' O ' ' HA ' ' A' ' 82' ' ' ALA . 3.6 t -113.23 123.29 68.73 Favored 'Isoleucine or valine' 0 C--N 1.282 -2.357 0 N-CA-C 106.851 -1.537 . . . . 0.0 106.851 -172.138 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 27' ' ' TYR . . . . . . . . . . . . . 6.3 m-85 -96.12 130.81 43.07 Favored 'General case' 0 C--N 1.303 -1.444 0 O-C-N 123.986 0.804 . . . . 0.0 110.819 -173.713 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 28' ' ' TYR . . . . . 0.482 ' HA ' ' O ' ' A' ' 37' ' ' VAL . 88.8 m-85 -127.88 145.9 50.8 Favored 'General case' 0 N--CA 1.421 -1.9 0 CA-C-N 114.202 -1.363 . . . . 0.0 109.607 -178.092 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 13.3 t0 -91.3 103.55 16.19 Favored 'General case' 0 C--N 1.299 -1.611 0 N-CA-C 103.861 -2.644 . . . . 0.0 103.861 171.315 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . -154.35 126.62 1.94 Allowed Glycine 0 N--CA 1.423 -2.184 0 C-N-CA 119.314 -1.422 . . . . 0.0 112.264 179.887 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 31' ' ' HIS . . . . . . . . . . . . . 31.3 p-80 -90.15 -20.41 23.12 Favored 'General case' 0 C--N 1.289 -2.064 0 CA-C-N 112.992 -1.604 . . . . 0.0 108.37 178.225 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 11.1 mp -131.55 150.03 75.18 Favored Pre-proline 0 N--CA 1.438 -1.041 0 N-CA-C 104.026 -2.583 . . . . 0.0 104.026 170.462 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 33' ' ' PRO . . . . . . . . . . . . . 26.8 Cg_endo -67.51 -6.95 17.81 Favored 'Trans proline' 0 CA--C 1.537 0.671 0 C-N-CA 121.811 1.674 . . . . 0.0 110.841 175.437 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -88.74 -24.92 22.55 Favored 'General case' 0 N--CA 1.447 -0.585 0 CA-C-N 115.676 -0.693 . . . . 0.0 110.44 176.889 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 18.0 p -106.64 21.23 17.81 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 121.141 0.496 . . . . 0.0 111.058 -177.091 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 30.9 ptt180 -68.09 125.87 27.72 Favored 'General case' 0 CA--C 1.538 0.492 0 CA-C-N 115.054 -0.975 . . . . 0.0 111.156 -179.87 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 37' ' ' VAL . . . . . 0.482 ' O ' ' HA ' ' A' ' 28' ' ' TYR . 47.5 t -110.67 129.4 65.88 Favored 'Isoleucine or valine' 0 C--N 1.314 -0.97 0 N-CA-C 107.719 -1.215 . . . . 0.0 107.719 177.604 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 2.8 tm? -67.15 110.51 3.48 Favored 'General case' 0 C--N 1.324 -0.543 0 N-CA-C 109.236 -0.653 . . . . 0.0 109.236 -177.825 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 91.3 mt -91.39 -60.97 1.75 Allowed 'General case' 0 C--N 1.315 -0.903 0 CA-C-N 116.313 -0.403 . . . . 0.0 111.479 179.133 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 40' ' ' MET . . . . . . . . . . . . . 45.7 ttm -164.53 152.01 11.76 Favored 'General case' 0 N--CA 1.44 -0.932 0 CA-C-N 116.084 -0.507 . . . . 0.0 110.519 -176.232 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 41' ' ' TYR . . . . . . . . . . . . . 87.9 m-85 -96.13 130.6 43.13 Favored 'General case' 0 C--N 1.32 -0.693 0 N-CA-C 107.56 -1.274 . . . . 0.0 107.56 174.294 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 19.6 t -122.95 109.62 24.23 Favored 'Isoleucine or valine' 0 C--N 1.311 -1.098 0 N-CA-C 108.657 -0.868 . . . . 0.0 108.657 178.462 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 3.4 tmt_? -66.94 138.95 57.65 Favored 'General case' 0 C--N 1.307 -1.268 0 N-CA-C 107.776 -1.194 . . . . 0.0 107.776 -179.759 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 44' ' ' ILE . . . . . 0.544 HG12 ' C ' ' A' ' 23' ' ' ARG . 17.4 mm -59.55 123.18 11.43 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.085 0 CA-C-O 121.386 0.613 . . . . 0.0 110.318 -177.887 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . 106.05 -10.77 44.32 Favored Glycine 0 C--N 1.298 -1.545 0 N-CA-C 110.229 -1.148 . . . . 0.0 110.229 179.017 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 46' ' ' ASN . . . . . . . . . . . . . 41.0 t30 -104.95 157.44 17.22 Favored 'General case' 0 C--N 1.31 -1.131 0 CA-C-O 121.564 0.697 . . . . 0.0 109.499 -179.14 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 27.0 p -106.3 152.97 22.86 Favored 'General case' 0 C--N 1.29 -1.983 0 CA-C-N 114.658 -1.155 . . . . 0.0 109.762 -179.827 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 48' ' ' ALA . . . . . 0.406 ' O ' ' HA ' ' A' ' 58' ' ' GLU . . . -148.82 145.34 27.49 Favored 'General case' 0 C--N 1.293 -1.873 0 C-N-CA 120.05 -0.66 . . . . 0.0 111.9 177.024 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 45.2 m -101.71 108.51 20.05 Favored 'General case' 0 N--CA 1.436 -1.15 0 N-CA-C 107.385 -1.339 . . . . 0.0 107.385 175.848 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 50' ' ' ILE . . . . . . . . . . . . . 16.7 mm -96.45 110.14 24.17 Favored 'Isoleucine or valine' 0 C--N 1.302 -1.479 0 N-CA-C 109.128 -0.693 . . . . 0.0 109.128 -176.003 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 37.0 m -89.31 124.28 34.27 Favored 'General case' 0 C--N 1.295 -1.768 0 N-CA-C 106.523 -1.658 . . . . 0.0 106.523 170.205 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -144.17 123.3 12.9 Favored 'General case' 0 C--N 1.304 -1.407 0 N-CA-C 106.78 -1.563 . . . . 0.0 106.78 177.525 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 53' ' ' ARG . . . . . . . . . . . . . 83.2 mtt180 66.88 20.2 10.58 Favored 'General case' 0 N--CA 1.468 0.471 0 C-N-CA 124.021 0.928 . . . . 0.0 110.257 179.268 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . 87.42 6.62 77.4 Favored Glycine 0 N--CA 1.445 -0.708 0 CA-C-N 114.663 -1.153 . . . . 0.0 112.901 -179.096 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 55' ' ' HIS . . . . . . . . . . . . . 51.8 m-70 -112.76 133.88 54.55 Favored 'General case' 0 C--N 1.32 -0.675 0 N-CA-C 109.319 -0.623 . . . . 0.0 109.319 179.566 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 5.2 mp0 -91.96 130.06 37.79 Favored 'General case' 0 CA--C 1.505 -0.759 0 C-N-CA 123.608 0.763 . . . . 0.0 111.009 179.225 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 57' ' ' PHE . . . . . . . . . . . . . 89.1 m-85 -120.42 102.77 8.68 Favored 'General case' 0 N--CA 1.42 -1.957 0 N-CA-C 106.379 -1.712 . . . . 0.0 106.379 174.888 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 58' ' ' GLU . . . . . 0.406 ' HA ' ' O ' ' A' ' 48' ' ' ALA . 38.6 tt0 -89.27 115.25 26.62 Favored 'General case' 0 N--CA 1.425 -1.72 0 N-CA-C 106.016 -1.846 . . . . 0.0 106.016 177.867 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 59' ' ' VAL . . . . . 0.466 ' CG1' HD11 ' A' ' 70' ' ' LEU . 29.2 m -119.75 169.12 11.28 Favored 'Isoleucine or valine' 0 C--N 1.291 -1.944 0 CA-C-N 114.918 -1.037 . . . . 0.0 109.852 -176.185 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 34.6 tt0 -128.88 127.7 42.34 Favored 'General case' 0 C--N 1.286 -2.161 0 N-CA-C 104.86 -2.274 . . . . 0.0 104.86 172.559 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -76.68 92.31 3.52 Favored 'General case' 0 C--N 1.307 -1.279 0 N-CA-C 107.703 -1.221 . . . . 0.0 107.703 177.103 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 29.7 mmmt -72.8 -54.86 7.73 Favored 'General case' 0 C--N 1.319 -0.718 0 CA-C-N 114.255 -1.339 . . . . 0.0 112.475 -173.844 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 12.4 t70 -131.12 159.4 37.74 Favored 'General case' 0 C--N 1.308 -1.215 0 N-CA-C 107.926 -1.139 . . . . 0.0 107.926 -172.129 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 64' ' ' GLN . . . . . 0.465 ' HG2' HG13 ' A' ' 44' ' ' ILE . 35.7 mt-30 -82.49 2.58 32.16 Favored 'General case' 0 N--CA 1.463 0.204 0 CA-C-N 118.111 0.414 . . . . 0.0 111.546 -176.04 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 65' ' ' ASN . . . . . . . . . . . . . 22.2 m-80 -75.52 -14.9 60.43 Favored 'General case' 0 CA--C 1.516 -0.36 0 CA-C-O 121.739 0.781 . . . . 0.0 109.145 173.123 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 66' ' ' CYS . . . . . . . . . . . . . 72.3 m 59.07 44.21 16.4 Favored 'General case' 0 N--CA 1.445 -0.712 0 N-CA-C 115.975 1.843 . . . . 0.0 115.975 172.103 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 4.9 mptp? -79.0 154.75 29.25 Favored 'General case' 0 C--N 1.307 -1.24 0 N-CA-C 107.869 -1.16 . . . . 0.0 107.869 166.537 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 68' ' ' VAL . . . . . . . . . . . . . 4.5 p -90.22 102.65 13.49 Favored 'Isoleucine or valine' 0 C--N 1.282 -2.331 0 CA-C-N 115.115 -0.948 . . . . 0.0 112.068 -177.562 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 69' ' ' ILE . . . . . . . . . . . . . 3.8 mp -111.72 118.75 58.33 Favored 'Isoleucine or valine' 0 N--CA 1.436 -1.165 0 N-CA-C 105.992 -1.855 . . . . 0.0 105.992 175.747 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 70' ' ' LEU . . . . . 0.517 HD21 ' HB1' ' A' ' 76' ' ' ALA . 3.1 mm? -76.48 161.08 28.93 Favored 'General case' 0 N--CA 1.432 -1.349 0 N-CA-C 108.536 -0.913 . . . . 0.0 108.536 178.708 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 71' ' ' THR . . . . . . . . . . . . . 48.3 p -64.45 -24.94 67.79 Favored 'General case' 0 C--N 1.295 -1.795 0 CA-C-N 115.314 -0.857 . . . . 0.0 112.093 179.562 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 72' ' ' ASN . . . . . . . . . . . . . 23.1 p30 -84.1 -6.61 59.43 Favored 'General case' 0 C--N 1.316 -0.853 0 CA-C-N 115.408 -0.814 . . . . 0.0 110.505 177.565 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 73' ' ' GLY . . . . . . . . . . . . . . . 101.58 -5.98 54.89 Favored Glycine 0 N--CA 1.437 -1.277 0 CA-C-N 115.742 -0.663 . . . . 0.0 113.065 173.96 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 44.5 mtmt -77.16 177.0 8.21 Favored 'General case' 0 N--CA 1.444 -0.774 0 CA-C-O 122.55 1.167 . . . . 0.0 113.992 -178.833 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 75' ' ' GLN . . . . . . . . . . . . . 25.4 mt-30 -102.67 155.44 18.3 Favored 'General case' 0 C--N 1.306 -1.312 0 N-CA-C 104.74 -2.319 . . . . 0.0 104.74 170.322 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 76' ' ' ALA . . . . . 0.517 ' HB1' HD21 ' A' ' 70' ' ' LEU . . . -108.49 169.43 6.56 Favored Pre-proline 0 C--N 1.288 -2.093 0 N-CA-C 108.311 -0.996 . . . . 0.0 108.311 179.582 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 77' ' ' PRO . . . . . . . . . . . . . 32.6 Cg_exo -58.44 154.99 38.22 Favored 'Trans proline' 0 C--N 1.357 0.994 0 C-N-CA 122.459 2.106 . . . . 0.0 112.677 -179.649 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 78' ' ' ASP . . . . . . . . . . . . . 5.9 m-20 -59.12 -29.44 67.39 Favored 'General case' 0 N--CA 1.471 0.588 0 C-N-CA 124.71 1.204 . . . . 0.0 112.227 -174.582 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 79' ' ' TRP . . . . . . . . . . . . . 63.4 p-90 -72.55 -18.89 61.59 Favored 'General case' 0 N--CA 1.444 -0.758 0 CA-C-N 115.905 -0.589 . . . . 0.0 111.344 179.962 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 37.0 tp -83.55 102.2 11.98 Favored 'General case' 0 N--CA 1.432 -1.371 0 N-CA-C 106.111 -1.811 . . . . 0.0 106.111 177.543 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -100.08 156.26 17.28 Favored 'General case' 0 C--N 1.304 -1.379 0 CA-C-N 114.914 -1.039 . . . . 0.0 110.266 -175.587 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 82' ' ' ALA . . . . . 0.518 ' HA ' ' O ' ' A' ' 26' ' ' VAL . . . -148.14 133.11 18.14 Favored 'General case' 0 C--N 1.294 -1.821 0 N-CA-C 107.833 -1.173 . . . . 0.0 107.833 175.338 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 10.0 pt-20 -142.36 146.69 40.3 Favored Pre-proline 0 C--N 1.306 -1.293 0 N-CA-C 103.623 -2.732 . . . . 0.0 103.623 178.108 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 84' ' ' PRO . . . . . 0.475 ' HA ' ' O ' ' A' ' 24' ' ' SER . 67.3 Cg_endo -72.49 152.17 54.06 Favored 'Trans proline' 0 N--CA 1.448 -1.186 0 CA-C-N 121.315 1.505 . . . . 0.0 110.858 176.576 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 85' ' ' TYR . . . . . 0.454 ' HB2' HG21 ' A' ' 26' ' ' VAL 0.288 0.1 OUTLIER . . . . . 0 C--N 1.312 -1.028 0 N-CA-C 114.029 1.122 . . . . 0.0 114.029 -175.489 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 23.3 t . . . . . 0 C--O 1.236 0.374 0 N-CA-C 106.985 -1.487 . . . . 0.0 106.985 . . . . . . . . . 0 0 . 1 . 015 nuclear orig full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . -81.46 89.68 1.41 Allowed Glycine 0 N--CA 1.437 -1.237 0 C-N-CA 121.253 -0.499 . . . . 0.0 112.846 -176.762 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 5.1 ptp180 -150.06 98.34 2.69 Favored 'General case' 0 C--N 1.307 -1.24 0 N-CA-C 107.328 -1.36 . . . . 0.0 107.328 174.894 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 8.6 pt-20 -76.72 90.75 3.43 Favored 'General case' 0 C--N 1.302 -1.47 0 CA-C-N 114.043 -1.435 . . . . 0.0 110.742 -176.229 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 11' ' ' ASN . . . . . . . . . . . . . 83.2 m-20 -95.14 155.01 16.91 Favored 'General case' 0 C--N 1.309 -1.171 0 CA-C-N 115.049 -0.978 . . . . 0.0 109.7 -178.353 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 3.7 pp -70.2 172.67 7.74 Favored 'General case' 0 C--N 1.305 -1.329 0 CA-C-N 115.095 -0.957 . . . . 0.0 110.675 178.211 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 13' ' ' TYR . . . . . . . . . . . . . 55.7 t80 -87.13 113.45 22.88 Favored 'General case' 0 C--N 1.304 -1.38 0 N-CA-C 107.658 -1.238 . . . . 0.0 107.658 -179.562 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 14' ' ' PHE . . . . . . . . . . . . . 94.3 m-85 -74.38 139.58 44.17 Favored 'General case' 0 C--N 1.314 -0.974 0 N-CA-C 107.675 -1.232 . . . . 0.0 107.675 177.507 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 51.6 tt0 -44.09 113.55 0.54 Allowed 'General case' 0 C--O 1.237 0.408 0 O-C-N 125.14 1.525 . . . . 0.0 111.801 -175.458 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . -83.84 101.4 2.38 Favored Glycine 0 N--CA 1.424 -2.142 0 CA-C-N 114.404 -1.271 . . . . 0.0 111.077 -178.503 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 17' ' ' HIS . . . . . . . . . . . . . 74.2 m80 -73.0 -179.35 3.19 Favored 'General case' 0 C--N 1.306 -1.317 0 N-CA-C 109.233 -0.654 . . . . 0.0 109.233 179.055 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 18' ' ' MET . . . . . . . . . . . . . 25.4 mmt -58.85 161.11 5.14 Favored 'General case' 0 C--O 1.24 0.593 0 CA-C-O 122.264 1.03 . . . . 0.0 113.455 -175.686 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -114.48 -179.02 3.51 Favored 'General case' 0 C--N 1.3 -1.554 0 CA-C-N 114.53 -1.213 . . . . 0.0 109.098 -177.282 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -53.56 126.4 47.79 Favored Pre-proline 0 C--N 1.318 -0.791 0 O-C-N 124.586 1.179 . . . . 0.0 111.292 179.48 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 21' ' ' PRO . . . . . . . . . . . . . 54.8 Cg_exo -46.4 117.37 1.96 Allowed 'Trans proline' 0 C--N 1.355 0.877 0 C-N-CA 124.221 3.28 . . . . 0.0 112.248 176.416 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -67.55 33.28 0.03 OUTLIER 'General case' 0 C--N 1.31 -1.136 0 N-CA-C 117.667 2.469 . . . . 0.0 117.667 -171.963 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 23' ' ' ARG . . . . . 0.503 ' C ' HG12 ' A' ' 44' ' ' ILE . 77.6 mtt85 57.82 25.03 11.48 Favored 'General case' 0 C--N 1.315 -0.916 0 N-CA-C 114.95 1.463 . . . . 0.0 114.95 178.055 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 24' ' ' SER . . . . . 0.655 ' O ' ' HA ' ' A' ' 84' ' ' PRO . 61.9 m -156.81 139.27 14.87 Favored 'General case' 0 C--N 1.31 -1.139 0 O-C-N 121.525 -0.734 . . . . 0.0 109.919 177.015 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 25' ' ' CYS . . . . . . . . . . . . . 87.8 m -107.87 131.31 54.64 Favored 'General case' 0 CA--C 1.497 -1.08 0 N-CA-C 105.505 -2.035 . . . . 0.0 105.505 178.142 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 26' ' ' VAL . . . . . 0.561 ' O ' ' HA ' ' A' ' 82' ' ' ALA . 3.3 t -108.73 124.51 65.32 Favored 'Isoleucine or valine' 0 C--N 1.291 -1.97 0 N-CA-C 107.748 -1.204 . . . . 0.0 107.748 -174.793 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 27' ' ' TYR . . . . . . . . . . . . . 17.3 m-85 -90.22 128.45 36.39 Favored 'General case' 0 C--N 1.294 -1.847 0 O-C-N 124.818 1.324 . . . . 0.0 110.58 -174.565 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 28' ' ' TYR . . . . . 0.512 ' HB3' ' HB3' ' A' ' 36' ' ' ARG . 96.6 m-85 -128.0 158.01 39.07 Favored 'General case' 0 N--CA 1.417 -2.108 0 CA-C-N 114.222 -1.354 . . . . 0.0 110.055 -178.509 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 15.8 t0 -118.16 100.95 7.85 Favored 'General case' 0 C--N 1.302 -1.471 0 N-CA-C 105.489 -2.041 . . . . 0.0 105.489 177.214 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . -173.95 147.18 9.19 Favored Glycine 0 CA--C 1.487 -1.712 0 C-N-CA 119.986 -1.102 . . . . 0.0 111.368 178.09 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 31' ' ' HIS . . . . . 0.412 ' NE2' ' HB3' ' A' ' 79' ' ' TRP . 36.9 m80 -85.2 -31.47 23.19 Favored 'General case' 0 C--N 1.296 -1.725 0 N-CA-C 108.695 -0.854 . . . . 0.0 108.695 174.801 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 2.2 mm? -119.2 156.99 52.15 Favored Pre-proline 0 N--CA 1.443 -0.804 0 N-CA-C 108.048 -1.093 . . . . 0.0 108.048 -179.179 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 33' ' ' PRO . . . . . . . . . . . . . 10.0 Cg_endo -56.26 -36.45 96.84 Favored 'Trans proline' 0 C--N 1.347 0.458 0 C-N-CA 122.675 2.25 . . . . 0.0 110.671 174.361 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -71.7 -20.03 61.98 Favored 'General case' 0 C--N 1.326 -0.446 0 CA-C-N 115.624 -0.716 . . . . 0.0 111.709 -177.795 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 40.2 p -111.78 11.97 20.95 Favored 'General case' 0 N--CA 1.439 -1.005 0 N-CA-C 112.588 0.588 . . . . 0.0 112.588 -176.557 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 36' ' ' ARG . . . . . 0.512 ' HB3' ' HB3' ' A' ' 28' ' ' TYR . 35.8 mmt180 -68.29 146.77 53.0 Favored 'General case' 0 CA--C 1.52 -0.203 0 CA-C-O 121.497 0.665 . . . . 0.0 110.369 178.355 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 37' ' ' VAL . . . . . 0.485 ' O ' ' HA ' ' A' ' 28' ' ' TYR . 67.2 t -122.98 125.45 72.25 Favored 'Isoleucine or valine' 0 C--N 1.3 -1.584 0 N-CA-C 104.684 -2.339 . . . . 0.0 104.684 174.278 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 8.7 tt -77.2 120.2 21.93 Favored 'General case' 0 C--N 1.312 -1.035 0 C-N-CA 119.969 -0.692 . . . . 0.0 109.868 -178.301 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 71.8 mt -90.6 -46.59 8.2 Favored 'General case' 0 C--N 1.31 -1.126 0 CA-C-N 114.886 -1.052 . . . . 0.0 110.04 -179.112 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 40' ' ' MET . . . . . . . . . . . . . 20.2 ptp 179.02 165.16 0.9 Allowed 'General case' 0 N--CA 1.474 0.75 0 O-C-N 123.713 0.633 . . . . 0.0 112.379 179.689 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 41' ' ' TYR . . . . . . . . . . . . . 26.9 m-85 -101.44 131.8 47.37 Favored 'General case' 0 C--N 1.313 -0.991 0 N-CA-C 106.509 -1.663 . . . . 0.0 106.509 175.99 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 43.3 t -124.47 118.52 53.79 Favored 'Isoleucine or valine' 0 C--N 1.308 -1.197 0 N-CA-C 108.793 -0.817 . . . . 0.0 108.793 178.768 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 12.6 ttt180 -59.66 138.69 57.66 Favored 'General case' 0 C--N 1.31 -1.117 0 N-CA-C 108.779 -0.823 . . . . 0.0 108.779 178.171 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 44' ' ' ILE . . . . . 0.503 HG12 ' C ' ' A' ' 23' ' ' ARG . 21.1 mm -58.85 125.58 15.1 Favored 'Isoleucine or valine' 0 C--N 1.315 -0.915 0 N-CA-C 108.047 -1.094 . . . . 0.0 108.047 176.645 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . 107.47 -21.31 30.87 Favored Glycine 0 C--N 1.294 -1.79 0 CA-C-N 114.939 -1.028 . . . . 0.0 110.926 176.061 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 46' ' ' ASN . . . . . . . . . . . . . 50.0 t30 -93.54 159.69 15.12 Favored 'General case' 0 C--N 1.306 -1.321 0 CA-C-N 114.499 -0.851 . . . . 0.0 110.266 -176.247 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 26.2 p -105.27 153.89 20.99 Favored 'General case' 0 C--N 1.29 -2.017 0 CA-C-N 114.605 -1.179 . . . . 0.0 110.037 178.205 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 48' ' ' ALA . . . . . 0.404 ' O ' ' HA ' ' A' ' 58' ' ' GLU . . . -140.03 140.0 36.1 Favored 'General case' 0 C--N 1.292 -1.915 0 CA-C-N 115.471 -0.786 . . . . 0.0 109.928 177.978 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 2.0 m -106.38 105.04 14.88 Favored 'General case' 0 C--N 1.304 -1.382 0 N-CA-C 105.805 -1.924 . . . . 0.0 105.805 179.21 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 50' ' ' ILE . . . . . . . . . . . . . 9.9 mm -97.45 110.35 25.11 Favored 'Isoleucine or valine' 0 C--N 1.311 -1.065 0 N-CA-C 109.649 -0.5 . . . . 0.0 109.649 -175.346 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 51.6 m -91.06 122.85 34.06 Favored 'General case' 0 C--N 1.297 -1.705 0 N-CA-C 106.088 -1.819 . . . . 0.0 106.088 169.829 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -151.49 123.85 8.32 Favored 'General case' 0 C--N 1.307 -1.258 0 N-CA-C 107.667 -1.235 . . . . 0.0 107.667 178.335 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 53' ' ' ARG . . . . . . . . . . . . . 67.0 mtt180 61.3 28.45 17.95 Favored 'General case' 0 C--N 1.325 -0.496 0 CA-C-O 121.764 0.792 . . . . 0.0 112.526 177.09 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . 91.94 -10.74 73.82 Favored Glycine 0 N--CA 1.441 -0.983 0 CA-C-N 114.867 -1.06 . . . . 0.0 113.125 177.766 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 55' ' ' HIS . . . . . . . . . . . . . 13.3 m-70 -102.14 127.59 49.0 Favored 'General case' 0 C--N 1.308 -1.212 0 CA-C-N 117.289 0.545 . . . . 0.0 110.29 -177.471 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 12.3 mp0 -85.79 116.82 24.28 Favored 'General case' 0 N--CA 1.436 -1.147 0 N-CA-C 107.379 -1.341 . . . . 0.0 107.379 168.827 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 57' ' ' PHE . . . . . . . . . . . . . 83.4 m-85 -104.12 100.2 9.94 Favored 'General case' 0 N--CA 1.424 -1.74 0 N-CA-C 105.459 -2.052 . . . . 0.0 105.459 175.768 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 58' ' ' GLU . . . . . 0.404 ' HA ' ' O ' ' A' ' 48' ' ' ALA . 31.6 tt0 -93.32 111.81 23.56 Favored 'General case' 0 N--CA 1.423 -1.824 0 N-CA-C 106.258 -1.756 . . . . 0.0 106.258 177.178 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 59' ' ' VAL . . . . . . . . . . . . . 29.9 m -114.96 166.22 9.07 Favored 'Isoleucine or valine' 0 C--N 1.285 -2.23 0 CA-C-N 113.759 -1.564 . . . . 0.0 109.336 -175.178 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 44.0 tt0 -126.4 126.11 43.3 Favored 'General case' 0 C--N 1.282 -2.353 0 N-CA-C 104.951 -2.241 . . . . 0.0 104.951 175.149 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -76.89 89.67 3.49 Favored 'General case' 0 C--N 1.313 -0.99 0 N-CA-C 105.796 -1.928 . . . . 0.0 105.796 175.765 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 30.4 mmmt -61.74 -58.24 8.77 Favored 'General case' 0 C--N 1.315 -0.927 0 CA-C-N 113.953 -1.476 . . . . 0.0 112.009 -172.09 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 23.1 t70 -151.19 173.37 14.5 Favored 'General case' 0 C--N 1.314 -0.974 0 CA-C-N 115.092 -0.958 . . . . 0.0 109.219 -173.515 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 64' ' ' GLN . . . . . . . . . . . . . 16.9 pt20 -64.72 -7.35 10.5 Favored 'General case' 0 C--O 1.238 0.449 0 N-CA-C 115.221 1.563 . . . . 0.0 115.221 -175.436 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 65' ' ' ASN . . . . . . . . . . . . . 19.9 m120 -62.75 -33.79 75.89 Favored 'General case' 0 CA--C 1.515 -0.378 0 N-CA-C 108.161 -1.052 . . . . 0.0 108.161 173.06 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 66' ' ' CYS . . . . . 0.558 ' O ' ' HB1' ' A' ' 82' ' ' ALA . 95.6 m 64.23 31.32 13.17 Favored 'General case' 0 CA--C 1.51 -0.57 0 CA-C-N 114.433 -1.258 . . . . 0.0 113.064 -179.974 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 67' ' ' LYS . . . . . 0.538 ' HA ' ' HE3' ' A' ' 67' ' ' LYS . 0.0 OUTLIER -71.1 134.86 47.35 Favored 'General case' 0 N--CA 1.408 -2.544 0 N-CA-C 106.792 -1.559 . . . . 0.0 106.792 172.415 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 68' ' ' VAL . . . . . . . . . . . . . 3.3 p -72.34 99.86 0.96 Allowed 'Isoleucine or valine' 0 C--N 1.305 -1.351 0 CA-C-O 122.554 1.169 . . . . 0.0 109.86 177.562 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 69' ' ' ILE . . . . . . . . . . . . . 83.4 mt -116.76 120.39 64.89 Favored 'Isoleucine or valine' 0 C--N 1.299 -1.612 0 N-CA-C 106.227 -1.768 . . . . 0.0 106.227 179.498 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 70' ' ' LEU . . . . . 0.456 HD22 ' HB2' ' A' ' 76' ' ' ALA . 3.6 mm? -76.37 157.34 32.47 Favored 'General case' 0 N--CA 1.422 -1.826 0 CA-C-N 114.458 -1.246 . . . . 0.0 109.725 -176.119 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 71' ' ' THR . . . . . . . . . . . . . 30.4 p -63.48 -28.11 69.74 Favored 'General case' 0 C--N 1.293 -1.855 0 CA-C-N 114.786 -1.097 . . . . 0.0 112.036 -178.904 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 72' ' ' ASN . . . . . . . . . . . . . 34.1 p-10 -94.26 6.81 47.49 Favored 'General case' 0 C--N 1.308 -1.196 0 CA-C-N 115.002 -0.999 . . . . 0.0 109.634 -177.104 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 73' ' ' GLY . . . . . . . . . . . . . . . 88.93 7.76 70.23 Favored Glycine 0 N--CA 1.436 -1.364 0 CA-C-N 114.691 -1.14 . . . . 0.0 112.916 171.896 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 42.1 mtmt -80.91 168.45 18.73 Favored 'General case' 0 N--CA 1.427 -1.61 0 C-N-CA 118.41 -1.316 . . . . 0.0 113.309 178.474 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 75' ' ' GLN . . . . . . . . . . . . . 49.9 mt-30 -97.3 151.5 19.83 Favored 'General case' 0 C--N 1.301 -1.509 0 CA-C-N 112.029 -2.35 . . . . 0.0 105.111 171.209 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 76' ' ' ALA . . . . . 0.46 ' CB ' HD22 ' A' ' 80' ' ' LEU . . . -108.56 164.21 15.24 Favored Pre-proline 0 C--N 1.282 -2.337 0 C-N-CA 120.17 -0.612 . . . . 0.0 110.101 -179.596 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 77' ' ' PRO . . . . . . . . . . . . . 49.9 Cg_exo -46.83 149.37 3.2 Favored 'Trans proline' 0 C--N 1.355 0.887 0 C-N-CA 123.685 2.923 . . . . 0.0 114.428 178.871 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 78' ' ' ASP . . . . . . . . . . . . . 30.9 t70 -56.96 -23.48 45.88 Favored 'General case' 0 C--N 1.322 -0.589 0 C-N-CA 125.32 1.448 . . . . 0.0 112.263 -178.061 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 79' ' ' TRP . . . . . 0.412 ' HB3' ' NE2' ' A' ' 31' ' ' HIS . 58.3 p-90 -89.48 -12.35 40.33 Favored 'General case' 0 C--N 1.319 -0.741 0 N-CA-C 112.798 0.666 . . . . 0.0 112.798 179.955 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 80' ' ' LEU . . . . . 0.46 HD22 ' CB ' ' A' ' 76' ' ' ALA . 32.8 tp -91.4 113.92 26.31 Favored 'General case' 0 C--N 1.304 -1.409 0 N-CA-C 106.917 -1.512 . . . . 0.0 106.917 -178.512 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -127.19 161.93 27.36 Favored 'General case' 0 C--N 1.306 -1.292 0 CA-C-O 121.039 0.447 . . . . 0.0 111.178 -175.58 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 82' ' ' ALA . . . . . 0.561 ' HA ' ' O ' ' A' ' 26' ' ' VAL . . . -144.01 140.15 29.42 Favored 'General case' 0 C--N 1.303 -1.433 0 CA-C-N 115.083 -0.962 . . . . 0.0 109.256 174.291 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 8.7 pt-20 -145.7 143.65 20.38 Favored Pre-proline 0 C--N 1.308 -1.204 0 N-CA-C 106.563 -1.643 . . . . 0.0 106.563 178.846 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 84' ' ' PRO . . . . . 0.655 ' HA ' ' O ' ' A' ' 24' ' ' SER . 73.6 Cg_endo -64.22 134.1 40.85 Favored 'Trans proline' 0 C--O 1.24 0.583 0 C-N-CA 122.211 1.941 . . . . 0.0 112.678 -179.805 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 85' ' ' TYR . . . . . . . . . . . . . 0.6 OUTLIER . . . . . 0 C--N 1.322 -0.59 0 CA-C-N 114.375 -1.284 . . . . 0.0 111.768 -173.402 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 22.2 m . . . . . 0 C--O 1.239 0.544 0 CA-C-O 120.989 0.424 . . . . 0.0 110.521 . . . . . . . . . 0 0 . 1 . 016 nuclear orig full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . -149.31 88.22 0.14 Allowed Glycine 0 N--CA 1.433 -1.507 0 N-CA-C 106.655 -2.578 . . . . 0.0 106.655 174.95 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 71.1 mtp180 -123.97 114.62 20.02 Favored 'General case' 0 C--N 1.304 -1.385 0 CA-C-O 121.373 0.606 . . . . 0.0 111.744 -174.279 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -144.68 152.09 39.91 Favored 'General case' 0 N--CA 1.425 -1.691 0 N-CA-C 107.462 -1.311 . . . . 0.0 107.462 173.628 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 11' ' ' ASN . . . . . . . . . . . . . 50.4 t-20 -134.99 89.61 2.54 Favored 'General case' 0 C--N 1.294 -1.809 0 N-CA-C 104.103 -2.554 . . . . 0.0 104.103 175.394 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 4.0 pp -85.43 163.45 18.48 Favored 'General case' 0 C--N 1.307 -1.25 0 CA-C-N 115.251 -0.886 . . . . 0.0 111.563 -175.423 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 13' ' ' TYR . . . . . . . . . . . . . 19.2 m-85 -135.79 143.96 45.5 Favored 'General case' 0 C--N 1.295 -1.788 0 CA-C-N 114.646 -1.161 . . . . 0.0 111.965 -178.023 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 14' ' ' PHE . . . . . . . . . . . . . 81.0 m-85 -128.76 109.64 11.48 Favored 'General case' 0 C--N 1.303 -1.429 0 N-CA-C 105.581 -2.007 . . . . 0.0 105.581 172.204 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 53.6 mt-30 -134.02 164.74 26.64 Favored 'General case' 0 C--N 1.306 -1.286 0 N-CA-C 106.91 -1.515 . . . . 0.0 106.91 -179.838 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . -73.12 89.42 0.58 Allowed Glycine 0 N--CA 1.441 -0.972 0 O-C-N 124.364 1.04 . . . . 0.0 110.714 -178.767 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 17' ' ' HIS . . . . . . . . . . . . . 62.4 m170 -96.85 155.38 16.8 Favored 'General case' 0 C--N 1.308 -1.198 0 N-CA-C 109.061 -0.718 . . . . 0.0 109.061 179.809 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 18' ' ' MET . . . . . . . . . . . . . 9.4 tpt -80.9 176.03 10.17 Favored 'General case' 0 C--N 1.315 -0.906 0 N-CA-C 105.758 -1.941 . . . . 0.0 105.758 175.621 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -28.7 97.22 0.01 OUTLIER 'General case' 0 N--CA 1.489 1.48 0 C-N-CA 125.749 1.619 . . . . 0.0 114.373 -173.645 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -111.11 163.88 16.28 Favored Pre-proline 0 N--CA 1.441 -0.878 0 CA-C-N 113.933 -1.485 . . . . 0.0 109.108 -178.123 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 21' ' ' PRO . . . . . . . . . . . . . 16.5 Cg_exo -70.43 88.59 0.61 Allowed 'Trans proline' 0 N--CA 1.445 -1.377 0 N-CA-C 109.029 -1.181 . . . . 0.0 109.029 172.692 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -101.54 8.15 42.02 Favored 'General case' 0 C--N 1.306 -1.289 0 CA-C-O 122.801 1.286 . . . . 0.0 109.254 179.499 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 23' ' ' ARG . . . . . 0.498 ' C ' HG12 ' A' ' 44' ' ' ILE . 55.9 mtp180 49.55 37.73 13.05 Favored 'General case' 0 C--N 1.303 -1.428 0 CA-C-N 112.229 -2.259 . . . . 0.0 114.281 177.924 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 24' ' ' SER . . . . . 0.597 ' HB2' ' CD1' ' A' ' 85' ' ' TYR . 56.5 m -156.28 139.03 15.17 Favored 'General case' 0 C--N 1.32 -0.715 0 N-CA-C 108.89 -0.781 . . . . 0.0 108.89 174.896 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 25' ' ' CYS . . . . . . . . . . . . . 86.4 m -107.68 131.48 54.36 Favored 'General case' 0 N--CA 1.436 -1.152 0 N-CA-C 106.426 -1.694 . . . . 0.0 106.426 176.441 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 26' ' ' VAL . . . . . 0.448 ' O ' ' HA ' ' A' ' 82' ' ' ALA . 2.6 t -110.66 120.38 61.35 Favored 'Isoleucine or valine' 0 C--N 1.292 -1.919 0 N-CA-C 106.792 -1.558 . . . . 0.0 106.792 -176.417 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 27' ' ' TYR . . . . . . . . . . . . . 28.8 m-85 -94.25 128.77 40.91 Favored 'General case' 0 C--N 1.304 -1.402 0 O-C-N 124.13 0.894 . . . . 0.0 110.21 -175.468 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 28' ' ' TYR . . . . . 0.545 ' HA ' ' O ' ' A' ' 37' ' ' VAL . 86.7 m-85 -124.33 145.78 49.22 Favored 'General case' 0 N--CA 1.418 -2.042 0 CA-C-N 114.183 -1.371 . . . . 0.0 109.288 179.563 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 8.0 t0 -98.35 108.65 21.39 Favored 'General case' 0 C--N 1.298 -1.645 0 N-CA-C 104.84 -2.281 . . . . 0.0 104.84 172.794 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . -170.1 134.82 3.29 Favored Glycine 0 N--CA 1.426 -2.021 0 C-N-CA 119.315 -1.422 . . . . 0.0 112.378 179.12 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 31' ' ' HIS . . . . . . . . . . . . . 22.7 m80 -71.47 -46.89 58.7 Favored 'General case' 0 C--N 1.3 -1.578 0 N-CA-C 106.684 -1.599 . . . . 0.0 106.684 -178.59 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 3.4 mm? -120.25 161.69 37.61 Favored Pre-proline 0 C--N 1.316 -0.887 0 N-CA-C 106.371 -1.714 . . . . 0.0 106.371 176.96 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 33' ' ' PRO . . . . . 0.555 ' O ' ' HG2' ' A' ' 36' ' ' ARG . 14.4 Cg_endo -63.04 -13.38 34.9 Favored 'Trans proline' 0 CA--C 1.54 0.794 0 C-N-CA 122.403 2.069 . . . . 0.0 111.663 174.936 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -78.64 -13.84 59.62 Favored 'General case' 0 C--N 1.32 -0.696 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.489 175.601 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 36.2 p -119.01 5.82 11.34 Favored 'General case' 0 C--N 1.322 -0.592 0 N-CA-C 112.62 0.6 . . . . 0.0 112.62 -176.259 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 36' ' ' ARG . . . . . 0.555 ' HG2' ' O ' ' A' ' 33' ' ' PRO . 34.7 ptt180 -61.86 114.63 3.45 Favored 'General case' 0 CA--C 1.537 0.469 0 N-CA-C 113.146 0.795 . . . . 0.0 113.146 -177.45 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 37' ' ' VAL . . . . . 0.545 ' O ' ' HA ' ' A' ' 28' ' ' TYR . 72.3 t -101.6 127.67 54.75 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.588 0 N-CA-C 107.732 -1.21 . . . . 0.0 107.732 -179.354 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 2.7 tm? -67.59 110.9 3.89 Favored 'General case' 0 C--N 1.316 -0.884 0 N-CA-C 108.833 -0.802 . . . . 0.0 108.833 -177.495 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 96.6 mt -90.98 -61.53 1.65 Allowed 'General case' 0 C--N 1.322 -0.608 0 CA-C-N 116.754 -0.203 . . . . 0.0 111.058 178.955 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 40' ' ' MET . . . . . . . . . . . . . 29.0 ttp -170.06 156.98 6.27 Favored 'General case' 0 N--CA 1.445 -0.704 0 CA-C-N 116.292 -0.413 . . . . 0.0 110.203 -177.8 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 41' ' ' TYR . . . . . . . . . . . . . 34.6 m-85 -98.29 138.98 34.75 Favored 'General case' 0 C--N 1.315 -0.911 0 C-N-CA 124.385 1.074 . . . . 0.0 108.82 175.807 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 46.0 t -127.59 128.59 69.81 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.812 0 N-CA-C 107.692 -1.225 . . . . 0.0 107.692 176.6 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 43' ' ' ARG . . . . . 0.42 ' HD2' ' OG ' ' A' ' 24' ' ' SER . 2.8 tpt180 -75.01 138.39 42.17 Favored 'General case' 0 C--N 1.307 -1.28 0 N-CA-C 108.364 -0.976 . . . . 0.0 108.364 -178.245 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 44' ' ' ILE . . . . . 0.498 HG12 ' C ' ' A' ' 23' ' ' ARG . 45.4 mm -59.7 120.79 6.02 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.113 0 CA-C-O 121.781 0.8 . . . . 0.0 110.012 178.211 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . 113.03 -10.97 24.81 Favored Glycine 0 C--N 1.292 -1.873 0 CA-C-N 114.512 -1.222 . . . . 0.0 110.613 177.555 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 46' ' ' ASN . . . . . . . . . . . . . 54.2 t30 -108.81 158.49 17.6 Favored 'General case' 0 C--N 1.31 -1.126 0 CA-C-O 121.77 0.795 . . . . 0.0 110.505 -177.194 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 40.2 p -108.6 152.78 24.31 Favored 'General case' 0 C--N 1.291 -1.959 0 CA-C-N 114.535 -1.211 . . . . 0.0 108.236 177.728 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -153.66 149.76 27.88 Favored 'General case' 0 C--N 1.295 -1.783 0 C-N-CA 120.251 -0.58 . . . . 0.0 111.041 -179.135 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 26.5 m -103.97 116.25 31.92 Favored 'General case' 0 C--N 1.303 -1.434 0 N-CA-C 108.452 -0.944 . . . . 0.0 108.452 178.528 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 50' ' ' ILE . . . . . . . . . . . . . 10.8 mm -106.03 113.92 44.04 Favored 'Isoleucine or valine' 0 C--O 1.211 -0.928 0 N-CA-C 108.778 -0.823 . . . . 0.0 108.778 -178.455 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 19.5 m -87.32 123.49 32.36 Favored 'General case' 0 C--N 1.297 -1.707 0 C-N-CA 116.92 -1.912 . . . . 0.0 105.844 172.16 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -146.42 121.78 10.28 Favored 'General case' 0 C--N 1.306 -1.323 0 N-CA-C 107.682 -1.229 . . . . 0.0 107.682 179.77 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 53' ' ' ARG . . . . . 0.46 ' HD2' ' CZ2' ' A' ' 79' ' ' TRP . 85.1 mtt180 61.96 22.66 13.23 Favored 'General case' 0 C--N 1.323 -0.551 0 C-N-CA 124.985 1.314 . . . . 0.0 111.233 -179.212 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . 89.66 3.53 74.24 Favored Glycine 0 N--CA 1.447 -0.627 0 CA-C-N 115.156 -0.929 . . . . 0.0 113.039 -179.23 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 55' ' ' HIS . . . . . . . . . . . . . 69.5 m-70 -107.98 127.9 54.17 Favored 'General case' 0 C--N 1.313 -0.993 0 N-CA-C 108.46 -0.941 . . . . 0.0 108.46 176.927 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 8.6 mt-10 -90.1 116.78 28.38 Favored 'General case' 0 C--N 1.306 -1.314 0 N-CA-C 109.094 -0.706 . . . . 0.0 109.094 173.701 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 57' ' ' PHE . . . . . . . . . . . . . 90.0 m-85 -101.62 104.48 15.34 Favored 'General case' 0 N--CA 1.414 -2.251 0 N-CA-C 106.936 -1.505 . . . . 0.0 106.936 180.0 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 34.0 tt0 -91.1 110.28 21.54 Favored 'General case' 0 N--CA 1.421 -1.901 0 N-CA-C 103.193 -2.892 . . . . 0.0 103.193 177.286 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 59' ' ' VAL . . . . . 0.437 HG12 HD11 ' A' ' 70' ' ' LEU . 22.0 m -112.37 165.09 7.56 Favored 'Isoleucine or valine' 0 C--N 1.292 -1.898 0 CA-C-N 115.409 -0.814 . . . . 0.0 110.609 -174.898 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 38.1 tt0 -124.77 104.64 8.75 Favored 'General case' 0 N--CA 1.418 -2.034 0 N-CA-C 105.377 -2.083 . . . . 0.0 105.377 176.555 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -78.0 88.51 4.15 Favored 'General case' 0 C--N 1.317 -0.806 0 N-CA-C 106.29 -1.745 . . . . 0.0 106.29 178.5 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 19.3 ptmt -84.55 -35.01 23.12 Favored 'General case' 0 C--N 1.302 -1.468 0 N-CA-C 114.456 1.28 . . . . 0.0 114.456 -173.333 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 19.9 t70 -146.19 155.98 43.09 Favored 'General case' 0 C--N 1.317 -0.82 0 N-CA-C 109.584 -0.525 . . . . 0.0 109.584 -175.902 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 64' ' ' GLN . . . . . . . . . . . . . 0.9 OUTLIER -62.51 -5.69 2.78 Favored 'General case' 0 C--N 1.326 -0.436 0 C-N-CA 125.423 1.489 . . . . 0.0 114.626 -179.434 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 65' ' ' ASN . . . . . 0.419 ' OD1' ' HB2' ' A' ' 67' ' ' LYS . 22.4 t-20 -66.09 -32.36 73.77 Favored 'General case' 0 C--N 1.33 -0.281 0 N-CA-C 108.241 -1.022 . . . . 0.0 108.241 171.564 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 66' ' ' CYS . . . . . 0.49 ' O ' ' HB2' ' A' ' 82' ' ' ALA . 84.0 m 62.55 32.91 16.27 Favored 'General case' 0 CA--C 1.51 -0.561 0 N-CA-C 114.976 1.473 . . . . 0.0 114.976 176.751 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 67' ' ' LYS . . . . . 0.517 ' HA ' ' HE3' ' A' ' 67' ' ' LYS . 0.0 OUTLIER -67.59 132.11 46.92 Favored 'General case' 0 N--CA 1.412 -2.346 0 N-CA-C 107.462 -1.31 . . . . 0.0 107.462 171.4 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 68' ' ' VAL . . . . . 0.408 HG21 HD21 ' A' ' 80' ' ' LEU . 7.1 p -71.67 106.18 2.15 Favored 'Isoleucine or valine' 0 C--N 1.307 -1.266 0 CA-C-O 122.735 1.255 . . . . 0.0 110.999 179.314 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 69' ' ' ILE . . . . . . . . . . . . . 95.8 mt -124.46 119.68 57.05 Favored 'Isoleucine or valine' 0 N--CA 1.428 -1.566 0 N-CA-C 106.13 -1.804 . . . . 0.0 106.13 179.231 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 70' ' ' LEU . . . . . 0.482 HD23 ' HB3' ' A' ' 76' ' ' ALA . 2.9 mm? -79.76 157.21 27.17 Favored 'General case' 0 N--CA 1.426 -1.672 0 CA-C-N 114.841 -1.072 . . . . 0.0 109.558 -177.145 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 71' ' ' THR . . . . . . . . . . . . . 55.6 p -64.22 -23.6 67.37 Favored 'General case' 0 C--N 1.292 -1.928 0 CA-C-N 114.359 -1.292 . . . . 0.0 111.444 178.478 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 72' ' ' ASN . . . . . . . . . . . . . 57.0 m-80 -78.22 -6.68 55.63 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 115.156 -0.929 . . . . 0.0 109.72 178.439 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 73' ' ' GLY . . . . . . . . . . . . . . . 83.77 32.59 23.84 Favored Glycine 0 CA--C 1.495 -1.202 0 N-CA-C 109.843 -1.303 . . . . 0.0 109.843 177.45 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 74.1 mmtt -114.1 169.66 8.85 Favored 'General case' 0 N--CA 1.43 -1.428 0 CA-C-N 114.268 -0.966 . . . . 0.0 111.77 -175.837 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 75' ' ' GLN . . . . . . . . . . . . . 55.5 mt-30 -97.7 147.61 24.17 Favored 'General case' 0 C--N 1.31 -1.119 0 CA-C-N 113.895 -1.502 . . . . 0.0 106.995 172.328 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 76' ' ' ALA . . . . . 0.482 ' HB3' HD23 ' A' ' 70' ' ' LEU . . . -104.57 170.93 5.48 Favored Pre-proline 0 C--N 1.301 -1.536 0 N-CA-C 107.45 -1.315 . . . . 0.0 107.45 177.699 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 77' ' ' PRO . . . . . . . . . . . . . 56.9 Cg_exo -58.55 156.06 33.5 Favored 'Trans proline' 0 C--N 1.349 0.567 0 C-N-CA 122.216 1.944 . . . . 0.0 113.087 178.61 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 78' ' ' ASP . . . . . . . . . . . . . 8.5 p-10 -63.06 -24.77 68.06 Favored 'General case' 0 C--N 1.317 -0.815 0 C-N-CA 124.122 0.969 . . . . 0.0 111.702 -178.012 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 79' ' ' TRP . . . . . 0.46 ' CZ2' ' HD2' ' A' ' 53' ' ' ARG . 53.4 p-90 -77.0 -16.07 59.44 Favored 'General case' 0 N--CA 1.45 -0.47 0 CA-C-O 120.972 0.415 . . . . 0.0 111.704 179.827 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 80' ' ' LEU . . . . . 0.415 HD21 ' CB ' ' A' ' 76' ' ' ALA . 50.9 tp -87.25 99.01 11.65 Favored 'General case' 0 N--CA 1.435 -1.179 0 N-CA-C 107.334 -1.358 . . . . 0.0 107.334 -179.299 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -109.43 125.64 52.63 Favored 'General case' 0 C--N 1.303 -1.44 0 C-N-CA 119.858 -0.737 . . . . 0.0 112.066 -173.769 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 82' ' ' ALA . . . . . 0.49 ' HB2' ' O ' ' A' ' 66' ' ' CYS . . . -111.25 135.9 51.12 Favored 'General case' 0 C--N 1.298 -1.647 0 N-CA-C 108.418 -0.956 . . . . 0.0 108.418 174.56 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 8.3 pt-20 -139.54 141.73 29.42 Favored Pre-proline 0 C--N 1.305 -1.342 0 N-CA-C 107.171 -1.418 . . . . 0.0 107.171 177.332 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 84' ' ' PRO . . . . . 0.568 ' HA ' ' O ' ' A' ' 24' ' ' SER . 52.0 Cg_endo -71.0 132.4 21.28 Favored 'Trans proline' 0 CA--C 1.542 0.898 0 C-N-CA 122.379 2.052 . . . . 0.0 111.754 -178.631 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 85' ' ' TYR . . . . . 0.597 ' CD1' ' HB2' ' A' ' 24' ' ' SER 0.305 0.2 OUTLIER . . . . . 0 C--O 1.246 0.888 0 N-CA-C 116.673 2.101 . . . . 0.0 116.673 -170.553 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 13.9 p . . . . . 0 C--O 1.237 0.409 0 N-CA-C 109.38 -0.6 . . . . 0.0 109.38 . . . . . . . . . 0 0 . 1 . 017 nuclear orig full ' A' A ' 8' ' ' GLY . . . . . 0.421 ' HA3' ' HB3' ' A' ' 31' ' ' HIS . . . -107.51 89.73 0.6 Allowed Glycine 0 N--CA 1.43 -1.733 0 C-N-CA 120.555 -0.831 . . . . 0.0 112.057 -179.297 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 28.8 ptt180 -112.04 158.37 19.64 Favored 'General case' 0 C--N 1.307 -1.28 0 N-CA-C 105.767 -1.938 . . . . 0.0 105.767 175.768 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 39.0 tt0 -77.12 93.89 3.97 Favored 'General case' 0 N--CA 1.434 -1.26 0 CA-C-O 122.111 0.958 . . . . 0.0 111.135 -177.841 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 11' ' ' ASN . . . . . . . . . . . . . 40.8 t30 -126.04 151.35 47.25 Favored 'General case' 0 C--N 1.295 -1.768 0 N-CA-C 104.183 -2.525 . . . . 0.0 104.183 173.095 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 4.6 pp -80.88 143.51 32.67 Favored 'General case' 0 C--N 1.305 -1.346 0 C-N-CA 119.419 -0.913 . . . . 0.0 109.173 179.93 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 13' ' ' TYR . . . . . . . . . . . . . 78.6 m-85 -149.02 167.99 24.33 Favored 'General case' 0 C--N 1.282 -2.351 0 N-CA-C 105.02 -2.215 . . . . 0.0 105.02 179.443 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 14' ' ' PHE . . . . . . . . . . . . . 52.1 t80 -73.34 148.71 43.2 Favored 'General case' 0 C--N 1.31 -1.131 0 N-CA-C 107.16 -1.422 . . . . 0.0 107.16 175.516 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 51.3 mt-30 -80.38 177.11 9.2 Favored 'General case' 0 C--N 1.309 -1.19 0 CA-C-O 121.356 0.598 . . . . 0.0 110.106 -178.224 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . -78.69 145.59 29.02 Favored Glycine 0 N--CA 1.427 -1.905 0 N-CA-C 107.541 -2.224 . . . . 0.0 107.541 174.936 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 17' ' ' HIS . . . . . . . . . . . . . 62.0 m80 -64.72 126.99 29.68 Favored 'General case' 0 C--N 1.309 -1.184 0 N-CA-C 106.511 -1.663 . . . . 0.0 106.511 178.737 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 18' ' ' MET . . . . . . . . . . . . . 16.1 tpt -56.78 121.59 10.18 Favored 'General case' 0 C--N 1.321 -0.635 0 CA-C-O 121.641 0.734 . . . . 0.0 112.461 -172.113 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -84.15 140.17 31.94 Favored 'General case' 0 N--CA 1.429 -1.49 0 CA-C-N 114.407 -1.27 . . . . 0.0 108.768 -178.914 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -89.39 145.27 33.6 Favored Pre-proline 0 C--N 1.302 -1.467 0 CA-C-N 115.347 -0.842 . . . . 0.0 109.195 -179.356 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 21' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -57.8 115.92 2.86 Favored 'Trans proline' 0 CA--C 1.534 0.522 0 C-N-CA 122.9 2.4 . . . . 0.0 110.417 177.67 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -128.33 19.99 6.3 Favored 'General case' 0 C--N 1.314 -0.953 0 N-CA-C 113.742 1.015 . . . . 0.0 113.742 -173.373 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 23' ' ' ARG . . . . . 0.408 ' C ' HG12 ' A' ' 44' ' ' ILE . 19.7 ttm-85 65.34 25.18 12.1 Favored 'General case' 0 C--N 1.304 -1.398 0 C-N-CA 125.073 1.349 . . . . 0.0 114.203 179.551 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 24' ' ' SER . . . . . 0.672 ' HB2' ' CD2' ' A' ' 85' ' ' TYR . 74.7 m -155.01 141.48 18.75 Favored 'General case' 0 C--N 1.315 -0.896 0 O-C-N 120.114 -1.616 . . . . 0.0 109.315 172.854 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 25' ' ' CYS . . . . . . . . . . . . . 94.8 m -107.66 131.41 54.42 Favored 'General case' 0 CA--C 1.497 -1.066 0 N-CA-C 106.78 -1.563 . . . . 0.0 106.78 177.74 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 26' ' ' VAL . . . . . 0.588 ' O ' ' HA ' ' A' ' 82' ' ' ALA . 2.9 t -112.39 123.35 68.03 Favored 'Isoleucine or valine' 0 C--N 1.291 -1.953 0 N-CA-C 106.913 -1.514 . . . . 0.0 106.913 -176.144 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 27' ' ' TYR . . . . . 0.402 ' HA ' ' O ' ' A' ' 81' ' ' ALA . 58.1 m-85 -93.96 135.22 35.53 Favored 'General case' 0 C--N 1.295 -1.8 0 O-C-N 124.436 1.085 . . . . 0.0 109.962 -174.627 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 28' ' ' TYR . . . . . 0.431 ' HA ' ' O ' ' A' ' 37' ' ' VAL . 37.4 m-85 -127.53 146.63 50.45 Favored 'General case' 0 N--CA 1.42 -1.957 0 CA-C-N 114.691 -1.141 . . . . 0.0 108.68 -179.048 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 15.7 t0 -97.97 107.06 19.45 Favored 'General case' 0 C--N 1.293 -1.887 0 N-CA-C 104.46 -2.422 . . . . 0.0 104.46 173.335 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . -162.88 129.2 1.99 Allowed Glycine 0 N--CA 1.425 -2.086 0 C-N-CA 118.015 -2.04 . . . . 0.0 114.864 -179.31 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 31' ' ' HIS . . . . . 0.421 ' HB3' ' HA3' ' A' ' 8' ' ' GLY . 31.0 m170 -73.66 -34.27 64.87 Favored 'General case' 0 C--N 1.299 -1.596 0 CA-C-N 112.685 -1.758 . . . . 0.0 107.836 177.492 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 28.8 mt -129.3 157.55 75.8 Favored Pre-proline 0 N--CA 1.44 -0.937 0 N-CA-C 104.604 -2.369 . . . . 0.0 104.604 179.842 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 33' ' ' PRO . . . . . . . . . . . . . 39.4 Cg_endo -69.61 -6.89 19.61 Favored 'Trans proline' 0 CA--C 1.536 0.587 0 C-N-CA 121.878 1.719 . . . . 0.0 110.836 174.61 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -90.58 -47.13 7.87 Favored 'General case' 0 N--CA 1.45 -0.459 0 CA-C-O 121.424 0.63 . . . . 0.0 110.848 -178.121 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 17.1 p -93.76 21.7 6.24 Favored 'General case' 0 C--N 1.315 -0.902 0 N-CA-C 112.85 0.685 . . . . 0.0 112.85 -174.485 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 35.9 ptt180 -76.96 160.43 29.17 Favored 'General case' 0 C--N 1.315 -0.928 0 N-CA-C 112.497 0.554 . . . . 0.0 112.497 -176.427 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 37' ' ' VAL . . . . . 0.431 ' O ' ' HA ' ' A' ' 28' ' ' TYR . 46.9 t -127.69 133.65 67.15 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 N-CA-C 107.944 -1.132 . . . . 0.0 107.944 -176.119 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 2.5 tm? -72.39 112.76 8.74 Favored 'General case' 0 C--N 1.317 -0.84 0 N-CA-C 108.211 -1.033 . . . . 0.0 108.211 -179.274 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 98.1 mt -91.1 -61.76 1.59 Allowed 'General case' 0 C--N 1.32 -0.698 0 N-CA-C 112.368 0.507 . . . . 0.0 112.368 179.928 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 40' ' ' MET . . . . . . . . . . . . . 2.2 ttp -169.67 159.74 8.4 Favored 'General case' 0 CA--C 1.509 -0.616 0 CA-C-O 120.855 0.36 . . . . 0.0 110.977 -174.891 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 41' ' ' TYR . . . . . . . . . . . . . 17.6 m-85 -104.5 138.37 40.97 Favored 'General case' 0 C--N 1.31 -1.126 0 N-CA-C 107.676 -1.231 . . . . 0.0 107.676 178.122 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 29.7 t -130.32 119.26 45.94 Favored 'Isoleucine or valine' 0 C--N 1.308 -1.198 0 N-CA-C 108.781 -0.822 . . . . 0.0 108.781 176.807 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 3.3 tmt_? -63.2 133.67 54.68 Favored 'General case' 0 C--N 1.311 -1.082 0 N-CA-C 108.861 -0.792 . . . . 0.0 108.861 177.384 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 44' ' ' ILE . . . . . 0.479 HG13 ' HG2' ' A' ' 64' ' ' GLN . 21.5 mm -59.61 120.4 5.37 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.101 0 O-C-N 123.529 0.518 . . . . 0.0 109.945 -179.959 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . 105.19 3.62 41.51 Favored Glycine 0 C--N 1.301 -1.383 0 N-CA-C 110.279 -1.128 . . . . 0.0 110.279 -179.413 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 46' ' ' ASN . . . . . . . . . . . . . 54.0 t30 -118.78 160.16 22.4 Favored 'General case' 0 N--CA 1.437 -1.078 0 CA-C-O 121.647 0.737 . . . . 0.0 109.798 179.126 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 18.2 p -107.53 157.18 18.24 Favored 'General case' 0 C--N 1.289 -2.058 0 CA-C-N 114.657 -1.156 . . . . 0.0 109.055 178.111 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -154.48 143.13 20.78 Favored 'General case' 0 C--N 1.3 -1.579 0 CA-C-N 116.195 -0.457 . . . . 0.0 112.145 176.712 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 27.3 m -94.23 106.4 18.38 Favored 'General case' 0 C--N 1.311 -1.07 0 N-CA-C 107.119 -1.437 . . . . 0.0 107.119 175.981 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 50' ' ' ILE . . . . . 0.401 ' O ' ' HA ' ' A' ' 56' ' ' GLU . 22.9 mm -96.89 110.87 25.7 Favored 'Isoleucine or valine' 0 C--N 1.312 -1.034 0 N-CA-C 109.01 -0.737 . . . . 0.0 109.01 -176.956 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 51' ' ' THR . . . . . 0.402 ' HA ' ' O ' ' A' ' 55' ' ' HIS . 11.2 m -94.37 123.49 37.81 Favored 'General case' 0 C--N 1.294 -1.844 0 C-N-CA 116.96 -1.896 . . . . 0.0 106.909 172.715 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -142.65 127.96 18.79 Favored 'General case' 0 C--N 1.308 -1.2 0 N-CA-C 106.941 -1.503 . . . . 0.0 106.941 179.651 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 53' ' ' ARG . . . . . . . . . . . . . 71.8 mtt180 58.4 25.57 13.05 Favored 'General case' 0 N--CA 1.473 0.7 0 C-N-CA 124.923 1.289 . . . . 0.0 110.938 -177.38 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . 83.86 5.32 88.03 Favored Glycine 0 N--CA 1.442 -0.965 0 CA-C-N 115.02 -0.991 . . . . 0.0 112.855 -179.525 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 55' ' ' HIS . . . . . 0.402 ' O ' ' HA ' ' A' ' 51' ' ' THR . 70.3 m-70 -106.66 131.98 53.18 Favored 'General case' 0 C--N 1.319 -0.746 0 N-CA-C 108.813 -0.81 . . . . 0.0 108.813 179.223 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 56' ' ' GLU . . . . . 0.401 ' HA ' ' O ' ' A' ' 50' ' ' ILE . 2.3 mp0 -94.86 127.34 40.81 Favored 'General case' 0 N--CA 1.433 -1.323 0 CA-C-O 121.075 0.464 . . . . 0.0 109.909 176.466 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 57' ' ' PHE . . . . . . . . . . . . . 83.4 m-85 -114.94 107.48 15.44 Favored 'General case' 0 N--CA 1.418 -2.066 0 N-CA-C 105.668 -1.975 . . . . 0.0 105.668 177.562 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 34.7 tt0 -87.46 110.11 20.07 Favored 'General case' 0 N--CA 1.425 -1.699 0 N-CA-C 104.543 -2.391 . . . . 0.0 104.543 178.556 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 59' ' ' VAL . . . . . 0.535 ' HA ' ' HA ' ' A' ' 70' ' ' LEU . 16.5 m -106.81 160.47 6.2 Favored 'Isoleucine or valine' 0 C--N 1.298 -1.634 0 CA-C-N 115.842 -0.617 . . . . 0.0 110.376 -175.409 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 33.9 tt0 -123.88 113.8 18.98 Favored 'General case' 0 C--N 1.297 -1.679 0 N-CA-C 104.111 -2.551 . . . . 0.0 104.111 174.236 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -76.5 90.85 3.3 Favored 'General case' 0 C--N 1.312 -1.038 0 N-CA-C 108.963 -0.755 . . . . 0.0 108.963 -179.925 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 75.2 mmtt -64.82 -58.75 5.38 Favored 'General case' 0 C--N 1.32 -0.701 0 CA-C-N 113.791 -1.549 . . . . 0.0 113.04 -175.611 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 23.1 t70 -148.98 165.73 30.74 Favored 'General case' 0 C--N 1.306 -1.283 0 CA-C-N 114.943 -1.026 . . . . 0.0 109.375 -172.695 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 64' ' ' GLN . . . . . 0.479 ' HG2' HG13 ' A' ' 44' ' ' ILE . 37.9 mt-30 -73.22 0.82 10.72 Favored 'General case' 0 C--N 1.33 -0.256 0 C-N-CA 124.471 1.108 . . . . 0.0 112.38 -174.39 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 65' ' ' ASN . . . . . . . . . . . . . 62.9 t30 -69.82 -26.2 64.12 Favored 'General case' 0 C--N 1.326 -0.448 0 N-CA-C 107.689 -1.226 . . . . 0.0 107.689 172.145 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 66' ' ' CYS . . . . . . . . . . . . . 78.4 m 59.02 45.46 14.78 Favored 'General case' 0 C--N 1.329 -0.301 0 N-CA-C 116.001 1.852 . . . . 0.0 116.001 174.13 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 67' ' ' LYS . . . . . 0.52 ' HA ' ' HE3' ' A' ' 67' ' ' LYS . 0.1 OUTLIER -76.29 136.4 39.62 Favored 'General case' 0 N--CA 1.417 -2.088 0 N-CA-C 106.101 -1.815 . . . . 0.0 106.101 169.223 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 68' ' ' VAL . . . . . . . . . . . . . 7.5 p -75.82 103.7 3.55 Favored 'Isoleucine or valine' 0 C--N 1.305 -1.365 0 CA-C-O 122.438 1.114 . . . . 0.0 110.373 177.594 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 69' ' ' ILE . . . . . . . . . . . . . 93.8 mt -120.99 123.22 69.65 Favored 'Isoleucine or valine' 0 C--N 1.302 -1.494 0 N-CA-C 106.162 -1.792 . . . . 0.0 106.162 179.671 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 70' ' ' LEU . . . . . 0.535 ' HA ' ' HA ' ' A' ' 59' ' ' VAL . 1.4 mm? -81.75 160.53 23.58 Favored 'General case' 0 N--CA 1.412 -2.349 0 N-CA-C 108.11 -1.07 . . . . 0.0 108.11 -178.938 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 71' ' ' THR . . . . . . . . . . . . . 37.3 p -54.48 -30.93 54.77 Favored 'General case' 0 C--N 1.288 -2.087 0 N-CA-C 114.395 1.257 . . . . 0.0 114.395 -179.682 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 72' ' ' ASN . . . . . 0.407 ' OD1' ' HB2' ' A' ' 70' ' ' LEU . 14.2 p30 -73.67 -15.76 61.23 Favored 'General case' 0 C--N 1.309 -1.156 0 CA-C-N 115.462 -0.79 . . . . 0.0 110.621 178.91 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 73' ' ' GLY . . . . . . . . . . . . . . . 105.75 2.46 39.99 Favored Glycine 0 CA--C 1.508 -0.395 0 CA-C-N 115.53 -0.759 . . . . 0.0 112.257 174.134 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 69.4 mmtt -87.99 166.62 14.35 Favored 'General case' 0 C--N 1.304 -1.403 0 CA-C-N 114.946 -0.627 . . . . 0.0 110.429 -177.526 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 75' ' ' GLN . . . . . . . . . . . . . 50.2 tt0 -103.07 141.76 35.28 Favored 'General case' 0 C--N 1.294 -1.821 0 N-CA-C 106.232 -1.766 . . . . 0.0 106.232 174.495 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 76' ' ' ALA . . . . . 0.457 ' CB ' HD23 ' A' ' 80' ' ' LEU . . . -82.72 175.63 4.6 Favored Pre-proline 0 C--N 1.303 -1.454 0 CA-C-O 118.981 -0.533 . . . . 0.0 110.677 -177.628 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 77' ' ' PRO . . . . . . . . . . . . . 51.4 Cg_exo -58.64 150.25 71.07 Favored 'Trans proline' 0 C--N 1.364 1.371 0 C-N-CA 122.551 2.168 . . . . 0.0 111.834 177.175 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 78' ' ' ASP . . . . . . . . . . . . . 23.9 t70 -49.84 -32.02 13.28 Favored 'General case' 0 C--N 1.322 -0.62 0 C-N-CA 125.276 1.43 . . . . 0.0 113.441 -178.251 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 79' ' ' TRP . . . . . . . . . . . . . 66.5 p-90 -74.08 -19.39 60.62 Favored 'General case' 0 C--N 1.329 -0.325 0 N-CA-C 112.687 0.625 . . . . 0.0 112.687 -179.183 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 80' ' ' LEU . . . . . 0.457 HD23 ' CB ' ' A' ' 76' ' ' ALA . 38.7 tp -85.26 107.89 17.51 Favored 'General case' 0 N--CA 1.434 -1.265 0 N-CA-C 107.497 -1.298 . . . . 0.0 107.497 179.855 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 81' ' ' ALA . . . . . 0.402 ' O ' ' HA ' ' A' ' 27' ' ' TYR . . . -108.7 164.31 12.48 Favored 'General case' 0 C--N 1.308 -1.196 0 CA-C-N 115.858 -0.61 . . . . 0.0 111.023 -176.294 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 82' ' ' ALA . . . . . 0.588 ' HA ' ' O ' ' A' ' 26' ' ' VAL . . . -150.6 138.29 19.82 Favored 'General case' 0 C--N 1.302 -1.494 0 CA-C-N 114.43 -1.259 . . . . 0.0 109.253 175.961 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 11.9 pt-20 -139.47 145.77 45.34 Favored Pre-proline 0 C--N 1.315 -0.896 0 N-CA-C 106.603 -1.628 . . . . 0.0 106.603 175.181 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 84' ' ' PRO . . . . . 0.655 ' HA ' ' O ' ' A' ' 24' ' ' SER . 98.4 Cg_endo -70.69 122.33 8.77 Favored 'Trans proline' 0 N--CA 1.453 -0.883 0 C-N-CA 121.77 1.646 . . . . 0.0 110.711 176.383 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 85' ' ' TYR . . . . . 0.672 ' CD2' ' HB2' ' A' ' 24' ' ' SER . 0.5 OUTLIER . . . . . 0 C--O 1.243 0.715 0 C-N-CA 125.722 1.609 . . . . 0.0 114.98 -170.425 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 18.2 m . . . . . 0 C--O 1.235 0.342 0 N-CA-C 107.837 -1.172 . . . . 0.0 107.837 . . . . . . . . . 0 0 . 1 . 018 nuclear orig full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . -118.51 114.98 2.99 Favored Glycine 0 N--CA 1.432 -1.619 0 C-N-CA 119.268 -1.444 . . . . 0.0 114.765 -174.048 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 78.8 mtm180 -148.67 143.04 26.24 Favored 'General case' 0 C--N 1.314 -0.947 0 N-CA-C 106.033 -1.84 . . . . 0.0 106.033 171.774 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 42.7 mt-10 -83.89 97.73 9.37 Favored 'General case' 0 C--N 1.31 -1.127 0 CA-C-O 122.488 1.137 . . . . 0.0 112.58 -175.603 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 11' ' ' ASN . . . . . . . . . . . . . 42.1 m-80 -112.81 155.68 24.21 Favored 'General case' 0 C--N 1.301 -1.505 0 N-CA-C 105.076 -2.194 . . . . 0.0 105.076 177.603 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 37.5 mt -57.98 141.07 50.84 Favored 'General case' 0 CA--C 1.492 -1.253 0 CA-C-O 121.652 0.739 . . . . 0.0 110.838 177.299 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 13' ' ' TYR . . . . . . . . . . . . . 24.5 t80 -72.41 151.36 42.67 Favored 'General case' 0 C--N 1.297 -1.715 0 CA-C-N 114.097 -1.41 . . . . 0.0 107.434 -177.089 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 14' ' ' PHE . . . . . . . . . . . . . 70.7 m-85 -66.62 124.86 24.02 Favored 'General case' 0 C--N 1.295 -1.769 0 CA-C-N 115.604 -0.725 . . . . 0.0 109.601 -176.192 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 74.0 mt-30 -48.38 112.34 0.58 Allowed 'General case' 0 C--N 1.32 -0.691 0 CA-C-N 113.593 -1.64 . . . . 0.0 115.162 -171.067 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . -108.64 -178.12 21.74 Favored Glycine 0 N--CA 1.436 -1.303 0 N-CA-C 107.036 -2.426 . . . . 0.0 107.036 175.3 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 17' ' ' HIS . . . . . . . . . . . . . 68.6 m80 -67.39 118.31 10.56 Favored 'General case' 0 C--N 1.311 -1.07 0 CA-C-N 118.148 0.974 . . . . 0.0 110.022 178.08 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 18' ' ' MET . . . . . . . . . . . . . 23.3 mmt -75.39 166.56 23.41 Favored 'General case' 0 C--N 1.316 -0.886 0 CA-C-N 114.844 -1.071 . . . . 0.0 112.526 -176.344 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -70.99 104.8 3.09 Favored 'General case' 0 C--N 1.317 -0.806 0 CA-C-N 114.54 -1.209 . . . . 0.0 109.004 179.185 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -99.67 153.42 37.78 Favored Pre-proline 0 C--N 1.309 -1.182 0 CA-C-N 115.489 -0.778 . . . . 0.0 111.472 -175.123 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 21' ' ' PRO . . . . . 0.433 ' HA ' ' NE2' ' A' ' 64' ' ' GLN . 32.3 Cg_endo -65.31 110.26 1.53 Allowed 'Trans proline' 0 C--O 1.238 0.478 0 C-N-CA 122.496 2.131 . . . . 0.0 108.892 174.031 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -143.03 6.84 1.58 Allowed 'General case' 0 CA--C 1.502 -0.889 0 N-CA-C 112.999 0.741 . . . . 0.0 112.999 -175.65 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 23' ' ' ARG . . . . . 0.557 ' C ' HG12 ' A' ' 44' ' ' ILE . 56.0 mtt180 44.03 41.87 4.37 Favored 'General case' 0 C--N 1.301 -1.512 0 CA-C-N 113.9 -1.5 . . . . 0.0 112.683 -177.574 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 24' ' ' SER . . . . . 0.524 ' O ' ' HA ' ' A' ' 84' ' ' PRO . 14.6 m -153.03 131.85 12.43 Favored 'General case' 0 N--CA 1.443 -0.788 0 N-CA-C 108.151 -1.055 . . . . 0.0 108.151 178.628 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 25' ' ' CYS . . . . . . . . . . . . . 32.8 m -107.67 130.75 54.89 Favored 'General case' 0 CA--C 1.488 -1.422 0 N-CA-C 104.611 -2.366 . . . . 0.0 104.611 173.152 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 26' ' ' VAL . . . . . 0.499 ' O ' ' HA ' ' A' ' 82' ' ' ALA . 3.1 t -107.29 119.61 57.2 Favored 'Isoleucine or valine' 0 C--N 1.284 -2.272 0 N-CA-C 106.242 -1.762 . . . . 0.0 106.242 -175.28 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 27' ' ' TYR . . . . . . . . . . . . . 16.0 m-85 -89.7 131.07 35.86 Favored 'General case' 0 C--N 1.291 -1.963 0 CA-C-N 114.961 -1.018 . . . . 0.0 109.472 -174.358 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 28' ' ' TYR . . . . . 0.531 ' HB3' ' HB3' ' A' ' 36' ' ' ARG . 86.3 m-85 -127.84 168.75 14.74 Favored 'General case' 0 N--CA 1.41 -2.435 0 CA-C-N 113.961 -1.472 . . . . 0.0 110.227 -177.359 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 29' ' ' ASP . . . . . 0.44 ' HB3' ' HB ' ' A' ' 37' ' ' VAL . 5.6 t0 -118.26 101.13 7.96 Favored 'General case' 0 C--N 1.298 -1.632 0 N-CA-C 104.855 -2.276 . . . . 0.0 104.855 -179.922 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . -173.47 143.63 7.26 Favored Glycine 0 CA--C 1.489 -1.545 0 C-N-CA 120.578 -0.82 . . . . 0.0 111.873 179.408 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 31' ' ' HIS . . . . . . . . . . . . . 87.6 m-70 -83.79 -40.55 18.61 Favored 'General case' 0 C--N 1.298 -1.631 0 N-CA-C 107.568 -1.271 . . . . 0.0 107.568 176.769 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 9.2 mp -99.53 155.29 36.66 Favored Pre-proline 0 C--N 1.313 -0.992 0 N-CA-C 107.322 -1.362 . . . . 0.0 107.322 179.712 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 33' ' ' PRO . . . . . 0.469 ' HA ' ' NE ' ' A' ' 36' ' ' ARG . 12.0 Cg_endo -59.32 -26.9 83.48 Favored 'Trans proline' 0 C--N 1.347 0.458 0 C-N-CA 122.146 1.897 . . . . 0.0 109.456 173.136 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -71.75 -40.75 69.12 Favored 'General case' 0 N--CA 1.44 -0.968 0 CA-C-N 114.462 -1.245 . . . . 0.0 112.437 179.845 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 32.5 p -90.75 6.25 44.91 Favored 'General case' 0 C--N 1.325 -0.493 0 N-CA-C 115.068 1.506 . . . . 0.0 115.068 -170.059 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 36' ' ' ARG . . . . . 0.531 ' HB3' ' HB3' ' A' ' 28' ' ' TYR . 99.2 mtt180 -65.13 128.11 34.44 Favored 'General case' 0 C--N 1.323 -0.566 0 N-CA-C 113.992 1.108 . . . . 0.0 113.992 -179.883 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 37' ' ' VAL . . . . . 0.44 ' HB ' ' HB3' ' A' ' 29' ' ' ASP . 53.3 t -104.78 133.76 48.06 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.696 0 C-N-CA 125.264 1.425 . . . . 0.0 107.218 176.724 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 2.7 tm? -67.01 111.73 3.98 Favored 'General case' 0 C--N 1.321 -0.67 0 C-N-CA 123.355 0.662 . . . . 0.0 110.943 -176.579 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 87.5 mt -92.16 -61.33 1.64 Allowed 'General case' 0 C--N 1.321 -0.668 0 N-CA-C 112.034 0.383 . . . . 0.0 112.034 176.697 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 40' ' ' MET . . . . . . . . . . . . . 45.3 ttm -163.53 151.45 13.16 Favored 'General case' 0 N--CA 1.444 -0.746 0 CA-C-N 116.431 -0.35 . . . . 0.0 110.721 -175.708 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 41' ' ' TYR . . . . . . . . . . . . . 85.8 m-85 -95.93 122.93 39.27 Favored 'General case' 0 C--N 1.319 -0.75 0 N-CA-C 107.339 -1.356 . . . . 0.0 107.339 174.313 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 27.6 t -118.27 115.28 47.76 Favored 'Isoleucine or valine' 0 C--N 1.313 -1.017 0 N-CA-C 109.551 -0.537 . . . . 0.0 109.551 179.588 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 43' ' ' ARG . . . . . 0.444 ' O ' ' HB3' ' A' ' 46' ' ' ASN . 19.2 mmt180 -59.23 141.75 53.52 Favored 'General case' 0 C--N 1.315 -0.907 0 CA-C-O 121.479 0.657 . . . . 0.0 111.539 176.316 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 44' ' ' ILE . . . . . 0.557 HG12 ' C ' ' A' ' 23' ' ' ARG . 47.5 mm -67.45 125.23 24.53 Favored 'Isoleucine or valine' 0 C--N 1.3 -1.554 0 CA-C-N 114.603 -1.18 . . . . 0.0 108.18 177.297 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . 104.59 -14.76 50.08 Favored Glycine 0 C--N 1.297 -1.634 0 N-CA-C 109.882 -1.287 . . . . 0.0 109.882 -178.416 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 46' ' ' ASN . . . . . 0.444 ' HB3' ' O ' ' A' ' 43' ' ' ARG . 32.7 t30 -103.47 159.41 15.61 Favored 'General case' 0 C--N 1.301 -1.505 0 CA-C-O 121.813 0.816 . . . . 0.0 110.516 -176.696 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 22.1 p -115.05 151.19 34.67 Favored 'General case' 0 C--N 1.289 -2.036 0 CA-C-N 114.471 -1.24 . . . . 0.0 109.242 179.344 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 48' ' ' ALA . . . . . 0.44 ' O ' ' HA ' ' A' ' 58' ' ' GLU . . . -152.12 146.28 25.39 Favored 'General case' 0 C--N 1.298 -1.674 0 C-N-CA 120.583 -0.447 . . . . 0.0 111.39 -177.905 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 49' ' ' THR . . . . . 0.401 ' HA ' ' HA ' ' A' ' 58' ' ' GLU . 19.5 m -103.6 112.56 25.55 Favored 'General case' 0 C--N 1.313 -1.003 0 N-CA-C 108.024 -1.102 . . . . 0.0 108.024 177.069 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 50' ' ' ILE . . . . . . . . . . . . . 11.4 mm -97.14 110.79 25.72 Favored 'Isoleucine or valine' 0 C--N 1.307 -1.279 0 N-CA-C 108.999 -0.741 . . . . 0.0 108.999 -176.276 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 51' ' ' THR . . . . . 0.5 ' HA ' ' O ' ' A' ' 55' ' ' HIS . 11.5 m -87.2 123.07 31.82 Favored 'General case' 0 C--N 1.299 -1.602 0 C-N-CA 116.765 -1.974 . . . . 0.0 105.828 170.684 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -150.58 127.1 10.8 Favored 'General case' 0 N--CA 1.437 -1.111 0 N-CA-C 108.038 -1.097 . . . . 0.0 108.038 -179.294 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 53' ' ' ARG . . . . . . . . . . . . . 77.3 mtt180 62.72 23.05 13.74 Favored 'General case' 0 N--CA 1.468 0.475 0 C-N-CA 124.989 1.316 . . . . 0.0 111.365 179.08 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . 93.59 -7.71 74.51 Favored Glycine 0 C--N 1.316 -0.565 0 CA-C-N 114.921 -1.036 . . . . 0.0 112.919 -179.984 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 55' ' ' HIS . . . . . 0.5 ' O ' ' HA ' ' A' ' 51' ' ' THR . 78.1 m-70 -101.76 148.61 25.07 Favored 'General case' 0 C--N 1.315 -0.924 0 N-CA-C 109.338 -0.616 . . . . 0.0 109.338 -177.862 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 9.9 mt-10 -109.87 116.87 32.43 Favored 'General case' 0 C--N 1.303 -1.451 0 CA-C-O 121.314 0.578 . . . . 0.0 109.807 174.695 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 57' ' ' PHE . . . . . . . . . . . . . 89.5 m-85 -107.87 108.22 19.29 Favored 'General case' 0 C--N 1.302 -1.461 0 N-CA-C 108.323 -0.991 . . . . 0.0 108.323 -178.568 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 58' ' ' GLU . . . . . 0.44 ' HA ' ' O ' ' A' ' 48' ' ' ALA . 38.1 tt0 -88.45 112.83 23.4 Favored 'General case' 0 N--CA 1.428 -1.568 0 N-CA-C 105.219 -2.141 . . . . 0.0 105.219 176.317 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 59' ' ' VAL . . . . . 0.543 ' HA ' ' HA ' ' A' ' 70' ' ' LEU . 8.8 m -101.72 163.03 3.39 Favored 'Isoleucine or valine' 0 C--N 1.295 -1.785 0 CA-C-N 116.039 -0.528 . . . . 0.0 109.879 -176.27 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 43.8 tt0 -122.81 103.69 8.8 Favored 'General case' 0 N--CA 1.421 -1.905 0 N-CA-C 105.169 -2.16 . . . . 0.0 105.169 176.433 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -77.65 88.96 3.93 Favored 'General case' 0 C--N 1.317 -0.838 0 N-CA-C 108.28 -1.007 . . . . 0.0 108.28 179.072 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 33.9 mtpt -76.6 -52.28 10.01 Favored 'General case' 0 C--N 1.309 -1.156 0 CA-C-N 114.037 -1.438 . . . . 0.0 111.827 -175.485 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 17.9 t70 -142.43 153.29 43.59 Favored 'General case' 0 C--N 1.302 -1.493 0 CA-C-N 114.646 -1.161 . . . . 0.0 108.335 -171.729 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 64' ' ' GLN . . . . . 0.433 ' NE2' ' HA ' ' A' ' 21' ' ' PRO 0.305 9.7 pt20 -89.45 29.4 1.12 Allowed 'General case' 0 C--O 1.241 0.644 0 N-CA-C 115.089 1.514 . . . . 0.0 115.089 -175.269 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 65' ' ' ASN . . . . . . . . . . . . . 25.3 m-80 -81.09 -14.21 57.99 Favored 'General case' 0 C--N 1.316 -0.88 0 N-CA-C 106.299 -1.741 . . . . 0.0 106.299 164.963 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 66' ' ' CYS . . . . . 0.449 ' SG ' ' HD3' ' A' ' 84' ' ' PRO . 85.5 m 66.74 34.58 5.58 Favored 'General case' 0 CA--C 1.503 -0.836 0 CA-C-N 113.045 -1.889 . . . . 0.0 114.746 169.783 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 67' ' ' LYS . . . . . 0.54 ' HA ' ' HE3' ' A' ' 67' ' ' LYS . 0.1 OUTLIER -67.52 130.27 42.52 Favored 'General case' 0 N--CA 1.411 -2.388 0 N-CA-C 106.007 -1.849 . . . . 0.0 106.007 170.716 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 68' ' ' VAL . . . . . . . . . . . . . 4.9 p -82.96 99.76 6.01 Favored 'Isoleucine or valine' 0 C--N 1.298 -1.662 0 CA-C-O 122.757 1.265 . . . . 0.0 110.465 -179.308 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 69' ' ' ILE . . . . . . . . . . . . . 71.1 mt -116.66 122.22 69.41 Favored 'Isoleucine or valine' 0 C--N 1.302 -1.46 0 N-CA-C 104.622 -2.362 . . . . 0.0 104.622 -178.282 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 70' ' ' LEU . . . . . 0.543 ' HA ' ' HA ' ' A' ' 59' ' ' VAL . 1.6 mm? -83.53 166.22 18.44 Favored 'General case' 0 N--CA 1.412 -2.373 0 C-N-CA 119.018 -1.073 . . . . 0.0 109.688 -177.952 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 71' ' ' THR . . . . . . . . . . . . . 41.7 p -63.0 -21.5 66.19 Favored 'General case' 0 C--N 1.293 -1.875 0 CA-C-N 115.117 -0.947 . . . . 0.0 111.809 175.387 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 72' ' ' ASN . . . . . . . . . . . . . 3.1 p-10 -78.15 0.03 26.47 Favored 'General case' 0 C--N 1.323 -0.576 0 CA-C-O 121.185 0.517 . . . . 0.0 111.133 174.365 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 73' ' ' GLY . . . . . . . . . . . . . . . 93.94 -26.49 16.47 Favored Glycine 0 CA--C 1.488 -1.652 0 CA-C-N 116.336 -0.393 . . . . 0.0 112.366 170.439 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 48.5 mtmt -81.79 167.44 19.06 Favored 'General case' 0 N--CA 1.419 -1.987 0 N-CA-C 113.865 1.061 . . . . 0.0 113.865 -176.33 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 75' ' ' GLN . . . . . . . . . . . . . 6.7 tt0 -77.8 150.91 34.21 Favored 'General case' 0 C--N 1.307 -1.275 0 CA-C-N 112.889 -1.96 . . . . 0.0 107.765 175.916 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 76' ' ' ALA . . . . . 0.469 ' HB3' ' HD2' ' A' ' 77' ' ' PRO . . . -96.42 164.79 17.53 Favored Pre-proline 0 C--N 1.293 -1.867 0 CA-C-N 115.689 -0.687 . . . . 0.0 110.412 178.285 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 77' ' ' PRO . . . . . 0.469 ' HD2' ' HB3' ' A' ' 76' ' ' ALA . 7.2 Cg_endo -49.64 156.62 2.89 Favored 'Trans proline' 0 C--N 1.363 1.342 0 C-N-CA 124.05 3.167 . . . . 0.0 115.516 -179.811 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 78' ' ' ASP . . . . . . . . . . . . . 24.9 t70 -51.84 -34.54 41.03 Favored 'General case' 0 N--CA 1.47 0.566 0 C-N-CA 126.166 1.786 . . . . 0.0 112.739 -178.837 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 79' ' ' TRP . . . . . 0.423 ' CD1' ' HB2' ' A' ' 77' ' ' PRO . 68.2 p-90 -81.36 -16.01 53.57 Favored 'General case' 0 C--N 1.317 -0.81 0 N-CA-C 112.619 0.6 . . . . 0.0 112.619 -177.992 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 80' ' ' LEU . . . . . 0.454 HD22 ' CB ' ' A' ' 76' ' ' ALA . 19.7 tp -86.38 119.19 26.39 Favored 'General case' 0 N--CA 1.43 -1.433 0 N-CA-C 107.555 -1.276 . . . . 0.0 107.555 -176.642 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -125.08 167.52 14.66 Favored 'General case' 0 CA--C 1.491 -1.321 0 CA-C-O 121.363 0.601 . . . . 0.0 110.429 -176.688 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 82' ' ' ALA . . . . . 0.499 ' HA ' ' O ' ' A' ' 26' ' ' VAL . . . -153.67 140.37 18.97 Favored 'General case' 0 C--N 1.296 -1.73 0 CA-C-N 114.517 -1.22 . . . . 0.0 108.752 175.613 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 9.9 pt-20 -143.94 143.35 22.62 Favored Pre-proline 0 C--N 1.304 -1.387 0 N-CA-C 105.446 -2.057 . . . . 0.0 105.446 175.572 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 84' ' ' PRO . . . . . 0.524 ' HA ' ' O ' ' A' ' 24' ' ' SER . 45.1 Cg_endo -72.08 140.38 34.38 Favored 'Trans proline' 0 N--CA 1.447 -1.254 0 C-N-CA 121.461 1.441 . . . . 0.0 111.575 -179.168 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 85' ' ' TYR . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.321 -0.66 0 CA-C-N 114.488 -1.233 . . . . 0.0 113.995 -171.199 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 18.1 m . . . . . 0 C--O 1.237 0.433 0 N-CA-C 108.882 -0.785 . . . . 0.0 108.882 . . . . . . . . . 0 0 . 1 . 019 nuclear orig full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . -150.49 -179.54 26.35 Favored Glycine 0 N--CA 1.424 -2.104 0 C-N-CA 120.199 -1.0 . . . . 0.0 112.651 -179.21 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 58.1 mtt180 -142.05 127.59 19.0 Favored 'General case' 0 C--N 1.307 -1.248 0 N-CA-C 106.785 -1.561 . . . . 0.0 106.785 174.918 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 1.1 mp0 -78.15 115.26 17.75 Favored 'General case' 0 C--N 1.303 -1.427 0 N-CA-C 107.255 -1.387 . . . . 0.0 107.255 178.505 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 11' ' ' ASN . . . . . . . . . . . . . 7.1 t30 -81.69 95.13 7.13 Favored 'General case' 0 C--N 1.309 -1.165 0 N-CA-C 104.537 -2.394 . . . . 0.0 104.537 175.801 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 96.2 mt -61.93 164.73 6.16 Favored 'General case' 0 CA--C 1.498 -1.037 0 CA-C-O 122.674 1.226 . . . . 0.0 113.645 -174.926 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 13' ' ' TYR . . . . . . . . . . . . . 19.2 p90 -81.95 113.65 20.0 Favored 'General case' 0 C--N 1.294 -1.845 0 CA-C-N 113.415 -1.72 . . . . 0.0 108.134 178.284 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 14' ' ' PHE . . . . . . . . . . . . . 96.4 m-85 -97.59 109.63 22.34 Favored 'General case' 0 N--CA 1.424 -1.744 0 N-CA-C 106.724 -1.584 . . . . 0.0 106.724 178.561 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 62.1 tt0 -68.57 150.0 48.54 Favored 'General case' 0 N--CA 1.424 -1.731 0 CA-C-N 114.459 -1.246 . . . . 0.0 108.99 -178.025 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . -82.5 88.33 1.46 Allowed Glycine 0 N--CA 1.424 -2.133 0 N-CA-C 107.619 -2.193 . . . . 0.0 107.619 175.213 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 17' ' ' HIS . . . . . . . . . . . . . 55.1 t-80 -88.47 157.69 18.58 Favored 'General case' 0 C--N 1.303 -1.415 0 N-CA-C 106.237 -1.764 . . . . 0.0 106.237 -179.677 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 18' ' ' MET . . . . . . . . . . . . . 26.2 ptm -52.36 133.6 34.66 Favored 'General case' 0 C--O 1.243 0.743 0 O-C-N 123.75 0.656 . . . . 0.0 109.937 177.882 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -63.64 106.99 1.06 Allowed 'General case' 0 C--N 1.32 -0.712 0 O-C-N 123.808 0.692 . . . . 0.0 110.601 -179.595 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -110.34 155.24 42.29 Favored Pre-proline 0 C--N 1.305 -1.343 0 N-CA-C 107.967 -1.123 . . . . 0.0 107.967 179.866 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 21' ' ' PRO . . . . . . . . . . . . . 83.6 Cg_exo -52.86 107.32 0.19 Allowed 'Trans proline' 0 C--N 1.351 0.705 0 C-N-CA 122.969 2.446 . . . . 0.0 110.61 176.241 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -124.93 24.63 7.55 Favored 'General case' 0 C--N 1.32 -0.701 0 N-CA-C 114.871 1.434 . . . . 0.0 114.871 -172.615 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 23' ' ' ARG . . . . . 0.574 ' C ' HG12 ' A' ' 44' ' ' ILE . 35.5 ttm180 58.96 19.41 7.13 Favored 'General case' 0 CA--C 1.561 1.393 0 N-CA-C 114.529 1.307 . . . . 0.0 114.529 174.391 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 24' ' ' SER . . . . . 0.55 ' O ' ' HA ' ' A' ' 84' ' ' PRO . 57.9 m -155.76 141.03 17.57 Favored 'General case' 0 C--N 1.318 -0.789 0 O-C-N 120.771 -1.206 . . . . 0.0 110.061 175.818 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 25' ' ' CYS . . . . . . . . . . . . . 94.4 m -108.06 131.52 54.51 Favored 'General case' 0 CA--C 1.498 -1.022 0 N-CA-C 106.398 -1.704 . . . . 0.0 106.398 177.414 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 26' ' ' VAL . . . . . 0.557 ' O ' ' HA ' ' A' ' 82' ' ' ALA . 2.8 t -110.65 125.02 67.93 Favored 'Isoleucine or valine' 0 C--N 1.289 -2.025 0 N-CA-C 106.994 -1.484 . . . . 0.0 106.994 -175.605 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 27' ' ' TYR . . . . . 0.403 ' HA ' ' O ' ' A' ' 81' ' ' ALA . 43.0 m-85 -97.46 133.55 41.89 Favored 'General case' 0 C--N 1.3 -1.551 0 O-C-N 124.29 0.994 . . . . 0.0 110.582 -174.65 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 28' ' ' TYR . . . . . 0.468 ' HA ' ' O ' ' A' ' 37' ' ' VAL . 90.3 m-85 -127.78 144.24 51.09 Favored 'General case' 0 N--CA 1.427 -1.611 0 CA-C-N 114.641 -1.163 . . . . 0.0 110.014 -176.741 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 5.2 t70 -98.47 101.64 13.14 Favored 'General case' 0 C--N 1.3 -1.547 0 N-CA-C 106.033 -1.84 . . . . 0.0 106.033 172.771 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . -172.53 141.64 6.36 Favored Glycine 0 N--CA 1.435 -1.396 0 C-N-CA 120.882 -0.675 . . . . 0.0 112.792 177.47 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 31' ' ' HIS . . . . . 0.463 ' CE1' ' HB3' ' A' ' 79' ' ' TRP . 94.9 m-70 -85.94 -20.36 29.09 Favored 'General case' 0 C--N 1.302 -1.496 0 N-CA-C 107.945 -1.131 . . . . 0.0 107.945 174.931 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 44.9 mt -123.86 160.42 51.68 Favored Pre-proline 0 N--CA 1.438 -1.066 0 N-CA-C 107.272 -1.381 . . . . 0.0 107.272 -178.0 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 33' ' ' PRO . . . . . . . . . . . . . 56.9 Cg_endo -73.4 -4.35 15.27 Favored 'Trans proline' 0 CA--C 1.538 0.69 0 C-N-CA 121.965 1.777 . . . . 0.0 110.503 172.391 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -91.78 -52.1 4.91 Favored 'General case' 0 N--CA 1.45 -0.464 0 CA-C-O 121.399 0.619 . . . . 0.0 110.299 -179.269 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 19.4 p -90.05 23.32 2.86 Favored 'General case' 0 C--N 1.317 -0.825 0 CA-C-N 115.815 -0.63 . . . . 0.0 111.585 -175.064 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 26.9 ptt180 -79.71 142.88 35.06 Favored 'General case' 0 N--CA 1.438 -1.07 0 CA-C-N 115.618 -0.719 . . . . 0.0 109.196 -179.307 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 37' ' ' VAL . . . . . 0.468 ' O ' ' HA ' ' A' ' 28' ' ' TYR . 75.7 t -122.6 119.8 59.13 Favored 'Isoleucine or valine' 0 C--N 1.305 -1.338 0 N-CA-C 106.377 -1.712 . . . . 0.0 106.377 -178.707 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 8.6 tt -69.19 118.51 12.18 Favored 'General case' 0 C--N 1.321 -0.664 0 CA-C-O 121.705 0.765 . . . . 0.0 109.308 178.934 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 82.0 mt -91.14 -57.88 2.65 Favored 'General case' 0 C--N 1.301 -1.52 0 CA-C-N 114.307 -1.315 . . . . 0.0 110.915 -179.905 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 40' ' ' MET . . . . . . . . . . . . . 44.1 ttm -162.32 156.61 21.65 Favored 'General case' 0 N--CA 1.436 -1.147 0 CA-C-N 115.747 -0.66 . . . . 0.0 111.552 -166.678 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 41' ' ' TYR . . . . . . . . . . . . . 58.6 m-85 -107.02 120.09 41.15 Favored 'General case' 0 C--N 1.321 -0.639 0 N-CA-C 107.434 -1.321 . . . . 0.0 107.434 174.185 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 21.7 t -114.94 113.65 44.23 Favored 'Isoleucine or valine' 0 C--N 1.3 -1.577 0 N-CA-C 107.527 -1.286 . . . . 0.0 107.527 177.04 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 16.9 ttt180 -60.08 141.98 54.85 Favored 'General case' 0 C--N 1.311 -1.103 0 C-N-CA 123.313 0.645 . . . . 0.0 109.365 179.757 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 44' ' ' ILE . . . . . 0.574 HG12 ' C ' ' A' ' 23' ' ' ARG . 40.1 mm -62.33 122.6 13.42 Favored 'Isoleucine or valine' 0 C--N 1.312 -1.036 0 N-CA-C 106.948 -1.501 . . . . 0.0 106.948 175.467 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . 95.04 34.59 6.11 Favored Glycine 0 C--N 1.284 -2.33 0 N-CA-C 109.002 -1.639 . . . . 0.0 109.002 -178.152 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 46' ' ' ASN . . . . . . . . . . . . . 53.2 t30 -149.49 160.78 43.18 Favored 'General case' 0 C--N 1.313 -1.015 0 N-CA-C 108.793 -0.817 . . . . 0.0 108.793 173.61 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 7.7 p -121.07 153.28 37.63 Favored 'General case' 0 C--N 1.288 -2.099 0 CA-C-N 114.775 -1.102 . . . . 0.0 108.623 177.943 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 48' ' ' ALA . . . . . 0.407 ' O ' ' HA ' ' A' ' 58' ' ' GLU . . . -150.69 143.03 24.29 Favored 'General case' 0 C--N 1.297 -1.675 0 C-N-CA 120.129 -0.629 . . . . 0.0 112.391 -178.303 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 3.0 m -89.61 106.63 18.58 Favored 'General case' 0 C--N 1.318 -0.77 0 N-CA-C 107.195 -1.409 . . . . 0.0 107.195 177.803 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 50' ' ' ILE . . . . . . . . . . . . . 15.9 mm -96.49 111.73 27.2 Favored 'Isoleucine or valine' 0 C--N 1.31 -1.149 0 N-CA-C 108.557 -0.905 . . . . 0.0 108.557 -176.679 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 8.4 m -92.02 124.58 36.23 Favored 'General case' 0 C--N 1.293 -1.886 0 N-CA-C 106.701 -1.592 . . . . 0.0 106.701 174.226 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -149.93 124.2 9.53 Favored 'General case' 0 C--N 1.311 -1.096 0 N-CA-C 108.69 -0.856 . . . . 0.0 108.69 179.692 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 53' ' ' ARG . . . . . 0.418 ' HD2' ' CZ2' ' A' ' 79' ' ' TRP . 75.7 mtt180 62.75 27.16 15.97 Favored 'General case' 0 C--O 1.239 0.531 0 C-N-CA 124.414 1.086 . . . . 0.0 111.363 177.718 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . 88.01 5.66 76.7 Favored Glycine 0 N--CA 1.446 -0.65 0 CA-C-N 114.627 -1.17 . . . . 0.0 113.196 178.98 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 55' ' ' HIS . . . . . . . . . . . . . 21.1 m-70 -116.1 133.27 56.2 Favored 'General case' 0 C--N 1.315 -0.905 0 CA-C-N 117.2 0.5 . . . . 0.0 109.762 -179.936 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 25.3 mp0 -94.17 126.13 39.22 Favored 'General case' 0 N--CA 1.435 -1.194 0 N-CA-C 107.98 -1.119 . . . . 0.0 107.98 174.098 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 57' ' ' PHE . . . . . . . . . . . . . 72.3 m-85 -118.3 108.92 15.7 Favored 'General case' 0 N--CA 1.422 -1.868 0 N-CA-C 105.521 -2.029 . . . . 0.0 105.521 177.838 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 58' ' ' GLU . . . . . 0.407 ' HA ' ' O ' ' A' ' 48' ' ' ALA . 23.7 tt0 -87.05 112.64 22.07 Favored 'General case' 0 C--N 1.3 -1.553 0 C-N-CA 117.239 -1.784 . . . . 0.0 107.745 176.874 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 59' ' ' VAL . . . . . 0.546 HG13 ' CD1' ' A' ' 70' ' ' LEU . 6.0 m -98.06 161.72 2.88 Favored 'Isoleucine or valine' 0 C--N 1.311 -1.1 0 CA-C-N 115.196 -0.911 . . . . 0.0 109.974 -173.632 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 60' ' ' GLU . . . . . 0.528 ' HB2' ' HB ' ' A' ' 71' ' ' THR . 33.4 tt0 -119.87 110.02 16.24 Favored 'General case' 0 N--CA 1.427 -1.602 0 N-CA-C 106.79 -1.559 . . . . 0.0 106.79 174.469 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -78.76 88.13 4.63 Favored 'General case' 0 C--N 1.314 -0.959 0 N-CA-C 106.539 -1.652 . . . . 0.0 106.539 174.208 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 19.9 ptmt -75.26 -48.37 23.63 Favored 'General case' 0 C--N 1.312 -1.025 0 CA-C-N 112.982 -1.917 . . . . 0.0 113.969 -175.5 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 4.0 p30 -150.62 168.57 23.91 Favored 'General case' 0 CA--C 1.498 -1.036 0 N-CA-C 108.314 -0.995 . . . . 0.0 108.314 -178.173 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 64' ' ' GLN . . . . . . . . . . . . . 13.2 pt20 -90.12 18.79 5.52 Favored 'General case' 0 C--N 1.311 -1.098 0 N-CA-C 115.325 1.602 . . . . 0.0 115.325 -172.314 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 65' ' ' ASN . . . . . . . . . . . . . 28.1 t-20 -85.16 -26.82 26.59 Favored 'General case' 0 C--N 1.322 -0.618 0 N-CA-C 105.441 -2.059 . . . . 0.0 105.441 167.936 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 66' ' ' CYS . . . . . . . . . . . . . 72.3 m 68.95 54.32 0.46 Allowed 'General case' 0 C--N 1.325 -0.457 0 N-CA-C 119.374 3.102 . . . . 0.0 119.374 169.783 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 5.8 mptp? -76.87 150.87 36.01 Favored 'General case' 0 N--CA 1.437 -1.078 0 C-N-CA 118.817 -1.153 . . . . 0.0 110.392 165.26 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 68' ' ' VAL . . . . . 0.509 HG12 ' O ' ' A' ' 80' ' ' LEU . 6.9 p -88.77 99.88 9.8 Favored 'Isoleucine or valine' 0 C--N 1.293 -1.876 0 CA-C-O 122.834 1.302 . . . . 0.0 109.012 177.728 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 69' ' ' ILE . . . . . . . . . . . . . 89.9 mt -125.99 128.88 72.25 Favored 'Isoleucine or valine' 0 C--N 1.297 -1.697 0 N-CA-C 104.852 -2.277 . . . . 0.0 104.852 -179.015 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 70' ' ' LEU . . . . . 0.546 ' CD1' HG13 ' A' ' 59' ' ' VAL . 1.7 mm? -86.95 146.53 26.12 Favored 'General case' 0 N--CA 1.41 -2.427 0 C-N-CA 118.568 -1.253 . . . . 0.0 110.504 -174.72 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 71' ' ' THR . . . . . 0.528 ' HB ' ' HB2' ' A' ' 60' ' ' GLU . 3.8 t -77.81 4.12 12.59 Favored 'General case' 0 C--N 1.29 -2.018 0 CA-C-N 113.614 -1.63 . . . . 0.0 110.331 -175.498 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 72' ' ' ASN . . . . . . . . . . . . . 44.5 m-80 -96.21 -2.46 46.13 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-N 115.398 -0.819 . . . . 0.0 109.061 175.605 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 73' ' ' GLY . . . . . . . . . . . . . . . 89.1 27.41 23.47 Favored Glycine 0 CA--C 1.504 -0.65 0 N-CA-C 109.632 -1.387 . . . . 0.0 109.632 178.467 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 74' ' ' LYS . . . . . 0.431 ' HB2' ' HB2' ' A' ' 70' ' ' LEU . 69.3 mmtt -114.89 158.25 22.22 Favored 'General case' 0 N--CA 1.434 -1.232 0 CA-C-N 114.47 -0.865 . . . . 0.0 110.877 -176.024 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 75' ' ' GLN . . . . . . . . . . . . . 76.4 mt-30 -107.15 141.14 38.89 Favored 'General case' 0 C--N 1.309 -1.165 0 N-CA-C 106.152 -1.795 . . . . 0.0 106.152 173.088 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 76' ' ' ALA . . . . . 0.45 ' HB3' HD21 ' A' ' 70' ' ' LEU . . . -91.76 161.92 32.55 Favored Pre-proline 0 C--N 1.299 -1.604 0 C-N-CA 120.757 -0.377 . . . . 0.0 111.808 -174.121 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 77' ' ' PRO . . . . . . . . . . . . . 72.5 Cg_exo -56.45 152.75 38.22 Favored 'Trans proline' 0 C--N 1.352 0.755 0 C-N-CA 123.211 2.608 . . . . 0.0 110.812 173.771 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 78' ' ' ASP . . . . . . . . . . . . . 4.1 p-10 -60.2 -28.87 68.33 Favored 'General case' 0 N--CA 1.473 0.723 0 C-N-CA 122.522 0.329 . . . . 0.0 111.86 -176.24 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 79' ' ' TRP . . . . . 0.463 ' HB3' ' CE1' ' A' ' 31' ' ' HIS . 64.2 p-90 -72.69 -15.65 61.69 Favored 'General case' 0 C--O 1.219 -0.532 0 N-CA-C 112.192 0.441 . . . . 0.0 112.192 179.961 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 80' ' ' LEU . . . . . 0.509 ' O ' HG12 ' A' ' 68' ' ' VAL . 24.3 tp -89.84 103.64 16.27 Favored 'General case' 0 N--CA 1.425 -1.712 0 N-CA-C 105.408 -2.071 . . . . 0.0 105.408 179.122 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 81' ' ' ALA . . . . . 0.403 ' O ' ' HA ' ' A' ' 27' ' ' TYR . . . -106.19 162.48 13.61 Favored 'General case' 0 C--N 1.298 -1.653 0 CA-C-O 121.406 0.622 . . . . 0.0 110.765 -176.021 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 82' ' ' ALA . . . . . 0.557 ' HA ' ' O ' ' A' ' 26' ' ' VAL . . . -149.28 135.23 18.91 Favored 'General case' 0 C--N 1.299 -1.619 0 CA-C-N 114.236 -1.347 . . . . 0.0 108.164 177.246 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 9.9 pt-20 -145.97 146.59 29.1 Favored Pre-proline 0 C--N 1.312 -1.04 0 N-CA-C 107.169 -1.419 . . . . 0.0 107.169 175.578 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 84' ' ' PRO . . . . . 0.55 ' HA ' ' O ' ' A' ' 24' ' ' SER . 56.6 Cg_endo -71.47 130.02 16.65 Favored 'Trans proline' 0 N--CA 1.453 -0.875 0 C-N-CA 121.59 1.527 . . . . 0.0 110.287 179.32 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 85' ' ' TYR . . . . . 0.456 ' CD2' ' HB2' ' A' ' 24' ' ' SER 0.255 0.4 OUTLIER . . . . . 0 C--O 1.242 0.69 0 N-CA-C 115.541 1.682 . . . . 0.0 115.541 -171.08 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 9.1 m . . . . . 0 CA--C 1.515 -0.395 0 N-CA-C 108.171 -1.048 . . . . 0.0 108.171 . . . . . . . . . 0 0 . 1 . 020 nuclear orig full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . -146.22 149.59 21.74 Favored Glycine 0 N--CA 1.42 -2.402 0 C-N-CA 119.389 -1.386 . . . . 0.0 111.556 -178.083 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 13.1 ptt180 -144.82 139.43 27.75 Favored 'General case' 0 C--N 1.292 -1.918 0 N-CA-C 104.841 -2.281 . . . . 0.0 104.841 175.778 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 18.6 tt0 -111.33 88.91 2.91 Favored 'General case' 0 C--N 1.286 -2.156 0 N-CA-C 102.637 -3.097 . . . . 0.0 102.637 175.429 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 11' ' ' ASN . . . . . . . . . . . . . 7.8 t30 -94.59 161.26 14.27 Favored 'General case' 0 C--N 1.307 -1.249 0 CA-C-N 112.79 -2.005 . . . . 0.0 110.792 -166.682 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 12' ' ' LEU . . . . . 0.429 HD23 ' H ' ' A' ' 12' ' ' LEU . 2.1 pt? -114.68 133.29 55.98 Favored 'General case' 0 C--N 1.301 -1.51 0 N-CA-C 105.962 -1.866 . . . . 0.0 105.962 176.847 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 13' ' ' TYR . . . . . . . . . . . . . 99.0 m-85 -57.81 116.04 3.21 Favored 'General case' 0 C--N 1.319 -0.753 0 O-C-N 123.736 0.647 . . . . 0.0 110.057 -177.684 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 14' ' ' PHE . . . . . . . . . . . . . 78.9 m-85 -76.76 142.29 40.45 Favored 'General case' 0 N--CA 1.435 -1.199 0 CA-C-N 115.334 -0.848 . . . . 0.0 110.039 -178.939 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 57.0 tt0 -122.1 161.53 22.92 Favored 'General case' 0 N--CA 1.412 -2.371 0 N-CA-C 105.893 -1.892 . . . . 0.0 105.893 -179.785 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . -76.3 -178.64 45.48 Favored Glycine 0 N--CA 1.434 -1.45 0 N-CA-C 110.476 -1.05 . . . . 0.0 110.476 179.678 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 17' ' ' HIS . . . . . . . . . . . . . 22.9 t-80 -59.87 109.81 1.02 Allowed 'General case' 0 C--N 1.314 -0.977 0 N-CA-C 109.668 -0.493 . . . . 0.0 109.668 179.588 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 18' ' ' MET . . . . . . . . . . . . . 58.7 ttp -63.56 126.79 28.67 Favored 'General case' 0 N--CA 1.442 -0.864 0 N-CA-C 108.829 -0.804 . . . . 0.0 108.829 178.832 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -137.19 -178.85 5.39 Favored 'General case' 0 C--N 1.29 -2.013 0 N-CA-C 106.647 -1.612 . . . . 0.0 106.647 -177.448 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -57.65 142.09 78.29 Favored Pre-proline 0 C--N 1.316 -0.857 0 O-C-N 124.334 1.021 . . . . 0.0 109.61 176.772 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 21' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -73.67 89.09 1.0 Allowed 'Trans proline' 0 N--CA 1.45 -1.07 0 C-N-CA 121.805 1.67 . . . . 0.0 110.773 -178.391 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -91.2 28.53 1.61 Allowed 'General case' 0 C--N 1.305 -1.358 0 N-CA-C 115.238 1.57 . . . . 0.0 115.238 -171.952 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 23' ' ' ARG . . . . . 0.553 ' C ' HG12 ' A' ' 44' ' ' ILE . 53.2 mtt180 60.63 25.16 14.9 Favored 'General case' 0 C--N 1.306 -1.304 0 N-CA-C 115.077 1.51 . . . . 0.0 115.077 175.627 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 24' ' ' SER . . . . . 0.621 ' O ' ' HA ' ' A' ' 84' ' ' PRO . 66.4 m -156.2 138.76 14.99 Favored 'General case' 0 C--N 1.315 -0.902 0 C-N-CA 123.357 0.663 . . . . 0.0 109.314 174.698 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 25' ' ' CYS . . . . . . . . . . . . . 90.2 m -107.92 131.27 54.71 Favored 'General case' 0 N--CA 1.436 -1.132 0 N-CA-C 105.812 -1.921 . . . . 0.0 105.812 178.463 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 26' ' ' VAL . . . . . 0.568 ' O ' ' HA ' ' A' ' 82' ' ' ALA . 2.9 t -112.57 124.39 69.19 Favored 'Isoleucine or valine' 0 C--N 1.281 -2.397 0 N-CA-C 107.073 -1.454 . . . . 0.0 107.073 -173.587 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 27' ' ' TYR . . . . . . . . . . . . . 15.8 m-85 -94.84 129.71 41.72 Favored 'General case' 0 C--N 1.298 -1.667 0 O-C-N 124.201 0.938 . . . . 0.0 111.134 -173.444 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 28' ' ' TYR . . . . . 0.527 ' HA ' ' O ' ' A' ' 37' ' ' VAL . 84.7 m-85 -128.89 147.41 50.82 Favored 'General case' 0 N--CA 1.419 -2.01 0 CA-C-N 114.151 -1.386 . . . . 0.0 110.651 -178.147 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 29' ' ' ASP . . . . . 0.435 ' HB3' ' HB ' ' A' ' 37' ' ' VAL . 4.6 t0 -98.49 102.41 14.14 Favored 'General case' 0 C--N 1.301 -1.514 0 N-CA-C 106.563 -1.644 . . . . 0.0 106.563 175.295 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . -173.24 152.86 16.7 Favored Glycine 0 C--N 1.311 -0.844 0 C-N-CA 120.061 -1.066 . . . . 0.0 113.643 177.817 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 31' ' ' HIS . . . . . . . . . . . . . 84.8 m-70 -98.78 -16.09 19.05 Favored 'General case' 0 C--N 1.313 -0.987 0 CA-C-O 121.034 0.445 . . . . 0.0 109.812 172.927 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 32' ' ' LEU . . . . . 0.43 ' HB2' ' OG1' ' A' ' 35' ' ' THR . 43.4 mt -128.83 161.37 58.07 Favored Pre-proline 0 C--N 1.319 -0.746 0 N-CA-C 107.101 -1.444 . . . . 0.0 107.101 -178.599 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 33' ' ' PRO . . . . . . . . . . . . . 50.0 Cg_endo -68.1 -4.26 12.26 Favored 'Trans proline' 0 CA--C 1.532 0.425 0 C-N-CA 122.432 2.088 . . . . 0.0 111.32 174.378 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -91.35 -34.54 14.85 Favored 'General case' 0 CA--C 1.507 -0.697 0 CA-C-O 122.597 1.189 . . . . 0.0 109.406 -178.79 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 35' ' ' THR . . . . . 0.43 ' OG1' ' HB2' ' A' ' 32' ' ' LEU . 0.2 OUTLIER -89.94 -27.21 19.98 Favored 'General case' 0 N--CA 1.42 -1.959 0 CA-C-N 113.783 -1.553 . . . . 0.0 112.242 -169.881 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 36' ' ' ARG . . . . . 0.461 ' HD2' ' O ' ' A' ' 36' ' ' ARG 0.282 0.0 OUTLIER -42.8 104.77 0.04 OUTLIER 'General case' 0 CA--C 1.538 0.503 0 O-C-N 125.086 1.491 . . . . 0.0 114.177 -173.543 . . . . . . . . 4 4 . 1 . 020 nuclear orig full ' A' A ' 37' ' ' VAL . . . . . 0.527 ' O ' ' HA ' ' A' ' 28' ' ' TYR . 61.8 t -94.13 128.68 45.27 Favored 'Isoleucine or valine' 0 CA--C 1.505 -0.773 0 CA-C-N 113.961 -1.472 . . . . 0.0 108.56 -175.925 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 3.3 tm? -64.59 112.59 3.24 Favored 'General case' 0 C--N 1.317 -0.831 0 O-C-N 123.921 0.763 . . . . 0.0 109.787 -179.288 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 94.6 mt -91.08 -60.89 1.79 Allowed 'General case' 0 N--CA 1.437 -1.109 0 N-CA-C 107.97 -1.122 . . . . 0.0 107.97 173.88 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 40' ' ' MET . . . . . . . . . . . . . 22.2 ptp -169.94 164.84 9.65 Favored 'General case' 0 CA--C 1.515 -0.376 0 CA-C-N 115.727 -0.669 . . . . 0.0 112.764 -178.864 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 41' ' ' TYR . . . . . . . . . . . . . 11.7 m-85 -100.22 138.39 37.35 Favored 'General case' 0 C--N 1.31 -1.139 0 CA-C-N 114.083 -1.417 . . . . 0.0 108.708 175.562 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 39.4 t -127.93 136.87 59.14 Favored 'Isoleucine or valine' 0 C--N 1.307 -1.267 0 N-CA-C 105.81 -1.922 . . . . 0.0 105.81 174.919 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 42.4 ttt-85 -81.83 148.59 28.76 Favored 'General case' 0 C--N 1.297 -1.689 0 N-CA-C 108.684 -0.858 . . . . 0.0 108.684 -179.826 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 44' ' ' ILE . . . . . 0.553 HG12 ' C ' ' A' ' 23' ' ' ARG . 45.0 mm -64.01 126.79 23.38 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.67 0 N-CA-C 107.056 -1.461 . . . . 0.0 107.056 174.452 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . 90.27 25.18 26.98 Favored Glycine 0 C--N 1.289 -2.072 0 CA-C-N 114.585 -1.189 . . . . 0.0 110.389 177.421 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 46' ' ' ASN . . . . . . . . . . . . . 51.6 t30 -143.18 158.72 43.37 Favored 'General case' 0 N--CA 1.431 -1.384 0 N-CA-C 109.38 -0.6 . . . . 0.0 109.38 179.57 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 14.7 p -108.87 159.1 17.07 Favored 'General case' 0 C--N 1.289 -2.04 0 CA-C-N 114.765 -1.107 . . . . 0.0 111.1 -179.299 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -158.36 149.57 20.87 Favored 'General case' 0 C--N 1.306 -1.31 0 CA-C-N 115.198 -0.91 . . . . 0.0 110.054 176.652 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 20.0 m -99.78 115.66 30.06 Favored 'General case' 0 C--N 1.306 -1.301 0 N-CA-C 106.588 -1.634 . . . . 0.0 106.588 175.793 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 50' ' ' ILE . . . . . 0.472 ' O ' ' HA ' ' A' ' 56' ' ' GLU . 20.1 mm -95.09 109.87 23.06 Favored 'Isoleucine or valine' 0 C--N 1.308 -1.197 0 N-CA-C 108.261 -1.014 . . . . 0.0 108.261 -174.69 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 51' ' ' THR . . . . . 0.493 ' HG1' ' CG ' ' A' ' 56' ' ' GLU . 6.8 m -91.07 124.19 35.11 Favored 'General case' 0 C--N 1.295 -1.799 0 N-CA-C 107.213 -1.402 . . . . 0.0 107.213 174.009 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -151.15 124.11 8.67 Favored 'General case' 0 C--N 1.308 -1.213 0 N-CA-C 108.495 -0.928 . . . . 0.0 108.495 177.35 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 53' ' ' ARG . . . . . . . . . . . . . 78.6 mtt180 62.87 23.33 13.93 Favored 'General case' 0 N--CA 1.476 0.862 0 C-N-CA 124.5 1.12 . . . . 0.0 111.641 177.233 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . 92.56 -3.29 74.87 Favored Glycine 0 C--N 1.31 -0.909 0 CA-C-N 115.413 -0.812 . . . . 0.0 112.784 -178.971 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 55' ' ' HIS . . . . . 0.434 ' O ' ' HA ' ' A' ' 51' ' ' THR . 7.9 m-70 -99.45 139.7 34.72 Favored 'General case' 0 C--N 1.32 -0.713 0 N-CA-C 107.571 -1.27 . . . . 0.0 107.571 -178.877 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 56' ' ' GLU . . . . . 0.493 ' CG ' ' HG1' ' A' ' 51' ' ' THR . 16.2 mt-10 -114.33 126.66 55.26 Favored 'General case' 0 C--N 1.303 -1.435 0 N-CA-C 109.732 -0.47 . . . . 0.0 109.732 173.499 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 57' ' ' PHE . . . . . . . . . . . . . 50.7 m-85 -115.23 115.27 26.41 Favored 'General case' 0 C--N 1.306 -1.302 0 N-CA-C 108.264 -1.013 . . . . 0.0 108.264 -178.896 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 40.9 tt0 -87.59 110.7 20.57 Favored 'General case' 0 C--N 1.306 -1.297 0 N-CA-C 106.53 -1.656 . . . . 0.0 106.53 179.59 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 59' ' ' VAL . . . . . 0.461 HG12 ' CD1' ' A' ' 70' ' ' LEU . 6.2 m -117.77 160.66 17.21 Favored 'Isoleucine or valine' 0 C--N 1.302 -1.48 0 CA-C-N 115.581 -0.736 . . . . 0.0 110.898 -172.909 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 44.6 tt0 -126.82 108.81 11.36 Favored 'General case' 0 N--CA 1.43 -1.426 0 N-CA-C 106.428 -1.693 . . . . 0.0 106.428 175.048 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -79.65 87.65 5.18 Favored 'General case' 0 C--N 1.31 -1.126 0 N-CA-C 105.255 -2.128 . . . . 0.0 105.255 174.666 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 62.2 pttt -88.17 -25.16 23.09 Favored 'General case' 0 C--N 1.309 -1.188 0 N-CA-C 113.811 1.041 . . . . 0.0 113.811 -174.208 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 17.3 t70 -136.23 153.73 51.13 Favored 'General case' 0 C--N 1.307 -1.249 0 C-N-CA 119.678 -0.809 . . . . 0.0 109.117 -171.91 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 64' ' ' GLN . . . . . . . . . . . . . 79.3 mt-30 -69.31 -6.92 32.61 Favored 'General case' 0 C--O 1.237 0.404 0 O-C-N 123.896 0.747 . . . . 0.0 112.019 -176.887 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 65' ' ' ASN . . . . . . . . . . . . . 32.6 t-20 -59.16 -40.35 85.31 Favored 'General case' 0 CA--C 1.511 -0.52 0 N-CA-C 106.971 -1.492 . . . . 0.0 106.971 174.661 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 66' ' ' CYS . . . . . . . . . . . . . 81.9 m 60.91 45.38 9.65 Favored 'General case' 0 N--CA 1.443 -0.795 0 CA-C-N 114.514 -1.221 . . . . 0.0 111.064 -177.464 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 37.3 ttmt -81.24 157.19 25.26 Favored 'General case' 0 N--CA 1.405 -2.713 0 N-CA-C 104.765 -2.309 . . . . 0.0 104.765 172.348 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 68' ' ' VAL . . . . . . . . . . . . . 9.9 p -83.07 99.1 5.52 Favored 'Isoleucine or valine' 0 C--N 1.285 -2.196 0 CA-C-O 122.58 1.181 . . . . 0.0 109.672 -176.623 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 69' ' ' ILE . . . . . . . . . . . . . 90.5 mt -121.75 119.81 59.84 Favored 'Isoleucine or valine' 0 C--N 1.315 -0.922 0 CA-C-N 114.74 -1.118 . . . . 0.0 108.902 -177.994 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 70' ' ' LEU . . . . . 0.481 ' HB2' ' O ' ' A' ' 74' ' ' LYS . 6.3 mp -94.89 136.84 34.72 Favored 'General case' 0 C--N 1.298 -1.662 0 CA-C-N 114.487 -1.233 . . . . 0.0 108.221 -179.027 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 71' ' ' THR . . . . . . . . . . . . . 10.8 t -83.28 1.84 38.95 Favored 'General case' 0 C--N 1.293 -1.868 0 CA-C-O 122.429 1.109 . . . . 0.0 110.924 -169.522 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 72' ' ' ASN . . . . . . . . . . . . . 93.2 m-20 -95.74 -6.87 38.77 Favored 'General case' 0 C--N 1.312 -1.044 0 CA-C-N 115.302 -0.863 . . . . 0.0 109.902 178.641 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 73' ' ' GLY . . . . . . . . . . . . . . . 92.64 16.63 48.21 Favored Glycine 0 CA--C 1.502 -0.771 0 N-CA-C 109.576 -1.409 . . . . 0.0 109.576 -179.714 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 74' ' ' LYS . . . . . 0.481 ' O ' ' HB2' ' A' ' 70' ' ' LEU . 72.0 mmtt -96.46 146.89 24.38 Favored 'General case' 0 N--CA 1.429 -1.492 0 CA-C-N 113.339 -1.43 . . . . 0.0 110.982 -175.373 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 75' ' ' GLN . . . . . . . . . . . . . 97.1 mt-30 -87.25 153.65 21.32 Favored 'General case' 0 C--N 1.304 -1.383 0 N-CA-C 104.864 -2.273 . . . . 0.0 104.864 170.188 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 76' ' ' ALA . . . . . 0.409 ' HB1' ' CD1' ' A' ' 70' ' ' LEU . . . -108.77 155.02 41.4 Favored Pre-proline 0 C--N 1.279 -2.473 0 N-CA-C 109.004 -0.739 . . . . 0.0 109.004 177.315 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 77' ' ' PRO . . . . . . . . . . . . . 79.3 Cg_exo -51.13 159.91 2.41 Favored 'Trans proline' 0 C--N 1.35 0.614 0 C-N-CA 123.575 2.85 . . . . 0.0 113.433 176.71 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 78' ' ' ASP . . . . . . . . . . . . . 6.7 m-20 -70.12 -1.44 10.05 Favored 'General case' 0 C--N 1.316 -0.871 0 C-N-CA 124.85 1.26 . . . . 0.0 112.012 -174.52 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 79' ' ' TRP . . . . . . . . . . . . . 57.6 p-90 -111.52 -3.94 14.98 Favored 'General case' 0 N--CA 1.444 -0.735 0 C-N-CA 122.92 0.488 . . . . 0.0 111.98 -179.92 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 32.0 tp -89.8 105.94 18.14 Favored 'General case' 0 C--N 1.311 -1.079 0 C-N-CA 119.141 -1.024 . . . . 0.0 110.048 -179.502 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -108.54 162.94 13.67 Favored 'General case' 0 C--N 1.315 -0.918 0 CA-C-O 121.771 0.796 . . . . 0.0 111.396 -177.685 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 82' ' ' ALA . . . . . 0.568 ' HA ' ' O ' ' A' ' 26' ' ' VAL . . . -147.78 141.9 26.06 Favored 'General case' 0 C--N 1.305 -1.367 0 CA-C-N 114.08 -1.418 . . . . 0.0 107.778 175.025 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 10.3 pt-20 -146.21 142.63 17.83 Favored Pre-proline 0 C--N 1.312 -1.046 0 N-CA-C 107.296 -1.372 . . . . 0.0 107.296 177.711 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 84' ' ' PRO . . . . . 0.621 ' HA ' ' O ' ' A' ' 24' ' ' SER . 72.3 Cg_endo -67.75 130.58 22.24 Favored 'Trans proline' 0 N--CA 1.453 -0.9 0 CA-C-N 121.085 1.423 . . . . 0.0 110.447 173.633 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 85' ' ' TYR . . . . . . . . . . . . . 0.3 OUTLIER . . . . . 0 C--N 1.318 -0.773 0 CA-C-N 113.995 -1.457 . . . . 0.0 114.67 -172.3 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 31.1 m . . . . . 0 N--CA 1.453 -0.296 0 CA-C-O 120.577 0.227 . . . . 0.0 111.204 . . . . . . . . . 0 0 . 1 . 001 nuclear build full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . -105.82 88.14 0.55 Allowed Glycine 0 N--CA 1.431 -1.668 0 C-N-CA 119.051 -1.547 . . . . 0.0 113.83 -176.827 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 92.0 mtt180 -150.47 97.23 2.49 Favored 'General case' 0 C--N 1.308 -1.215 0 N-CA-C 106.386 -1.709 . . . . 0.0 106.386 172.51 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 31.1 mt-10 -75.85 96.57 3.72 Favored 'General case' 0 C--N 1.303 -1.439 0 CA-C-O 121.875 0.845 . . . . 0.0 109.272 177.821 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 11' ' ' ASN . . . . . . . . . . . . . 3.9 t-20 -134.39 151.03 50.96 Favored 'General case' 0 C--N 1.307 -1.268 0 N-CA-C 104.723 -2.325 . . . . 0.0 104.723 -177.752 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 4.5 pp -80.67 158.15 25.7 Favored 'General case' 0 C--N 1.312 -1.053 0 CA-C-O 122.056 0.931 . . . . 0.0 111.284 -178.662 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 13' ' ' TYR . . . . . . . . . . . . . 82.1 m-85 -105.09 141.52 36.5 Favored 'General case' 0 C--N 1.294 -1.807 0 CA-C-N 114.227 -1.351 . . . . 0.0 107.436 175.456 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 14' ' ' PHE . . . . . . . . . . . . . 51.1 p90 -62.74 146.25 52.84 Favored 'General case' 0 C--N 1.309 -1.185 0 O-C-N 123.987 0.804 . . . . 0.0 111.992 -176.699 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 24.7 pt20 -69.33 116.57 9.91 Favored 'General case' 0 N--CA 1.433 -1.322 0 N-CA-C 105.415 -2.069 . . . . 0.0 105.415 170.93 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . -121.0 175.45 16.08 Favored Glycine 0 N--CA 1.429 -1.82 0 N-CA-C 110.484 -1.046 . . . . 0.0 110.484 -175.59 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 17' ' ' HIS . . . . . . . . . . . . . 70.9 m-70 -68.85 115.47 8.22 Favored 'General case' 0 C--N 1.312 -1.038 0 CA-C-O 121.624 0.726 . . . . 0.0 109.393 179.979 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 18' ' ' MET . . . . . . . . . . . . . 26.8 ptt? -123.55 -179.76 4.47 Favored 'General case' 0 C--N 1.299 -1.621 0 N-CA-C 107.039 -1.467 . . . . 0.0 107.039 -178.961 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -77.94 116.18 18.24 Favored 'General case' 0 N--CA 1.437 -1.098 0 N-CA-C 107.214 -1.402 . . . . 0.0 107.214 178.166 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -96.64 136.94 21.5 Favored Pre-proline 0 C--N 1.307 -1.261 0 N-CA-C 109.481 -0.563 . . . . 0.0 109.481 -177.545 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 21' ' ' PRO . . . . . . . . . . . . . 25.7 Cg_endo -63.92 89.8 0.16 Allowed 'Trans proline' 0 C--N 1.349 0.556 0 C-N-CA 122.665 2.244 . . . . 0.0 111.875 179.286 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -102.58 14.27 32.37 Favored 'General case' 0 C--N 1.312 -1.059 0 CA-C-N 114.821 -1.081 . . . . 0.0 112.595 -175.522 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 23' ' ' ARG . . . . . 0.581 ' C ' HG12 ' A' ' 44' ' ' ILE . 94.6 mtt180 59.95 35.94 21.66 Favored 'General case' 0 C--N 1.3 -1.568 0 N-CA-C 115.559 1.689 . . . . 0.0 115.559 178.024 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 24' ' ' SER . . . . . 0.701 ' O ' ' HA ' ' A' ' 84' ' ' PRO . 39.5 m -152.13 141.85 21.89 Favored 'General case' 0 C--N 1.304 -1.392 0 N-CA-C 106.308 -1.738 . . . . 0.0 106.308 172.003 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 25' ' ' CYS . . . . . . . . . . . . . 93.6 m -107.49 130.54 54.83 Favored 'General case' 0 CA--C 1.491 -1.31 0 N-CA-C 106.074 -1.824 . . . . 0.0 106.074 177.399 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 26' ' ' VAL . . . . . 0.493 ' O ' ' HA ' ' A' ' 82' ' ' ALA . 2.9 t -113.13 117.91 56.63 Favored 'Isoleucine or valine' 0 C--N 1.288 -2.076 0 N-CA-C 106.501 -1.666 . . . . 0.0 106.501 -174.93 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 27' ' ' TYR . . . . . . . . . . . . . 70.5 m-85 -90.24 130.36 36.38 Favored 'General case' 0 C--N 1.295 -1.793 0 CA-C-N 114.567 -1.197 . . . . 0.0 109.882 -174.202 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 28' ' ' TYR . . . . . 0.504 ' HA ' ' O ' ' A' ' 37' ' ' VAL . 95.4 m-85 -132.73 145.84 51.36 Favored 'General case' 0 N--CA 1.413 -2.303 0 CA-C-N 114.197 -1.365 . . . . 0.0 110.235 -178.008 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 29' ' ' ASP . . . . . 0.482 ' HB3' ' HB ' ' A' ' 37' ' ' VAL . 3.2 t70 -89.64 102.39 15.08 Favored 'General case' 0 C--N 1.3 -1.556 0 N-CA-C 105.718 -1.956 . . . . 0.0 105.718 168.828 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . -164.21 127.58 1.68 Allowed Glycine 0 N--CA 1.414 -2.779 0 C-N-CA 119.901 -1.143 . . . . 0.0 111.875 -177.865 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 31' ' ' HIS . . . . . . . . . . . . . 28.2 t-80 -73.78 -33.48 64.25 Favored 'General case' 0 C--N 1.285 -2.206 0 CA-C-N 112.452 -1.874 . . . . 0.0 107.281 177.281 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 32.4 mt -125.54 162.63 43.52 Favored Pre-proline 0 N--CA 1.437 -1.112 0 N-CA-C 104.753 -2.314 . . . . 0.0 104.753 179.764 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 33' ' ' PRO . . . . . . . . . . . . . 70.0 Cg_endo -73.53 4.07 4.28 Favored 'Trans proline' 0 CA--C 1.535 0.549 0 C-N-CA 122.243 1.962 . . . . 0.0 110.631 174.562 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -97.14 -44.29 7.02 Favored 'General case' 0 C--N 1.32 -0.715 0 CA-C-N 115.768 -0.651 . . . . 0.0 111.368 177.829 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 5.9 p -90.42 15.69 10.2 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-O 121.695 0.759 . . . . 0.0 112.578 -174.521 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 36' ' ' ARG . . . . . 0.484 ' HB2' ' HB3' ' A' ' 28' ' ' TYR . 33.5 ptt180 -67.4 128.66 37.25 Favored 'General case' 0 C--N 1.312 -1.028 0 CA-C-N 114.549 -1.205 . . . . 0.0 112.903 -176.146 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 37' ' ' VAL . . . . . 0.504 ' O ' ' HA ' ' A' ' 28' ' ' TYR . 96.7 t -106.52 128.79 60.83 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.755 0 N-CA-C 107.971 -1.122 . . . . 0.0 107.971 177.736 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 3.4 tm? -67.57 110.75 3.81 Favored 'General case' 0 C--N 1.315 -0.926 0 C-N-CA 123.418 0.687 . . . . 0.0 110.709 -176.715 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 84.0 mt -91.63 -60.65 1.82 Allowed 'General case' 0 C--N 1.319 -0.761 0 CA-C-N 115.727 -0.67 . . . . 0.0 110.19 176.594 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 40' ' ' MET . . . . . . . . . . . . . 21.8 ptp -172.01 164.09 6.17 Favored 'General case' 0 N--CA 1.476 0.857 0 N-CA-C 112.601 0.593 . . . . 0.0 112.601 179.901 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 41' ' ' TYR . . . . . . . . . . . . . 52.0 m-85 -106.37 124.47 49.64 Favored 'General case' 0 C--N 1.317 -0.814 0 CA-C-N 114.22 -1.355 . . . . 0.0 108.184 177.431 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 42.9 t -117.53 136.78 53.6 Favored 'Isoleucine or valine' 0 C--N 1.308 -1.196 0 N-CA-C 108.016 -1.105 . . . . 0.0 108.016 178.052 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 15.7 ttt180 -70.71 140.2 51.36 Favored 'General case' 0 C--N 1.303 -1.446 0 N-CA-C 108.394 -0.965 . . . . 0.0 108.394 177.819 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 44' ' ' ILE . . . . . 0.581 HG12 ' C ' ' A' ' 23' ' ' ARG . 41.4 mm -61.69 126.26 19.45 Favored 'Isoleucine or valine' 0 C--N 1.316 -0.862 0 N-CA-C 107.578 -1.267 . . . . 0.0 107.578 174.541 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . 96.38 24.59 13.88 Favored Glycine 0 C--N 1.29 -1.992 0 CA-C-N 114.557 -1.201 . . . . 0.0 110.573 178.618 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 46' ' ' ASN . . . . . . . . . . . . . 49.3 t30 -139.87 157.65 45.37 Favored 'General case' 0 C--N 1.311 -1.096 0 CA-C-O 121.112 0.482 . . . . 0.0 110.577 178.0 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 47' ' ' THR . . . . . 0.434 ' HA ' ' HA ' ' A' ' 60' ' ' GLU . 20.5 p -101.44 153.23 19.87 Favored 'General case' 0 C--N 1.298 -1.664 0 CA-C-N 114.861 -1.063 . . . . 0.0 110.551 179.526 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -154.65 128.51 8.76 Favored 'General case' 0 C--N 1.304 -1.386 0 N-CA-C 113.721 1.008 . . . . 0.0 113.721 177.494 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 7.6 m -72.72 109.15 6.13 Favored 'General case' 0 C--N 1.313 -0.99 0 CA-C-N 114.901 -1.045 . . . . 0.0 108.275 171.373 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 50' ' ' ILE . . . . . 0.45 ' O ' ' HA ' ' A' ' 56' ' ' GLU . 27.3 mm -96.44 114.31 32.95 Favored 'Isoleucine or valine' 0 C--N 1.307 -1.25 0 N-CA-C 107.51 -1.293 . . . . 0.0 107.51 179.765 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 12.1 m -99.56 124.33 44.64 Favored 'General case' 0 C--N 1.292 -1.897 0 C-N-CA 117.761 -1.576 . . . . 0.0 107.546 175.206 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -143.7 121.77 12.13 Favored 'General case' 0 C--N 1.304 -1.398 0 N-CA-C 107.612 -1.255 . . . . 0.0 107.612 178.057 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 53' ' ' ARG . . . . . . . . . . . . . 80.0 mtt85 66.29 20.51 11.04 Favored 'General case' 0 C--N 1.321 -0.644 0 C-N-CA 124.258 1.023 . . . . 0.0 112.496 179.989 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . 83.85 19.04 62.17 Favored Glycine 0 N--CA 1.443 -0.873 0 CA-C-N 114.685 -1.143 . . . . 0.0 111.29 -179.066 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 55' ' ' HIS . . . . . . . . . . . . . 76.1 m-70 -118.51 127.25 53.46 Favored 'General case' 0 C--N 1.316 -0.882 0 N-CA-C 107.151 -1.425 . . . . 0.0 107.151 176.244 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 56' ' ' GLU . . . . . 0.45 ' HA ' ' O ' ' A' ' 50' ' ' ILE . 1.7 mp0 -98.78 128.91 45.15 Favored 'General case' 0 N--CA 1.432 -1.367 0 N-CA-C 109.474 -0.565 . . . . 0.0 109.474 178.968 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 57' ' ' PHE . . . . . . . . . . . . . 68.9 m-85 -115.54 112.06 21.64 Favored 'General case' 0 N--CA 1.421 -1.885 0 N-CA-C 105.773 -1.936 . . . . 0.0 105.773 177.951 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 5.3 tp10 -80.91 109.92 15.95 Favored 'General case' 0 C--N 1.307 -1.28 0 N-CA-C 105.977 -1.86 . . . . 0.0 105.977 178.857 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 59' ' ' VAL . . . . . 0.57 HG12 ' CD1' ' A' ' 70' ' ' LEU . 10.1 m -106.08 167.61 3.15 Favored 'Isoleucine or valine' 0 C--N 1.302 -1.476 0 CA-C-O 121.25 0.548 . . . . 0.0 110.075 -176.804 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 60' ' ' GLU . . . . . 0.434 ' HA ' ' HA ' ' A' ' 47' ' ' THR . 43.5 tt0 -135.31 122.75 21.91 Favored 'General case' 0 C--N 1.297 -1.68 0 N-CA-C 105.487 -2.042 . . . . 0.0 105.487 167.882 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -76.76 89.73 3.42 Favored 'General case' 0 C--N 1.308 -1.236 0 N-CA-C 106.912 -1.514 . . . . 0.0 106.912 176.64 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 75.5 mmtt -65.02 -58.5 5.92 Favored 'General case' 0 C--N 1.322 -0.619 0 CA-C-N 114.197 -1.365 . . . . 0.0 112.493 -174.07 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 27.1 t70 -141.78 159.72 41.65 Favored 'General case' 0 C--N 1.303 -1.441 0 CA-C-N 115.375 -0.83 . . . . 0.0 109.872 -172.932 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 64' ' ' GLN . . . . . . . . . . . . 0.27 0.6 OUTLIER -71.01 2.89 3.84 Favored 'General case' 0 C--N 1.326 -0.446 0 N-CA-C 115.581 1.697 . . . . 0.0 115.581 -177.344 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 65' ' ' ASN . . . . . . . . . . . . . 44.2 t-20 -73.31 -33.76 65.33 Favored 'General case' 0 C--N 1.324 -0.524 0 N-CA-C 105.541 -2.022 . . . . 0.0 105.541 168.545 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 66' ' ' CYS . . . . . . . . . . . . 0.299 91.9 m 70.01 55.16 0.33 Allowed 'General case' 0 N--CA 1.445 -0.68 0 N-CA-C 117.199 2.296 . . . . 0.0 117.199 175.642 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 4.9 mptp? -75.29 154.88 37.18 Favored 'General case' 0 N--CA 1.432 -1.326 0 N-CA-C 108.473 -0.936 . . . . 0.0 108.473 165.677 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 68' ' ' VAL . . . . . . . . . . . . . 4.5 p -91.77 98.84 8.84 Favored 'Isoleucine or valine' 0 C--N 1.283 -2.299 0 N-CA-C 107.501 -1.296 . . . . 0.0 107.501 176.248 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 69' ' ' ILE . . . . . . . . . . . . . 80.9 mt -117.07 123.48 71.88 Favored 'Isoleucine or valine' 0 C--N 1.302 -1.472 0 N-CA-C 106.539 -1.652 . . . . 0.0 106.539 -177.42 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 70' ' ' LEU . . . . . 0.703 HD21 ' HB2' ' A' ' 76' ' ' ALA . 2.4 mm? -85.56 137.33 32.94 Favored 'General case' 0 N--CA 1.403 -2.778 0 CA-C-N 114.906 -1.043 . . . . 0.0 109.737 -174.626 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 71' ' ' THR . . . . . . . . . . . . . 5.0 t -84.03 -5.6 59.26 Favored 'General case' 0 C--N 1.272 -2.79 0 CA-C-N 112.991 -1.913 . . . . 0.0 109.359 -175.277 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 72' ' ' ASN . . . . . . . . . . . . . 31.6 p30 -88.13 -15.38 36.28 Favored 'General case' 0 N--CA 1.447 -0.597 0 CA-C-N 115.439 -0.801 . . . . 0.0 109.942 177.709 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 73' ' ' GLY . . . . . . . . . . . . . . . 114.09 3.09 23.25 Favored Glycine 0 CA--C 1.502 -0.758 0 CA-C-N 115.319 -0.855 . . . . 0.0 111.457 172.151 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 30.5 mmtp -89.62 167.62 12.79 Favored 'General case' 0 C--N 1.305 -1.344 0 N-CA-C 113.133 0.79 . . . . 0.0 113.133 -178.419 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 75' ' ' GLN . . . . . . . . . . . . . 61.4 tt0 -106.34 135.45 47.8 Favored 'General case' 0 C--N 1.309 -1.176 0 N-CA-C 105.311 -2.107 . . . . 0.0 105.311 168.605 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 76' ' ' ALA . . . . . 0.703 ' HB2' HD21 ' A' ' 70' ' ' LEU . . . -88.54 156.17 50.7 Favored Pre-proline 0 C--N 1.306 -1.299 0 N-CA-C 110.254 -0.276 . . . . 0.0 110.254 -177.312 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 77' ' ' PRO . . . . . . . . . . . . . 83.1 Cg_exo -54.96 159.79 8.9 Favored 'Trans proline' 0 C--O 1.241 0.651 0 C-N-CA 123.373 2.716 . . . . 0.0 112.375 174.285 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 78' ' ' ASP . . . . . . . . . . . . . 30.1 t70 -64.74 -28.66 69.74 Favored 'General case' 0 C--N 1.314 -0.962 0 C-N-CA 124.387 1.075 . . . . 0.0 110.845 -177.141 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 79' ' ' TRP . . . . . . . . . . . . . 63.7 p-90 -76.9 -13.8 59.95 Favored 'General case' 0 C--O 1.219 -0.54 0 CA-C-N 115.332 -0.849 . . . . 0.0 112.848 179.675 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 80' ' ' LEU . . . . . 0.481 HD23 ' HB1' ' A' ' 76' ' ' ALA . 32.1 tp -92.03 113.32 25.55 Favored 'General case' 0 N--CA 1.436 -1.126 0 N-CA-C 107.069 -1.456 . . . . 0.0 107.069 -178.439 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -120.23 159.72 24.37 Favored 'General case' 0 C--N 1.307 -1.258 0 CA-C-O 121.448 0.642 . . . . 0.0 111.127 -176.989 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 82' ' ' ALA . . . . . 0.493 ' HA ' ' O ' ' A' ' 26' ' ' VAL . . . -142.04 138.06 31.53 Favored 'General case' 0 C--N 1.302 -1.485 0 CA-C-N 114.621 -1.172 . . . . 0.0 107.859 174.27 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 9.8 pt-20 -140.42 145.78 42.47 Favored Pre-proline 0 C--N 1.307 -1.276 0 N-CA-C 106.467 -1.679 . . . . 0.0 106.467 176.253 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 84' ' ' PRO . . . . . 0.701 ' HA ' ' O ' ' A' ' 24' ' ' SER . 95.0 Cg_endo -68.37 133.89 29.52 Favored 'Trans proline' 0 N--CA 1.449 -1.109 0 C-N-CA 121.138 1.225 . . . . 0.0 110.175 175.671 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 85' ' ' TYR . . . . . . . . . . . . 0.251 0.6 OUTLIER . . . . . 0 C--O 1.245 0.821 0 N-CA-C 115.097 1.517 . . . . 0.0 115.097 -170.927 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 23.2 t . . . . . 0 C--O 1.238 0.487 0 N-CA-C 107.696 -1.224 . . . . 0.0 107.696 . . . . . . . . . 0 0 . 1 . 002 nuclear build full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . -100.92 107.18 3.22 Favored Glycine 0 N--CA 1.432 -1.593 0 N-CA-C 108.804 -1.718 . . . . 0.0 108.804 176.458 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 10.6 ptp180 -92.0 130.55 37.72 Favored 'General case' 0 C--N 1.309 -1.156 0 CA-C-O 121.89 0.852 . . . . 0.0 112.531 -178.42 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 45.4 mt-10 -104.27 95.97 6.32 Favored 'General case' 0 C--N 1.302 -1.478 0 N-CA-C 106.32 -1.733 . . . . 0.0 106.32 174.938 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 11' ' ' ASN . . . . . . . . . . . . . 14.7 t-20 -150.17 175.14 12.03 Favored 'General case' 0 C--N 1.289 -2.061 0 N-CA-C 105.306 -2.109 . . . . 0.0 105.306 -175.527 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 4.0 pp -71.2 143.9 50.31 Favored 'General case' 0 C--N 1.319 -0.756 0 N-CA-C 106.705 -1.591 . . . . 0.0 106.705 177.039 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 13' ' ' TYR . . . . . 0.433 ' HB2' ' OE1' ' A' ' 15' ' ' GLN . 13.0 p90 -95.52 110.34 22.43 Favored 'General case' 0 C--N 1.291 -1.938 0 CA-C-O 121.562 0.696 . . . . 0.0 110.95 -175.781 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 14' ' ' PHE . . . . . . . . . . . . . 27.3 p90 -117.43 101.18 8.18 Favored 'General case' 0 N--CA 1.434 -1.253 0 CA-C-N 114.602 -1.181 . . . . 0.0 108.922 -178.944 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 15' ' ' GLN . . . . . 0.433 ' OE1' ' HB2' ' A' ' 13' ' ' TYR . 0.6 OUTLIER -147.91 145.33 28.58 Favored 'General case' 0 C--N 1.308 -1.216 0 CA-C-N 115.629 -0.714 . . . . 0.0 109.246 -179.427 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . -118.83 119.84 4.47 Favored Glycine 0 N--CA 1.436 -1.346 0 N-CA-C 109.838 -1.305 . . . . 0.0 109.838 -178.771 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 17' ' ' HIS . . . . . . . . . . . . . 62.5 m-70 -129.02 127.64 42.02 Favored 'General case' 0 C--N 1.302 -1.467 0 CA-C-O 121.295 0.569 . . . . 0.0 111.742 -177.997 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 18' ' ' MET . . . . . . . . . . . . . 3.9 tpt -108.61 88.78 2.81 Favored 'General case' 0 C--N 1.301 -1.533 0 N-CA-C 106.014 -1.847 . . . . 0.0 106.014 174.061 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -91.55 94.71 9.56 Favored 'General case' 0 C--N 1.31 -1.144 0 N-CA-C 107.264 -1.384 . . . . 0.0 107.264 179.628 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -99.17 148.56 34.79 Favored Pre-proline 0 C--N 1.303 -1.448 0 CA-C-N 114.828 -1.078 . . . . 0.0 108.585 -178.261 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 21' ' ' PRO . . . . . . . . . . . . . 35.8 Cg_exo -47.41 109.4 0.22 Allowed 'Trans proline' 0 C--N 1.348 0.528 0 C-N-CA 123.432 2.755 . . . . 0.0 111.309 176.093 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -123.7 15.46 9.45 Favored 'General case' 0 C--N 1.316 -0.867 0 CA-C-O 121.867 0.841 . . . . 0.0 112.291 -175.47 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 23' ' ' ARG . . . . . 0.525 ' C ' HG12 ' A' ' 44' ' ' ILE . 41.9 ttt180 69.68 25.53 5.16 Favored 'General case' 0 C--N 1.304 -1.392 0 CA-C-N 113.629 -1.623 . . . . 0.0 112.402 174.88 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 24' ' ' SER . . . . . 0.667 ' O ' ' HA ' ' A' ' 84' ' ' PRO . 72.8 m -159.96 138.48 10.45 Favored 'General case' 0 C--N 1.326 -0.436 0 C-N-CA 123.941 0.896 . . . . 0.0 110.167 175.706 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 25' ' ' CYS . . . . . . . . . . . . . 98.0 m -108.38 133.46 52.54 Favored 'General case' 0 CA--C 1.5 -0.953 0 N-CA-C 107.344 -1.354 . . . . 0.0 107.344 179.095 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 26' ' ' VAL . . . . . 0.632 ' O ' ' HA ' ' A' ' 82' ' ' ALA . 2.8 t -113.87 126.57 71.37 Favored 'Isoleucine or valine' 0 C--N 1.293 -1.857 0 N-CA-C 107.942 -1.133 . . . . 0.0 107.942 -177.072 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 27' ' ' TYR . . . . . 0.464 ' HA ' ' O ' ' A' ' 81' ' ' ALA . 62.2 m-85 -98.0 128.25 44.44 Favored 'General case' 0 C--N 1.298 -1.647 0 O-C-N 124.522 1.138 . . . . 0.0 109.494 -175.419 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 28' ' ' TYR . . . . . 0.418 ' CD1' ' HB2' ' A' ' 36' ' ' ARG . 87.1 m-85 -124.03 147.13 48.08 Favored 'General case' 0 N--CA 1.429 -1.511 0 CA-C-N 114.683 -1.144 . . . . 0.0 110.03 -177.166 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 29' ' ' ASP . . . . . 0.528 ' HB3' ' HB ' ' A' ' 37' ' ' VAL . 6.4 t70 -91.13 107.89 19.5 Favored 'General case' 0 C--N 1.294 -1.846 0 N-CA-C 105.694 -1.965 . . . . 0.0 105.694 171.579 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . -170.06 136.48 4.01 Favored Glycine 0 N--CA 1.425 -2.072 0 C-N-CA 118.099 -2.0 . . . . 0.0 113.104 -179.35 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 31' ' ' HIS . . . . . . . . . . . . . 24.0 m-70 -84.95 -34.73 22.39 Favored 'General case' 0 C--N 1.292 -1.899 0 CA-C-N 113.609 -1.295 . . . . 0.0 107.807 178.258 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 10.2 mp -116.46 154.44 49.02 Favored Pre-proline 0 C--N 1.311 -1.077 0 N-CA-C 106.442 -1.688 . . . . 0.0 106.442 178.694 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 33' ' ' PRO . . . . . . . . . . . . . 15.0 Cg_endo -60.87 -20.14 65.28 Favored 'Trans proline' 0 CA--C 1.531 0.348 0 C-N-CA 122.018 1.812 . . . . 0.0 110.702 175.464 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -87.85 -28.99 21.26 Favored 'General case' 0 CA--C 1.537 0.469 0 CA-C-N 115.797 -0.638 . . . . 0.0 112.187 179.28 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 36.6 p -93.29 21.25 6.19 Favored 'General case' 0 N--CA 1.466 0.368 0 CA-C-O 121.731 0.777 . . . . 0.0 111.968 -175.292 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 36' ' ' ARG . . . . . 0.418 ' HB2' ' CD1' ' A' ' 28' ' ' TYR . 11.4 ptp180 -63.63 134.16 54.95 Favored 'General case' 0 C--N 1.316 -0.874 0 CA-C-N 113.887 -1.506 . . . . 0.0 112.581 179.673 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 37' ' ' VAL . . . . . 0.528 ' HB ' ' HB3' ' A' ' 29' ' ' ASP . 54.1 t -120.79 121.36 65.04 Favored 'Isoleucine or valine' 0 C--N 1.315 -0.929 0 N-CA-C 106.928 -1.508 . . . . 0.0 106.928 172.086 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 3.1 tm? -60.84 109.13 0.97 Allowed 'General case' 0 C--N 1.317 -0.819 0 C-N-CA 125.02 1.328 . . . . 0.0 110.999 -178.249 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 85.3 mt -91.87 -61.19 1.68 Allowed 'General case' 0 C--N 1.326 -0.43 0 N-CA-C 112.911 0.708 . . . . 0.0 112.911 177.862 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 40' ' ' MET . . . . . . . . . . . . . 45.4 ttm -162.61 149.52 13.22 Favored 'General case' 0 N--CA 1.444 -0.772 0 CA-C-N 116.511 -0.313 . . . . 0.0 111.384 -175.373 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 41' ' ' TYR . . . . . . . . . . . . . 45.0 m-85 -100.44 131.76 46.18 Favored 'General case' 0 C--N 1.326 -0.44 0 N-CA-C 107.503 -1.295 . . . . 0.0 107.503 174.026 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 24.9 t -124.62 131.78 72.23 Favored 'Isoleucine or valine' 0 C--N 1.312 -1.049 0 N-CA-C 107.642 -1.244 . . . . 0.0 107.642 177.376 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 43' ' ' ARG . . . . . 0.508 ' O ' ' HB3' ' A' ' 46' ' ' ASN . 2.2 tmt_? -81.4 142.86 32.6 Favored 'General case' 0 C--N 1.301 -1.539 0 N-CA-C 108.444 -0.947 . . . . 0.0 108.444 -177.387 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 44' ' ' ILE . . . . . 0.525 HG12 ' C ' ' A' ' 23' ' ' ARG . 23.4 mm -59.44 124.35 13.54 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.5 0 CA-C-O 121.548 0.69 . . . . 0.0 110.097 179.633 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . 106.6 -18.02 38.58 Favored Glycine 0 C--N 1.306 -1.103 0 N-CA-C 110.133 -1.187 . . . . 0.0 110.133 -179.976 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 46' ' ' ASN . . . . . 0.508 ' HB3' ' O ' ' A' ' 43' ' ' ARG . 25.5 t-20 -98.43 157.31 16.29 Favored 'General case' 0 C--N 1.312 -1.061 0 CA-C-N 114.372 -0.914 . . . . 0.0 111.631 -174.799 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 13.5 p -115.91 148.24 40.23 Favored 'General case' 0 C--N 1.295 -1.803 0 CA-C-N 114.3 -1.318 . . . . 0.0 110.458 178.613 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -152.51 132.52 13.41 Favored 'General case' 0 C--N 1.305 -1.362 0 O-C-N 123.945 0.778 . . . . 0.0 113.005 -178.625 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 1.3 m -77.73 109.93 12.14 Favored 'General case' 0 C--N 1.305 -1.339 0 CA-C-N 114.198 -1.365 . . . . 0.0 110.121 175.668 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 50' ' ' ILE . . . . . . . . . . . . . 29.8 mm -96.03 110.34 24.31 Favored 'Isoleucine or valine' 0 C--N 1.313 -1.022 0 N-CA-C 107.802 -1.185 . . . . 0.0 107.802 -179.823 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 51' ' ' THR . . . . . 0.438 ' HA ' ' O ' ' A' ' 55' ' ' HIS . 86.4 m -95.62 123.23 39.08 Favored 'General case' 0 C--N 1.296 -1.751 0 C-N-CA 119.036 -1.066 . . . . 0.0 109.506 175.532 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -150.5 128.52 11.84 Favored 'General case' 0 C--N 1.314 -0.938 0 N-CA-C 106.859 -1.534 . . . . 0.0 106.859 177.597 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 53' ' ' ARG . . . . . . . . . . . . . 61.5 mtp180 65.44 16.88 10.74 Favored 'General case' 0 N--CA 1.482 1.135 0 C-N-CA 124.163 0.985 . . . . 0.0 112.196 -177.905 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . 84.2 9.49 82.02 Favored Glycine 0 C--N 1.299 -1.489 0 CA-C-N 115.046 -0.979 . . . . 0.0 111.424 -176.576 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 55' ' ' HIS . . . . . 0.438 ' O ' ' HA ' ' A' ' 51' ' ' THR . 12.4 m-70 -105.58 127.28 52.95 Favored 'General case' 0 C--N 1.319 -0.756 0 N-CA-C 108.155 -1.054 . . . . 0.0 108.155 178.41 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 9.5 mp0 -90.9 122.93 34.02 Favored 'General case' 0 N--CA 1.432 -1.338 0 N-CA-C 108.96 -0.755 . . . . 0.0 108.96 172.171 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 57' ' ' PHE . . . . . . . . . . . . . 86.7 m-85 -106.78 108.11 19.46 Favored 'General case' 0 N--CA 1.427 -1.606 0 N-CA-C 104.446 -2.428 . . . . 0.0 104.446 174.004 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 6.9 tp10 -83.88 109.01 17.23 Favored 'General case' 0 C--N 1.306 -1.318 0 N-CA-C 105.147 -2.168 . . . . 0.0 105.147 179.805 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 59' ' ' VAL . . . . . 0.54 HG12 ' CD1' ' A' ' 70' ' ' LEU . 5.3 m -106.74 163.03 5.17 Favored 'Isoleucine or valine' 0 C--N 1.294 -1.837 0 N-CA-C 109.657 -0.497 . . . . 0.0 109.657 -175.031 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 60' ' ' GLU . . . . . 0.441 ' HB2' ' HB ' ' A' ' 71' ' ' THR . 44.2 tt0 -129.92 115.82 17.74 Favored 'General case' 0 C--N 1.291 -1.976 0 N-CA-C 105.84 -1.911 . . . . 0.0 105.84 170.398 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 61' ' ' ALA . . . . . 0.41 ' O ' ' HA ' ' A' ' 44' ' ' ILE . . . -77.49 88.49 3.84 Favored 'General case' 0 C--O 1.209 -1.035 0 N-CA-C 105.103 -2.184 . . . . 0.0 105.103 174.026 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 62' ' ' LYS . . . . . 0.404 ' H ' ' HG2' ' A' ' 62' ' ' LYS . 0.0 OUTLIER -96.06 -24.53 16.29 Favored 'General case' 0 C--N 1.296 -1.76 0 N-CA-C 115.021 1.489 . . . . 0.0 115.021 -171.199 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 30.3 t70 -139.75 143.46 36.97 Favored 'General case' 0 N--CA 1.434 -1.253 0 N-CA-C 108.376 -0.972 . . . . 0.0 108.376 -176.267 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 64' ' ' GLN . . . . . . . . . . . . . 21.8 mm-40 -63.75 -9.25 13.42 Favored 'General case' 0 C--N 1.321 -0.662 0 C-N-CA 124.707 1.203 . . . . 0.0 113.948 -176.079 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 65' ' ' ASN . . . . . . . . . . . . . 41.5 m-80 -84.17 -8.22 59.14 Favored 'General case' 0 CA--C 1.507 -0.68 0 C-N-CA 119.698 -0.801 . . . . 0.0 109.082 179.723 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 66' ' ' CYS . . . . . . . . . . . . 0.275 75.3 m 54.06 56.02 7.57 Favored 'General case' 0 N--CA 1.435 -1.175 0 N-CA-C 117.117 2.266 . . . . 0.0 117.117 172.114 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 4.7 mptp? -78.28 155.11 30.39 Favored 'General case' 0 CA--C 1.48 -1.746 0 N-CA-C 107.148 -1.427 . . . . 0.0 107.148 167.831 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 68' ' ' VAL . . . . . . . . . . . . . 5.2 p -87.11 99.05 7.88 Favored 'Isoleucine or valine' 0 C--N 1.274 -2.713 0 C-N-CA 117.942 -1.503 . . . . 0.0 107.311 176.209 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 69' ' ' ILE . . . . . . . . . . . . . 84.8 mt -119.33 123.14 70.73 Favored 'Isoleucine or valine' 0 N--CA 1.424 -1.767 0 N-CA-C 106.234 -1.765 . . . . 0.0 106.234 -176.988 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 70' ' ' LEU . . . . . 0.612 HD21 ' HB2' ' A' ' 76' ' ' ALA . 2.4 mm? -83.66 146.46 28.24 Favored 'General case' 0 N--CA 1.399 -3.002 0 CA-C-N 114.507 -1.224 . . . . 0.0 108.545 -177.092 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 71' ' ' THR . . . . . 0.441 ' HB ' ' HB2' ' A' ' 60' ' ' GLU . 6.2 t -83.33 -10.65 58.36 Favored 'General case' 0 C--N 1.271 -2.842 0 CA-C-N 113.941 -1.481 . . . . 0.0 110.656 -175.664 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 72' ' ' ASN . . . . . . . . . . . . . 32.4 p-10 -103.24 -14.56 16.3 Favored 'General case' 0 C--N 1.318 -0.78 0 N-CA-C 113.925 1.083 . . . . 0.0 113.925 -173.907 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 73' ' ' GLY . . . . . . . . . . . . . . . 116.45 3.95 18.25 Favored Glycine 0 C--N 1.315 -0.629 0 C-N-CA 119.197 -1.478 . . . . 0.0 112.58 175.642 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 74' ' ' LYS . . . . . 0.421 ' HB2' ' HG ' ' A' ' 70' ' ' LEU . 62.9 mmtt -76.0 167.28 22.15 Favored 'General case' 0 C--N 1.311 -1.081 0 CA-C-O 121.64 0.733 . . . . 0.0 110.759 176.447 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 75' ' ' GLN . . . . . . . . . . . . . 20.5 tt0 -117.38 126.23 52.33 Favored 'General case' 0 C--N 1.297 -1.71 0 N-CA-C 105.019 -2.215 . . . . 0.0 105.019 168.791 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 76' ' ' ALA . . . . . 0.612 ' HB2' HD21 ' A' ' 70' ' ' LEU . . . -87.51 150.18 48.21 Favored Pre-proline 0 C--N 1.305 -1.364 0 C-N-CA 119.977 -0.689 . . . . 0.0 109.597 -178.778 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 77' ' ' PRO . . . . . 0.45 ' HB2' ' CD1' ' A' ' 79' ' ' TRP . 22.7 Cg_exo -65.98 159.59 48.43 Favored 'Trans proline' 0 C--O 1.236 0.414 0 C-N-CA 122.809 2.34 . . . . 0.0 113.11 179.888 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 78' ' ' ASP . . . . . . . . . . . . . 21.0 t70 -59.25 -24.16 62.97 Favored 'General case' 0 C--N 1.318 -0.798 0 C-N-CA 125.39 1.476 . . . . 0.0 113.091 -179.069 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 79' ' ' TRP . . . . . 0.45 ' CD1' ' HB2' ' A' ' 77' ' ' PRO . 64.3 p-90 -76.87 -15.44 59.7 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 121.862 -0.524 . . . . 0.0 111.531 179.393 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 80' ' ' LEU . . . . . 0.61 HD23 ' HB1' ' A' ' 76' ' ' ALA . 28.2 tp -90.39 105.96 18.17 Favored 'General case' 0 N--CA 1.435 -1.21 0 N-CA-C 108.385 -0.968 . . . . 0.0 108.385 -179.124 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 81' ' ' ALA . . . . . 0.464 ' O ' ' HA ' ' A' ' 27' ' ' TYR . . . -103.04 165.99 10.7 Favored 'General case' 0 C--N 1.313 -0.993 0 CA-C-N 115.837 -0.619 . . . . 0.0 110.831 -177.817 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 82' ' ' ALA . . . . . 0.632 ' HA ' ' O ' ' A' ' 26' ' ' VAL . . . -153.46 137.07 15.98 Favored 'General case' 0 C--N 1.308 -1.21 0 CA-C-N 114.515 -1.22 . . . . 0.0 110.49 176.41 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 18.3 pt-20 -138.11 141.61 32.77 Favored Pre-proline 0 C--N 1.321 -0.632 0 N-CA-C 106.275 -1.75 . . . . 0.0 106.275 176.066 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 84' ' ' PRO . . . . . 0.667 ' HA ' ' O ' ' A' ' 24' ' ' SER . 74.1 Cg_endo -68.06 119.67 6.67 Favored 'Trans proline' 0 N--CA 1.454 -0.814 0 CA-C-N 120.959 1.378 . . . . 0.0 109.308 172.429 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 85' ' ' TYR . . . . . 0.642 ' CD1' ' HB2' ' A' ' 24' ' ' SER 0.257 0.1 OUTLIER . . . . . 0 C--O 1.25 1.097 0 N-CA-C 115.931 1.826 . . . . 0.0 115.931 -171.223 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 15.2 m . . . . . 0 N--CA 1.449 -0.484 0 CA-C-O 121.94 0.876 . . . . 0.0 108.945 . . . . . . . . . 0 0 . 1 . 003 nuclear build full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . -116.41 124.22 6.13 Favored Glycine 0 N--CA 1.427 -1.935 0 N-CA-C 109.265 -1.534 . . . . 0.0 109.265 -179.222 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 8.1 ptm180 -132.11 92.01 3.04 Favored 'General case' 0 C--N 1.3 -1.548 0 CA-C-O 122.38 1.086 . . . . 0.0 109.019 179.065 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 10.6 pt-20 -94.76 98.22 10.61 Favored 'General case' 0 N--CA 1.436 -1.159 0 CA-C-N 115.001 -1.0 . . . . 0.0 109.172 179.455 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 11' ' ' ASN . . . . . . . . . . . . . 8.9 t30 -84.39 102.48 12.78 Favored 'General case' 0 C--N 1.308 -1.229 0 N-CA-C 107.582 -1.266 . . . . 0.0 107.582 178.145 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 93.1 mt -83.5 -179.64 7.4 Favored 'General case' 0 C--N 1.305 -1.342 0 CA-C-N 115.536 -0.757 . . . . 0.0 109.285 179.822 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 13' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER -135.88 163.19 30.81 Favored 'General case' 0 C--N 1.286 -2.193 0 CA-C-N 115.276 -0.874 . . . . 0.0 110.498 -178.487 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 14' ' ' PHE . . . . . . . . . . . . . 77.4 m-85 -74.72 104.98 5.58 Favored 'General case' 0 N--CA 1.437 -1.123 0 O-C-N 124.805 1.316 . . . . 0.0 107.893 -179.072 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 11.5 pt20 -92.21 138.96 31.09 Favored 'General case' 0 N--CA 1.434 -1.227 0 CA-C-N 114.689 -1.141 . . . . 0.0 110.279 -173.427 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . -124.18 89.64 0.4 Allowed Glycine 0 N--CA 1.439 -1.119 0 N-CA-C 109.586 -1.405 . . . . 0.0 109.586 178.144 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 17' ' ' HIS . . . . . . . . . . . . . 53.0 m-70 -142.98 170.15 16.24 Favored 'General case' 0 C--N 1.315 -0.892 0 N-CA-C 108.119 -1.067 . . . . 0.0 108.119 -177.374 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 18' ' ' MET . . . . . . . . . . . . . 91.9 mtp -94.44 176.97 6.1 Favored 'General case' 0 C--N 1.32 -0.711 0 N-CA-C 109.546 -0.538 . . . . 0.0 109.546 175.962 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -65.53 108.63 2.08 Favored 'General case' 0 C--N 1.313 -1.01 0 O-C-N 124.43 1.081 . . . . 0.0 110.482 -179.648 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -110.28 146.98 35.38 Favored Pre-proline 0 C--N 1.308 -1.211 0 N-CA-C 108.362 -0.977 . . . . 0.0 108.362 179.572 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 21' ' ' PRO . . . . . . . . . . . . . 73.0 Cg_exo -48.57 112.03 0.55 Allowed 'Trans proline' 0 C--O 1.247 0.931 0 C-N-CA 123.004 2.47 . . . . 0.0 110.058 173.534 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -127.36 25.82 6.08 Favored 'General case' 0 C--N 1.323 -0.573 0 CA-C-N 115.719 -0.673 . . . . 0.0 112.723 -173.036 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 23' ' ' ARG . . . . . 0.631 ' C ' HG12 ' A' ' 44' ' ' ILE . 68.6 mtp180 65.38 20.84 11.86 Favored 'General case' 0 C--N 1.31 -1.114 0 N-CA-C 115.048 1.499 . . . . 0.0 115.048 178.405 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 24' ' ' SER . . . . . 0.681 ' O ' ' HA ' ' A' ' 84' ' ' PRO . 52.9 m -153.72 141.35 19.91 Favored 'General case' 0 C--N 1.32 -0.698 0 O-C-N 121.054 -1.029 . . . . 0.0 110.04 174.714 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 25' ' ' CYS . . . . . . . . . . . . . 96.1 m -108.11 131.11 54.96 Favored 'General case' 0 CA--C 1.495 -1.148 0 N-CA-C 106.668 -1.604 . . . . 0.0 106.668 177.443 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 26' ' ' VAL . . . . . 0.608 ' O ' ' HA ' ' A' ' 82' ' ' ALA . 2.9 t -114.9 124.1 71.23 Favored 'Isoleucine or valine' 0 C--N 1.287 -2.118 0 N-CA-C 107.191 -1.411 . . . . 0.0 107.191 -175.351 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 27' ' ' TYR . . . . . 0.404 ' HA ' ' O ' ' A' ' 81' ' ' ALA . 94.6 m-85 -92.84 135.75 33.86 Favored 'General case' 0 C--N 1.29 -1.997 0 O-C-N 124.514 1.134 . . . . 0.0 109.795 -175.776 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 28' ' ' TYR . . . . . 0.509 ' HB3' ' HB2' ' A' ' 36' ' ' ARG . 42.6 m-85 -129.26 151.32 50.04 Favored 'General case' 0 N--CA 1.416 -2.152 0 CA-C-N 114.622 -1.172 . . . . 0.0 109.461 -179.481 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 29' ' ' ASP . . . . . 0.446 ' HB3' ' HB ' ' A' ' 37' ' ' VAL . 7.1 t0 -102.0 102.4 12.91 Favored 'General case' 0 C--N 1.297 -1.716 0 CA-C-N 114.648 -1.16 . . . . 0.0 108.11 174.034 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . -170.94 134.37 3.09 Favored Glycine 0 N--CA 1.431 -1.646 0 C-N-CA 120.451 -0.881 . . . . 0.0 113.345 178.334 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 31' ' ' HIS . . . . . . . . . . . . . 86.5 m-70 -83.53 -21.16 32.81 Favored 'General case' 0 C--N 1.306 -1.291 0 N-CA-C 106.964 -1.495 . . . . 0.0 106.964 176.16 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 2.5 mm? -124.11 145.62 48.81 Favored Pre-proline 0 N--CA 1.434 -1.239 0 N-CA-C 106.304 -1.739 . . . . 0.0 106.304 175.906 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 33' ' ' PRO . . . . . . . . . . . . . 33.8 Cg_endo -68.14 -8.93 24.21 Favored 'Trans proline' 0 CA--C 1.536 0.623 0 C-N-CA 123.165 2.576 . . . . 0.0 111.192 176.043 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -82.14 -51.34 8.08 Favored 'General case' 0 C--N 1.315 -0.925 0 CA-C-N 115.274 -0.875 . . . . 0.0 109.9 177.4 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 26.8 p -90.79 14.22 14.17 Favored 'General case' 0 C--N 1.312 -1.051 0 CA-C-N 115.256 -0.884 . . . . 0.0 112.462 -173.149 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 36' ' ' ARG . . . . . 0.509 ' HB2' ' HB3' ' A' ' 28' ' ' TYR . 30.4 ptt180 -72.99 139.82 46.93 Favored 'General case' 0 C--N 1.322 -0.6 0 CA-C-O 121.038 0.447 . . . . 0.0 111.834 -176.455 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 37' ' ' VAL . . . . . 0.461 ' O ' ' HA ' ' A' ' 28' ' ' TYR . 70.9 t -110.16 133.9 54.04 Favored 'Isoleucine or valine' 0 C--N 1.316 -0.85 0 C-N-CA 124.298 1.039 . . . . 0.0 108.48 -174.946 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 2.6 tm? -70.29 110.81 5.46 Favored 'General case' 0 C--N 1.312 -1.044 0 N-CA-C 109.064 -0.717 . . . . 0.0 109.064 -178.595 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 99.2 mt -90.74 -61.76 1.6 Allowed 'General case' 0 C--N 1.328 -0.351 0 C-N-CA 120.744 -0.382 . . . . 0.0 111.681 179.388 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 40' ' ' MET . . . . . . . . . . . . . 33.9 ttp -167.77 150.38 5.79 Favored 'General case' 0 N--CA 1.448 -0.551 0 N-CA-C 111.975 0.361 . . . . 0.0 111.975 -176.695 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 41' ' ' TYR . . . . . . . . . . . . . 58.5 m-85 -93.89 125.77 38.7 Favored 'General case' 0 C--O 1.237 0.428 0 C-N-CA 124.097 0.959 . . . . 0.0 108.63 175.919 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 49.0 t -120.42 126.46 75.28 Favored 'Isoleucine or valine' 0 C--N 1.312 -1.037 0 N-CA-C 109.856 -0.424 . . . . 0.0 109.856 179.095 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 43' ' ' ARG . . . . . 0.417 ' O ' ' HB3' ' A' ' 46' ' ' ASN . 41.1 mmm-85 -64.58 145.33 56.32 Favored 'General case' 0 C--N 1.308 -1.228 0 N-CA-C 113.216 0.821 . . . . 0.0 113.216 176.457 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 44' ' ' ILE . . . . . 0.631 HG12 ' C ' ' A' ' 23' ' ' ARG . 36.3 mm -68.16 133.65 31.38 Favored 'Isoleucine or valine' 0 C--N 1.304 -1.401 0 CA-C-N 114.572 -1.195 . . . . 0.0 108.421 175.897 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . 95.28 1.98 62.31 Favored Glycine 0 C--N 1.3 -1.447 0 N-CA-C 109.829 -1.308 . . . . 0.0 109.829 179.192 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 46' ' ' ASN . . . . . 0.417 ' HB3' ' O ' ' A' ' 43' ' ' ARG . 51.6 t30 -119.75 161.73 20.25 Favored 'General case' 0 N--CA 1.435 -1.193 0 CA-C-N 114.572 -0.814 . . . . 0.0 109.886 -176.151 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 19.3 p -115.35 157.79 23.35 Favored 'General case' 0 C--N 1.286 -2.154 0 N-CA-C 107.595 -1.261 . . . . 0.0 107.595 178.199 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -160.49 137.57 9.17 Favored 'General case' 0 C--N 1.306 -1.293 0 N-CA-C 114.063 1.135 . . . . 0.0 114.063 -179.964 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 2.6 m -77.04 108.38 10.07 Favored 'General case' 0 C--N 1.306 -1.298 0 C-N-CA 125.747 1.619 . . . . 0.0 109.843 175.366 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 50' ' ' ILE . . . . . . . . . . . . . 10.8 mm -101.28 112.67 35.02 Favored 'Isoleucine or valine' 0 C--N 1.315 -0.905 0 N-CA-C 107.85 -1.167 . . . . 0.0 107.85 178.639 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 94.8 m -92.71 123.69 36.17 Favored 'General case' 0 C--N 1.298 -1.665 0 C-N-CA 118.187 -1.405 . . . . 0.0 108.448 175.705 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -145.87 123.9 12.1 Favored 'General case' 0 C--N 1.311 -1.071 0 N-CA-C 107.836 -1.172 . . . . 0.0 107.836 178.36 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 53' ' ' ARG . . . . . 0.408 HH12 ' CG ' ' A' ' 29' ' ' ASP . 80.7 mtt85 62.74 26.23 15.52 Favored 'General case' 0 N--CA 1.474 0.773 0 CA-C-O 122.178 0.99 . . . . 0.0 110.246 -177.6 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . 82.88 3.39 90.51 Favored Glycine 0 N--CA 1.443 -0.872 0 CA-C-N 114.433 -1.258 . . . . 0.0 113.235 -179.933 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 55' ' ' HIS . . . . . . . . . . . . . 85.4 m-70 -104.62 127.88 52.49 Favored 'General case' 0 C--N 1.321 -0.67 0 N-CA-C 108.861 -0.792 . . . . 0.0 108.861 179.801 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 14.8 mp0 -85.17 123.36 30.59 Favored 'General case' 0 C--N 1.312 -1.037 0 N-CA-C 109.544 -0.539 . . . . 0.0 109.544 172.515 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 57' ' ' PHE . . . . . 0.532 ' HB3' HD11 ' A' ' 70' ' ' LEU . 97.6 m-85 -109.36 104.84 14.02 Favored 'General case' 0 N--CA 1.421 -1.92 0 N-CA-C 105.011 -2.218 . . . . 0.0 105.011 175.453 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 19.2 tp10 -84.27 110.57 18.66 Favored 'General case' 0 N--CA 1.431 -1.38 0 N-CA-C 103.846 -2.65 . . . . 0.0 103.846 178.432 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 59' ' ' VAL . . . . . 0.558 HG12 HD13 ' A' ' 70' ' ' LEU . 35.4 m -99.87 165.06 2.5 Favored 'Isoleucine or valine' 0 C--N 1.291 -1.952 0 CA-C-N 115.678 -0.692 . . . . 0.0 110.399 -176.642 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 41.0 tt0 -126.26 99.75 6.0 Favored 'General case' 0 N--CA 1.411 -2.377 0 N-CA-C 104.961 -2.237 . . . . 0.0 104.961 178.318 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -83.66 87.93 7.05 Favored 'General case' 0 CA--C 1.501 -0.942 0 N-CA-C 106.46 -1.681 . . . . 0.0 106.46 179.5 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 17.8 ptmt -96.06 -25.56 15.85 Favored 'General case' 0 C--N 1.301 -1.515 0 N-CA-C 115.457 1.651 . . . . 0.0 115.457 -176.219 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 21.8 t70 -134.95 137.33 42.99 Favored 'General case' 0 N--CA 1.437 -1.111 0 C-N-CA 119.338 -0.945 . . . . 0.0 109.154 -177.367 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 64' ' ' GLN . . . . . 0.436 ' HB3' HG13 ' A' ' 44' ' ' ILE 0.338 15.5 pt20 -74.36 14.65 0.42 Allowed 'General case' 0 C--N 1.319 -0.74 0 N-CA-C 116.694 2.109 . . . . 0.0 116.694 -177.32 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 65' ' ' ASN . . . . . . . . . . . . . 10.2 m120 -88.75 -11.25 45.57 Favored 'General case' 0 C--N 1.325 -0.463 0 CA-C-O 122.524 1.154 . . . . 0.0 107.905 167.968 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 66' ' ' CYS . . . . . . . . . . . . 0.291 83.7 m 58.83 55.77 4.44 Favored 'General case' 0 N--CA 1.44 -0.964 0 N-CA-C 118.602 2.815 . . . . 0.0 118.602 170.394 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 4.7 mptp? -79.41 155.19 28.48 Favored 'General case' 0 N--CA 1.431 -1.414 0 N-CA-C 107.606 -1.257 . . . . 0.0 107.606 164.919 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 68' ' ' VAL . . . . . . . . . . . . . 7.6 p -85.24 109.49 18.25 Favored 'Isoleucine or valine' 0 C--N 1.286 -2.164 0 C-N-CA 118.691 -1.204 . . . . 0.0 109.946 179.095 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 69' ' ' ILE . . . . . . . . . . . . . 98.5 mt -119.66 128.73 75.9 Favored 'Isoleucine or valine' 0 C--N 1.309 -1.184 0 N-CA-C 106.692 -1.595 . . . . 0.0 106.692 -179.455 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 70' ' ' LEU . . . . . 0.727 HD21 ' HB2' ' A' ' 76' ' ' ALA . 3.7 mm? -95.93 154.98 16.95 Favored 'General case' 0 C--N 1.297 -1.706 0 CA-C-N 116.079 -0.51 . . . . 0.0 110.734 -177.428 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 71' ' ' THR . . . . . . . . . . . . . 41.1 p -65.72 -27.4 68.29 Favored 'General case' 0 C--N 1.296 -1.726 0 CA-C-N 114.556 -1.202 . . . . 0.0 110.865 176.841 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 72' ' ' ASN . . . . . 0.63 ' HB2' ' HG2' ' A' ' 74' ' ' LYS . 43.4 m-80 -91.37 -3.73 56.44 Favored 'General case' 0 C--N 1.316 -0.852 0 CA-C-N 115.267 -0.879 . . . . 0.0 109.175 -179.075 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 73' ' ' GLY . . . . . . . . . . . . . . . 72.67 29.96 64.75 Favored Glycine 0 CA--C 1.499 -0.924 0 CA-C-N 114.704 -1.135 . . . . 0.0 110.891 177.962 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 74' ' ' LYS . . . . . 0.63 ' HG2' ' HB2' ' A' ' 72' ' ' ASN . 30.0 mmmt -75.66 154.07 36.79 Favored 'General case' 0 N--CA 1.426 -1.633 0 CA-C-N 114.055 -1.072 . . . . 0.0 112.737 -174.236 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 75' ' ' GLN . . . . . . . . . . . . . 33.7 tt0 -78.79 104.9 9.73 Favored 'General case' 0 C--N 1.3 -1.569 0 N-CA-C 105.025 -2.213 . . . . 0.0 105.025 172.203 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 76' ' ' ALA . . . . . 0.727 ' HB2' HD21 ' A' ' 70' ' ' LEU . . . -79.91 141.61 55.22 Favored Pre-proline 0 N--CA 1.434 -1.237 0 C-N-CA 119.405 -0.918 . . . . 0.0 109.977 -178.228 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 77' ' ' PRO . . . . . . . . . . . . . 75.3 Cg_exo -49.07 152.14 5.24 Favored 'Trans proline' 0 N--CA 1.461 -0.414 0 C-N-CA 123.703 2.935 . . . . 0.0 112.908 176.048 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 78' ' ' ASP . . . . . . . . . . . . . 7.3 p-10 -66.21 -13.3 60.08 Favored 'General case' 0 C--N 1.319 -0.732 0 CA-C-N 115.686 -0.688 . . . . 0.0 112.066 -178.371 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 79' ' ' TRP . . . . . . . . . . . . . 62.0 p-90 -90.44 -8.1 51.4 Favored 'General case' 0 N--CA 1.445 -0.676 0 CA-C-O 120.98 0.419 . . . . 0.0 111.218 176.541 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 80' ' ' LEU . . . . . 0.596 HD23 ' HB1' ' A' ' 76' ' ' ALA . 20.2 tp -88.69 104.87 17.28 Favored 'General case' 0 N--CA 1.425 -1.709 0 C-N-CA 119.101 -1.04 . . . . 0.0 108.343 -177.727 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 81' ' ' ALA . . . . . 0.438 ' HB3' ' HB2' ' A' ' 28' ' ' TYR . . . -108.72 162.14 14.45 Favored 'General case' 0 CA--C 1.496 -1.099 0 CA-C-N 115.721 -0.672 . . . . 0.0 111.118 -177.141 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 82' ' ' ALA . . . . . 0.608 ' HA ' ' O ' ' A' ' 26' ' ' VAL . . . -152.14 140.64 20.67 Favored 'General case' 0 C--N 1.302 -1.459 0 CA-C-N 114.183 -1.371 . . . . 0.0 108.36 175.601 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 18.6 pt-20 -143.26 150.52 52.24 Favored Pre-proline 0 C--N 1.31 -1.124 0 N-CA-C 106.096 -1.816 . . . . 0.0 106.096 175.055 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 84' ' ' PRO . . . . . 0.681 ' HA ' ' O ' ' A' ' 24' ' ' SER . 95.6 Cg_endo -73.34 122.57 8.07 Favored 'Trans proline' 0 N--CA 1.445 -1.373 0 C-N-CA 121.079 1.186 . . . . 0.0 109.11 171.869 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 85' ' ' TYR . . . . . 0.615 ' CD1' ' HB2' ' A' ' 24' ' ' SER . 0.8 OUTLIER . . . . . 0 C--O 1.253 1.266 0 C-N-CA 125.886 1.674 . . . . 0.0 115.434 -171.015 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 23.3 t . . . . . 0 C--O 1.238 0.45 0 N-CA-C 108.659 -0.867 . . . . 0.0 108.659 . . . . . . . . . 0 0 . 1 . 004 nuclear build full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . -107.01 89.3 0.58 Allowed Glycine 0 CA--C 1.492 -1.352 0 N-CA-C 109.317 -1.513 . . . . 0.0 109.317 179.615 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 54.0 ttt180 -142.73 102.4 4.03 Favored 'General case' 0 N--CA 1.415 -2.195 0 CA-C-O 121.228 0.537 . . . . 0.0 109.907 -177.934 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 8.3 mp0 -117.06 126.32 52.67 Favored 'General case' 0 C--N 1.304 -1.396 0 N-CA-C 106.319 -1.734 . . . . 0.0 106.319 176.08 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 11' ' ' ASN . . . . . . . . . . . . . 40.4 t-20 -85.01 101.43 12.38 Favored 'General case' 0 C--N 1.313 -1.0 0 CA-C-O 121.735 0.779 . . . . 0.0 109.977 -178.222 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 88.7 mt -128.8 -179.51 5.12 Favored 'General case' 0 C--N 1.308 -1.218 0 CA-C-N 114.673 -1.148 . . . . 0.0 108.679 -179.114 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 13' ' ' TYR . . . . . . . . . . . . . 66.1 m-85 -68.08 121.53 16.34 Favored 'General case' 0 C--N 1.305 -1.365 0 N-CA-C 113.15 0.796 . . . . 0.0 113.15 -176.918 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 14' ' ' PHE . . . . . . . . . . . . . 44.1 m-85 -80.38 89.4 5.56 Favored 'General case' 0 N--CA 1.438 -1.068 0 N-CA-C 105.405 -2.072 . . . . 0.0 105.405 168.734 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 15' ' ' GLN . . . . . 0.45 ' H ' ' HG3' ' A' ' 33' ' ' PRO . 46.7 mt-30 -73.27 92.54 1.79 Allowed 'General case' 0 C--N 1.308 -1.197 0 CA-C-N 114.054 -1.43 . . . . 0.0 109.397 -178.073 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . -75.91 100.94 1.39 Allowed Glycine 0 N--CA 1.42 -2.39 0 CA-C-N 113.498 -1.683 . . . . 0.0 110.27 179.077 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 17' ' ' HIS . . . . . . . . . . . . . 73.4 m-70 -71.49 131.09 42.8 Favored 'General case' 0 C--N 1.309 -1.162 0 N-CA-C 104.607 -2.368 . . . . 0.0 104.607 173.715 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 18' ' ' MET . . . . . . . . . . . . . 89.0 mtp -56.1 126.38 25.76 Favored 'General case' 0 CA--C 1.499 -0.983 0 CA-C-O 122.573 1.177 . . . . 0.0 113.986 -175.288 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -133.15 142.81 48.85 Favored 'General case' 0 C--N 1.293 -1.848 0 CA-C-N 112.113 -2.312 . . . . 0.0 105.317 -179.871 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -90.48 148.58 39.14 Favored Pre-proline 0 C--N 1.296 -1.721 0 CA-C-O 119.406 -0.331 . . . . 0.0 110.253 -175.759 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 21' ' ' PRO . . . . . . . . . . . . . 51.6 Cg_exo -59.46 96.04 0.09 OUTLIER 'Trans proline' 0 C--N 1.352 0.761 0 C-N-CA 122.477 2.118 . . . . 0.0 108.896 171.988 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -107.07 20.81 18.49 Favored 'General case' 0 C--N 1.311 -1.105 0 CA-C-N 114.615 -1.175 . . . . 0.0 113.532 -171.475 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 23' ' ' ARG . . . . . 0.565 ' C ' HG12 ' A' ' 44' ' ' ILE . 53.2 mtt180 64.2 24.34 13.37 Favored 'General case' 0 C--N 1.304 -1.378 0 N-CA-C 114.471 1.286 . . . . 0.0 114.471 179.775 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 24' ' ' SER . . . . . 0.697 ' O ' ' HA ' ' A' ' 84' ' ' PRO . 75.0 m -148.49 143.55 26.78 Favored 'General case' 0 C--N 1.317 -0.837 0 O-C-N 121.776 -0.577 . . . . 0.0 110.69 174.534 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 25' ' ' CYS . . . . . . . . . . . . . 55.9 m -107.81 131.23 54.69 Favored 'General case' 0 CA--C 1.501 -0.909 0 N-CA-C 106.705 -1.591 . . . . 0.0 106.705 175.416 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 26' ' ' VAL . . . . . 0.564 ' O ' ' HA ' ' A' ' 82' ' ' ALA . 6.7 t -115.05 114.11 45.55 Favored 'Isoleucine or valine' 0 C--N 1.286 -2.173 0 N-CA-C 106.73 -1.582 . . . . 0.0 106.73 -174.264 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 27' ' ' TYR . . . . . . . . . . . . . 19.2 m-85 -88.84 129.82 35.51 Favored 'General case' 0 C--N 1.309 -1.174 0 O-C-N 123.924 0.765 . . . . 0.0 112.162 -173.22 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 28' ' ' TYR . . . . . 0.542 ' HA ' ' O ' ' A' ' 37' ' ' VAL . 97.6 m-85 -127.46 138.31 52.92 Favored 'General case' 0 N--CA 1.418 -2.07 0 CA-C-N 114.325 -1.307 . . . . 0.0 110.56 -178.493 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 29' ' ' ASP . . . . . 0.478 ' HB3' ' HB ' ' A' ' 37' ' ' VAL . 2.2 t70 -92.24 102.66 15.17 Favored 'General case' 0 C--N 1.301 -1.502 0 N-CA-C 106.454 -1.684 . . . . 0.0 106.454 173.25 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . -172.81 137.78 4.37 Favored Glycine 0 CA--C 1.48 -2.138 0 C-N-CA 119.052 -1.547 . . . . 0.0 112.83 177.884 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 31' ' ' HIS . . . . . . . . . . . . . 6.8 t-80 -95.51 -6.05 41.44 Favored 'General case' 0 C--N 1.298 -1.632 0 N-CA-C 107.475 -1.306 . . . . 0.0 107.475 176.358 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 2.7 mm? -125.32 151.29 69.55 Favored Pre-proline 0 N--CA 1.438 -1.053 0 N-CA-C 107.247 -1.39 . . . . 0.0 107.247 176.927 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 33' ' ' PRO . . . . . 0.45 ' HG3' ' H ' ' A' ' 15' ' ' GLN . 74.5 Cg_endo -74.02 -6.6 18.76 Favored 'Trans proline' 0 CA--C 1.538 0.712 0 C-N-CA 122.853 2.369 . . . . 0.0 112.0 177.625 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -97.37 -51.65 4.09 Favored 'General case' 0 C--N 1.322 -0.593 0 N-CA-C 112.427 0.529 . . . . 0.0 112.427 -178.938 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 33.9 p -90.43 19.33 5.31 Favored 'General case' 0 C--O 1.241 0.642 0 CA-C-O 121.786 0.803 . . . . 0.0 112.423 -172.717 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 36' ' ' ARG . . . . . 0.533 ' HB2' ' HB3' ' A' ' 28' ' ' TYR . 32.4 ptt180 -71.2 149.73 46.01 Favored 'General case' 0 C--N 1.31 -1.127 0 CA-C-N 115.063 -0.971 . . . . 0.0 110.234 -179.65 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 37' ' ' VAL . . . . . 0.542 ' O ' ' HA ' ' A' ' 28' ' ' TYR . 58.3 t -121.29 129.85 75.22 Favored 'Isoleucine or valine' 0 C--N 1.311 -1.067 0 N-CA-C 108.405 -0.961 . . . . 0.0 108.405 -174.886 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 3.4 tm? -69.01 114.61 7.46 Favored 'General case' 0 C--N 1.319 -0.724 0 N-CA-C 108.714 -0.847 . . . . 0.0 108.714 177.729 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 86.3 mt -90.81 -61.54 1.65 Allowed 'General case' 0 C--N 1.315 -0.892 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.806 179.092 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 40' ' ' MET . . . . . . . . . . . . . 22.9 ttp -164.83 155.11 13.98 Favored 'General case' 0 N--CA 1.441 -0.883 0 CA-C-N 116.192 -0.458 . . . . 0.0 109.803 -177.287 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 41' ' ' TYR . . . . . . . . . . . . . 87.7 m-85 -96.28 138.27 34.12 Favored 'General case' 0 C--N 1.318 -0.795 0 C-N-CA 123.533 0.733 . . . . 0.0 109.352 176.159 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 51.1 t -126.52 145.04 34.72 Favored 'Isoleucine or valine' 0 C--N 1.313 -1.007 0 N-CA-C 107.477 -1.305 . . . . 0.0 107.477 177.841 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 43' ' ' ARG . . . . . 0.423 ' HD3' ' OG ' ' A' ' 24' ' ' SER . 2.7 tpp180 -93.29 135.64 34.32 Favored 'General case' 0 C--N 1.301 -1.53 0 N-CA-C 107.041 -1.466 . . . . 0.0 107.041 -179.605 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 44' ' ' ILE . . . . . 0.565 HG12 ' C ' ' A' ' 23' ' ' ARG . 21.9 mm -59.94 120.38 5.66 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.107 0 CA-C-O 121.571 0.701 . . . . 0.0 110.031 179.134 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . 113.08 -17.34 22.21 Favored Glycine 0 C--N 1.297 -1.594 0 CA-C-N 114.817 -1.083 . . . . 0.0 110.425 177.021 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 46' ' ' ASN . . . . . . . . . . . . . 63.5 t30 -102.83 162.61 12.79 Favored 'General case' 0 C--N 1.303 -1.425 0 CA-C-O 121.672 0.749 . . . . 0.0 109.781 -176.272 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 47' ' ' THR . . . . . 0.432 ' HA ' ' HA ' ' A' ' 60' ' ' GLU . 17.8 p -101.53 154.72 18.59 Favored 'General case' 0 C--N 1.289 -2.048 0 CA-C-N 114.595 -1.184 . . . . 0.0 109.526 178.702 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -148.54 146.64 28.39 Favored 'General case' 0 C--N 1.295 -1.801 0 CA-C-N 115.499 -0.773 . . . . 0.0 111.509 177.619 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 7.1 m -108.23 110.51 22.15 Favored 'General case' 0 C--N 1.303 -1.424 0 N-CA-C 107.192 -1.41 . . . . 0.0 107.192 178.208 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 50' ' ' ILE . . . . . . . . . . . . . 17.7 mm -96.81 109.15 22.53 Favored 'Isoleucine or valine' 0 C--O 1.209 -1.072 0 N-CA-C 107.527 -1.286 . . . . 0.0 107.527 179.774 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 13.7 m -92.37 124.65 36.58 Favored 'General case' 0 C--N 1.287 -2.109 0 N-CA-C 106.832 -1.544 . . . . 0.0 106.832 174.389 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -148.96 121.87 8.76 Favored 'General case' 0 C--N 1.307 -1.266 0 N-CA-C 107.37 -1.344 . . . . 0.0 107.37 177.941 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 53' ' ' ARG . . . . . . . . . . . . . 74.8 mtt85 66.8 22.54 10.26 Favored 'General case' 0 C--N 1.327 -0.393 0 C-N-CA 124.748 1.219 . . . . 0.0 110.757 178.828 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . 83.8 9.08 83.45 Favored Glycine 0 C--N 1.312 -0.758 0 CA-C-N 114.95 -1.023 . . . . 0.0 112.336 -178.089 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 55' ' ' HIS . . . . . . . . . . . . . 87.4 m-70 -108.88 130.94 55.43 Favored 'General case' 0 C--N 1.319 -0.73 0 N-CA-C 107.382 -1.34 . . . . 0.0 107.382 177.859 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 9.4 mp0 -98.18 117.05 31.69 Favored 'General case' 0 N--CA 1.434 -1.26 0 N-CA-C 108.997 -0.742 . . . . 0.0 108.997 176.292 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 57' ' ' PHE . . . . . . . . . . . . . 84.7 m-85 -98.35 98.12 9.4 Favored 'General case' 0 N--CA 1.413 -2.304 0 N-CA-C 103.431 -2.803 . . . . 0.0 103.431 175.972 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 28.5 tt0 -92.45 110.37 21.77 Favored 'General case' 0 C--N 1.299 -1.597 0 N-CA-C 105.819 -1.919 . . . . 0.0 105.819 -177.909 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 59' ' ' VAL . . . . . 0.673 HG12 HD13 ' A' ' 70' ' ' LEU . 35.4 m -109.77 167.97 4.21 Favored 'Isoleucine or valine' 0 C--N 1.293 -1.867 0 CA-C-N 114.348 -1.296 . . . . 0.0 109.862 -174.852 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 60' ' ' GLU . . . . . 0.432 ' HA ' ' HA ' ' A' ' 47' ' ' THR . 37.6 tt0 -132.25 124.0 28.06 Favored 'General case' 0 C--N 1.286 -2.152 0 N-CA-C 103.247 -2.871 . . . . 0.0 103.247 169.555 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -76.92 89.58 3.51 Favored 'General case' 0 C--N 1.304 -1.409 0 N-CA-C 107.036 -1.468 . . . . 0.0 107.036 177.515 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 29.7 mmmt -68.05 -54.88 15.05 Favored 'General case' 0 C--N 1.318 -0.788 0 CA-C-N 114.237 -1.347 . . . . 0.0 111.212 -174.644 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 28.2 t70 -135.66 161.15 36.35 Favored 'General case' 0 C--N 1.308 -1.227 0 CA-C-N 114.94 -1.027 . . . . 0.0 109.284 -173.643 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 64' ' ' GLN . . . . . 0.414 ' HG2' HG13 ' A' ' 44' ' ' ILE . 23.2 mt-30 -78.68 3.15 17.23 Favored 'General case' 0 N--CA 1.446 -0.639 0 N-CA-C 113.191 0.812 . . . . 0.0 113.191 -173.453 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 65' ' ' ASN . . . . . . . . . . . . . 5.6 m-20 -73.07 -23.8 60.6 Favored 'General case' 0 CA--C 1.515 -0.403 0 N-CA-C 108.306 -0.998 . . . . 0.0 108.306 170.196 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 66' ' ' CYS . . . . . 0.472 ' O ' ' HB3' ' A' ' 82' ' ' ALA . 88.9 m 64.79 35.24 8.81 Favored 'General case' 0 CA--C 1.513 -0.476 0 N-CA-C 114.727 1.38 . . . . 0.0 114.727 176.269 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 67' ' ' LYS . . . . . 0.522 ' HA ' ' HE3' ' A' ' 67' ' ' LYS . 0.1 OUTLIER -64.8 133.8 52.75 Favored 'General case' 0 N--CA 1.422 -1.867 0 N-CA-C 105.659 -1.978 . . . . 0.0 105.659 171.015 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 68' ' ' VAL . . . . . 0.411 HG21 HD23 ' A' ' 80' ' ' LEU . 5.9 p -72.34 99.74 0.95 Allowed 'Isoleucine or valine' 0 C--N 1.303 -1.431 0 CA-C-O 122.48 1.133 . . . . 0.0 110.605 -179.451 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 69' ' ' ILE . . . . . . . . . . . . . 99.0 mt -115.39 118.9 60.27 Favored 'Isoleucine or valine' 0 N--CA 1.43 -1.439 0 N-CA-C 106.882 -1.525 . . . . 0.0 106.882 -179.477 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 70' ' ' LEU . . . . . 0.788 HD21 ' HB2' ' A' ' 76' ' ' ALA . 2.8 mm? -81.88 140.75 33.92 Favored 'General case' 0 N--CA 1.416 -2.154 0 CA-C-N 114.574 -1.193 . . . . 0.0 109.48 -178.556 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 71' ' ' THR . . . . . . . . . . . . . 13.1 t -83.27 -2.9 56.76 Favored 'General case' 0 C--N 1.279 -2.484 0 CA-C-N 113.351 -1.75 . . . . 0.0 109.297 -175.531 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 72' ' ' ASN . . . . . . . . . . . . . 31.4 m120 -90.37 -11.67 39.91 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 114.887 -1.051 . . . . 0.0 109.744 177.264 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 73' ' ' GLY . . . . . . . . . . . . . . . 91.89 31.14 9.51 Favored Glycine 0 CA--C 1.504 -0.639 0 N-CA-C 110.161 -1.176 . . . . 0.0 110.161 -179.336 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 71.7 mmtt -111.11 166.19 11.27 Favored 'General case' 0 N--CA 1.434 -1.255 0 CA-C-N 114.159 -1.021 . . . . 0.0 109.492 -177.252 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 75' ' ' GLN . . . . . . . . . . . . . 34.2 tt0 -112.35 137.14 50.92 Favored 'General case' 0 C--N 1.299 -1.594 0 N-CA-C 104.997 -2.223 . . . . 0.0 104.997 169.542 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 76' ' ' ALA . . . . . 0.788 ' HB2' HD21 ' A' ' 70' ' ' LEU . . . -93.89 163.42 23.94 Favored Pre-proline 0 C--N 1.307 -1.277 0 N-CA-C 109.935 -0.395 . . . . 0.0 109.935 -177.81 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 77' ' ' PRO . . . . . . . . . . . . . 8.9 Cg_endo -52.66 152.1 17.55 Favored 'Trans proline' 0 C--N 1.353 0.775 0 C-N-CA 123.578 2.852 . . . . 0.0 112.274 174.445 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 78' ' ' ASP . . . . . . . . . . . . . 22.0 t0 -70.12 -12.65 61.75 Favored 'General case' 0 C--N 1.309 -1.185 0 C-N-CA 124.646 1.178 . . . . 0.0 111.615 -174.589 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 79' ' ' TRP . . . . . . . . . . . . . 54.8 p-90 -91.63 -8.42 47.27 Favored 'General case' 0 C--O 1.227 -0.124 0 CA-C-N 115.951 -0.568 . . . . 0.0 111.346 177.396 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 80' ' ' LEU . . . . . 0.456 HD23 ' HB1' ' A' ' 76' ' ' ALA . 32.1 tp -88.81 111.44 22.03 Favored 'General case' 0 C--N 1.308 -1.205 0 N-CA-C 108.058 -1.089 . . . . 0.0 108.058 -178.932 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -117.07 164.25 15.03 Favored 'General case' 0 C--N 1.306 -1.305 0 CA-C-O 121.693 0.759 . . . . 0.0 111.318 -177.401 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 82' ' ' ALA . . . . . 0.564 ' HA ' ' O ' ' A' ' 26' ' ' VAL . . . -154.45 139.31 17.18 Favored 'General case' 0 C--N 1.298 -1.655 0 N-CA-C 106.671 -1.603 . . . . 0.0 106.671 174.883 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 7.7 pt-20 -140.92 154.14 68.19 Favored Pre-proline 0 C--N 1.301 -1.506 0 N-CA-C 106.197 -1.779 . . . . 0.0 106.197 178.404 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 84' ' ' PRO . . . . . 0.697 ' HA ' ' O ' ' A' ' 24' ' ' SER . 95.5 Cg_endo -69.94 139.36 39.41 Favored 'Trans proline' 0 N--CA 1.447 -1.215 0 C-N-CA 121.478 1.452 . . . . 0.0 109.626 175.858 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 85' ' ' TYR . . . . . 0.401 ' CB ' HG21 ' A' ' 26' ' ' VAL 0.262 0.7 OUTLIER . . . . . 0 C--N 1.318 -0.781 0 CA-C-O 117.958 -1.02 . . . . 0.0 113.594 -173.939 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 7.7 p . . . . . 0 C--O 1.236 0.391 0 N-CA-C 108.999 -0.741 . . . . 0.0 108.999 . . . . . . . . . 0 0 . 1 . 005 nuclear build full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . -123.23 143.16 14.95 Favored Glycine 0 N--CA 1.431 -1.641 0 N-CA-C 111.247 -0.741 . . . . 0.0 111.247 -178.708 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 21.9 mtm180 -118.69 159.64 23.27 Favored 'General case' 0 C--N 1.3 -1.554 0 N-CA-C 108.006 -1.109 . . . . 0.0 108.006 177.429 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 15.8 mp0 -57.11 121.51 10.21 Favored 'General case' 0 C--N 1.307 -1.243 0 O-C-N 124.356 1.035 . . . . 0.0 110.616 -178.016 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 11' ' ' ASN . . . . . . . . . . . . . 46.6 t-20 -78.95 175.9 10.13 Favored 'General case' 0 C--N 1.311 -1.074 0 N-CA-C 107.03 -1.47 . . . . 0.0 107.03 -179.226 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 83.4 mt -68.26 153.45 43.72 Favored 'General case' 0 C--N 1.303 -1.442 0 CA-C-O 122.142 0.972 . . . . 0.0 111.326 -179.963 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 13' ' ' TYR . . . . . . . . . . . . . 94.8 m-85 -81.83 169.97 16.24 Favored 'General case' 0 C--N 1.288 -2.086 0 CA-C-N 112.935 -1.939 . . . . 0.0 110.534 -174.824 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 14' ' ' PHE . . . . . . . . . . . . . 96.9 m-85 -82.19 123.84 29.36 Favored 'General case' 0 C--N 1.306 -1.318 0 CA-C-O 121.634 0.731 . . . . 0.0 110.466 -176.245 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 3.1 pm0 -88.36 -179.0 6.02 Favored 'General case' 0 C--N 1.305 -1.332 0 CA-C-N 114.244 -1.343 . . . . 0.0 107.715 -179.665 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . -58.4 122.97 31.69 Favored Glycine 0 N--CA 1.445 -0.734 0 N-CA-C 109.902 -1.279 . . . . 0.0 109.902 174.174 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 17' ' ' HIS . . . . . . . . . . . . . 52.7 t-80 -73.75 157.65 36.08 Favored 'General case' 0 C--N 1.309 -1.154 0 N-CA-C 108.825 -0.806 . . . . 0.0 108.825 -176.821 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 18' ' ' MET . . . . . . . . . . . . . 2.1 tmt? -60.65 130.44 46.53 Favored 'General case' 0 C--N 1.313 -0.982 0 C-N-CA 122.88 0.472 . . . . 0.0 109.914 177.33 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -54.87 135.91 47.54 Favored 'General case' 0 CA--C 1.513 -0.478 0 C-N-CA 124.82 1.248 . . . . 0.0 111.14 -177.018 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -53.51 130.78 54.15 Favored Pre-proline 0 C--N 1.314 -0.972 0 O-C-N 124.505 1.128 . . . . 0.0 112.682 -175.442 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 21' ' ' PRO . . . . . 0.427 ' HG2' ' HB2' ' A' ' 64' ' ' GLN . 35.3 Cg_exo -62.63 150.02 89.21 Favored 'Trans proline' 0 C--O 1.243 0.751 0 C-N-CA 122.848 2.366 . . . . 0.0 111.217 175.742 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -75.51 25.7 0.11 Allowed 'General case' 0 N--CA 1.47 0.559 0 N-CA-C 115.048 1.499 . . . . 0.0 115.048 -176.063 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 23' ' ' ARG . . . . . 0.53 ' C ' HG12 ' A' ' 44' ' ' ILE . 78.2 mtt180 53.12 32.9 13.93 Favored 'General case' 0 C--N 1.312 -1.055 0 CA-C-O 121.746 0.784 . . . . 0.0 112.117 -178.701 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 24' ' ' SER . . . . . 0.653 ' O ' ' HA ' ' A' ' 84' ' ' PRO . 20.0 m -145.23 139.16 26.97 Favored 'General case' 0 N--CA 1.438 -1.043 0 CA-C-N 115.608 -0.724 . . . . 0.0 109.297 -177.436 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 25' ' ' CYS . . . . . 0.618 ' SG ' HD13 ' A' ' 44' ' ' ILE . 69.4 m -107.3 130.81 54.72 Favored 'General case' 0 CA--C 1.492 -1.275 0 N-CA-C 104.068 -2.567 . . . . 0.0 104.068 173.435 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 26' ' ' VAL . . . . . 0.564 HG21 ' HB2' ' A' ' 85' ' ' TYR . 2.9 t -114.47 121.49 66.69 Favored 'Isoleucine or valine' 0 C--N 1.282 -2.35 0 N-CA-C 106.483 -1.673 . . . . 0.0 106.483 -173.913 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 27' ' ' TYR . . . . . . . . . . . . . 14.9 m-85 -92.4 132.06 37.06 Favored 'General case' 0 C--N 1.302 -1.496 0 O-C-N 124.234 0.959 . . . . 0.0 110.67 -174.978 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 28' ' ' TYR . . . . . 0.654 ' HB3' ' HB2' ' A' ' 36' ' ' ARG . 97.8 m-85 -132.64 155.12 49.33 Favored 'General case' 0 N--CA 1.408 -2.539 0 CA-C-N 114.291 -1.322 . . . . 0.0 110.966 -177.708 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 29' ' ' ASP . . . . . 0.422 ' HB3' ' HB ' ' A' ' 37' ' ' VAL . 4.8 t70 -104.08 103.24 13.02 Favored 'General case' 0 C--N 1.295 -1.804 0 N-CA-C 105.68 -1.971 . . . . 0.0 105.68 173.703 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . -171.32 129.79 1.84 Allowed Glycine 0 CA--C 1.492 -1.346 0 C-N-CA 119.779 -1.2 . . . . 0.0 113.705 178.062 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 31' ' ' HIS . . . . . . . . . . . . . 0.4 OUTLIER -81.39 -12.89 58.82 Favored 'General case' 0 C--N 1.296 -1.747 0 CA-C-N 114.151 -1.025 . . . . 0.0 110.745 178.705 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 10.6 mp -131.14 152.11 80.06 Favored Pre-proline 0 C--N 1.32 -0.678 0 N-CA-C 106.362 -1.718 . . . . 0.0 106.362 174.96 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 33' ' ' PRO . . . . . 0.472 ' O ' ' HG3' ' A' ' 36' ' ' ARG . 31.6 Cg_endo -67.32 -18.19 49.97 Favored 'Trans proline' 0 CA--C 1.532 0.393 0 C-N-CA 122.02 1.814 . . . . 0.0 110.585 175.497 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -74.87 -49.49 20.27 Favored 'General case' 0 N--CA 1.447 -0.618 0 CA-C-N 115.642 -0.708 . . . . 0.0 110.826 179.122 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 7.6 p -93.21 20.95 6.38 Favored 'General case' 0 C--N 1.315 -0.93 0 N-CA-C 113.607 0.965 . . . . 0.0 113.607 -172.805 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 36' ' ' ARG . . . . . 0.654 ' HB2' ' HB3' ' A' ' 28' ' ' TYR 0.287 1.3 ppt_? -72.91 133.04 44.21 Favored 'General case' 0 N--CA 1.44 -0.954 0 N-CA-C 113.503 0.927 . . . . 0.0 113.503 179.497 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 37' ' ' VAL . . . . . 0.422 ' HB ' ' HB3' ' A' ' 29' ' ' ASP . 54.9 t -105.39 133.45 49.63 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.776 0 N-CA-C 108.111 -1.07 . . . . 0.0 108.111 -177.066 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 2.0 tm? -68.59 114.76 7.26 Favored 'General case' 0 C--N 1.315 -0.908 0 C-N-CA 123.404 0.682 . . . . 0.0 109.371 -178.005 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 96.1 mt -91.25 -59.99 2.01 Favored 'General case' 0 C--N 1.311 -1.099 0 CA-C-N 115.597 -0.729 . . . . 0.0 109.998 176.059 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 40' ' ' MET . . . . . . . . . . . . . 24.5 ptm -172.82 164.8 5.22 Favored 'General case' 0 N--CA 1.466 0.351 0 CA-C-N 115.368 -0.833 . . . . 0.0 111.506 -177.448 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 41' ' ' TYR . . . . . . . . . . . . . 39.2 m-85 -103.85 142.75 33.85 Favored 'General case' 0 C--N 1.309 -1.173 0 CA-C-N 114.781 -1.099 . . . . 0.0 110.161 177.957 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 33.3 t -128.75 130.11 68.62 Favored 'Isoleucine or valine' 0 C--N 1.307 -1.248 0 N-CA-C 106.387 -1.709 . . . . 0.0 106.387 174.439 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 23.2 tpp180 -74.37 134.27 42.47 Favored 'General case' 0 C--N 1.299 -1.606 0 N-CA-C 106.059 -1.83 . . . . 0.0 106.059 178.447 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 44' ' ' ILE . . . . . 0.618 HD13 ' SG ' ' A' ' 25' ' ' CYS . 14.8 mm -49.83 120.93 1.15 Allowed 'Isoleucine or valine' 0 N--CA 1.493 1.683 0 CA-C-O 121.091 0.472 . . . . 0.0 110.314 178.702 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . 113.42 -7.86 24.56 Favored Glycine 0 C--N 1.307 -1.067 0 CA-C-N 115.361 -0.836 . . . . 0.0 111.698 175.391 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 46' ' ' ASN . . . . . . . . . . . . . 59.6 t30 -110.93 163.49 13.76 Favored 'General case' 0 C--N 1.307 -1.241 0 CA-C-O 121.974 0.892 . . . . 0.0 111.822 -176.312 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 11.1 p -100.78 159.86 14.84 Favored 'General case' 0 C--N 1.294 -1.816 0 CA-C-N 114.398 -1.274 . . . . 0.0 109.246 177.953 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -155.91 151.82 27.52 Favored 'General case' 0 C--N 1.301 -1.524 0 CA-C-N 115.77 -0.65 . . . . 0.0 111.766 179.512 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 11.0 m -106.6 109.24 21.1 Favored 'General case' 0 C--N 1.304 -1.399 0 N-CA-C 106.988 -1.486 . . . . 0.0 106.988 175.429 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 50' ' ' ILE . . . . . 0.426 ' O ' ' HA ' ' A' ' 56' ' ' GLU . 12.2 mm -96.04 117.74 40.89 Favored 'Isoleucine or valine' 0 C--N 1.312 -1.034 0 N-CA-C 108.636 -0.876 . . . . 0.0 108.636 -174.359 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 33.0 m -97.12 123.62 40.93 Favored 'General case' 0 C--N 1.291 -1.978 0 N-CA-C 106.861 -1.533 . . . . 0.0 106.861 172.812 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -150.46 126.61 10.59 Favored 'General case' 0 C--N 1.31 -1.121 0 N-CA-C 108.769 -0.826 . . . . 0.0 108.769 179.502 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 53' ' ' ARG . . . . . . . . . . . . . 82.2 mtt180 59.06 30.62 20.47 Favored 'General case' 0 C--N 1.322 -0.587 0 C-N-CA 125.138 1.375 . . . . 0.0 112.035 178.205 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . 76.09 31.84 54.21 Favored Glycine 0 N--CA 1.437 -1.238 0 CA-C-N 114.82 -1.082 . . . . 0.0 111.792 -179.858 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 55' ' ' HIS . . . . . . . . . . . . . 67.2 m-70 -133.96 130.23 37.37 Favored 'General case' 0 C--N 1.314 -0.976 0 N-CA-C 108.738 -0.838 . . . . 0.0 108.738 174.225 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 56' ' ' GLU . . . . . 0.426 ' HA ' ' O ' ' A' ' 50' ' ' ILE . 3.4 mp0 -95.1 124.16 38.99 Favored 'General case' 0 N--CA 1.441 -0.882 0 N-CA-C 108.766 -0.828 . . . . 0.0 108.766 171.399 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 57' ' ' PHE . . . . . 0.532 ' HB3' HD11 ' A' ' 70' ' ' LEU . 93.4 m-85 -114.39 117.83 32.13 Favored 'General case' 0 N--CA 1.435 -1.196 0 N-CA-C 107.459 -1.311 . . . . 0.0 107.459 179.801 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 39.1 tt0 -95.16 121.26 36.61 Favored 'General case' 0 C--N 1.305 -1.366 0 N-CA-C 106.4 -1.704 . . . . 0.0 106.4 177.721 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 59' ' ' VAL . . . . . 0.569 HG12 HD13 ' A' ' 70' ' ' LEU . 18.9 m -122.66 171.2 11.95 Favored 'Isoleucine or valine' 0 C--N 1.294 -1.809 0 C-N-CA 124.424 1.09 . . . . 0.0 110.046 -175.085 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 39.4 tt0 -131.11 112.35 12.79 Favored 'General case' 0 C--N 1.292 -1.893 0 N-CA-C 105.674 -1.973 . . . . 0.0 105.674 175.543 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 61' ' ' ALA . . . . . 0.404 ' HB1' ' SG ' ' A' ' 25' ' ' CYS . . . -79.33 89.3 4.95 Favored 'General case' 0 C--N 1.315 -0.902 0 N-CA-C 105.838 -1.912 . . . . 0.0 105.838 177.781 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 62' ' ' LYS . . . . . 0.432 ' HG3' ' N ' ' A' ' 63' ' ' ASP . 53.1 pttt -65.91 -55.77 15.2 Favored 'General case' 0 C--N 1.307 -1.275 0 N-CA-C 114.382 1.253 . . . . 0.0 114.382 -173.498 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 63' ' ' ASP . . . . . 0.432 ' N ' ' HG3' ' A' ' 62' ' ' LYS . 3.4 p30 -150.85 -179.7 7.5 Favored 'General case' 0 C--N 1.305 -1.339 0 N-CA-C 109.06 -0.718 . . . . 0.0 109.06 -173.184 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 64' ' ' GLN . . . . . 0.427 ' HB2' ' HG2' ' A' ' 21' ' ' PRO . 2.9 pp0? -63.43 -7.18 6.03 Favored 'General case' 0 C--N 1.318 -0.777 0 N-CA-C 116.142 1.904 . . . . 0.0 116.142 -177.074 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 65' ' ' ASN . . . . . . . . . . . . . 28.2 t-20 -74.05 -26.71 60.56 Favored 'General case' 0 C--N 1.321 -0.651 0 N-CA-C 108.153 -1.055 . . . . 0.0 108.153 172.052 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 66' ' ' CYS . . . . . 0.497 ' O ' ' HB3' ' A' ' 82' ' ' ALA . 93.3 m 52.63 41.95 31.42 Favored 'General case' 0 CA--C 1.519 -0.22 0 C-N-CA 124.78 1.232 . . . . 0.0 113.855 177.534 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 67' ' ' LYS . . . . . 0.594 ' HA ' ' HE3' ' A' ' 67' ' ' LYS . 0.0 OUTLIER -72.28 132.68 44.36 Favored 'General case' 0 N--CA 1.416 -2.17 0 N-CA-C 108.042 -1.096 . . . . 0.0 108.042 176.15 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 68' ' ' VAL . . . . . 0.409 HG21 HD23 ' A' ' 80' ' ' LEU . 3.3 p -69.36 99.68 0.56 Allowed 'Isoleucine or valine' 0 C--N 1.307 -1.263 0 CA-C-O 122.263 1.03 . . . . 0.0 109.541 177.163 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 69' ' ' ILE . . . . . . . . . . . . . 90.8 mt -117.34 119.35 61.55 Favored 'Isoleucine or valine' 0 C--N 1.302 -1.496 0 N-CA-C 107.286 -1.376 . . . . 0.0 107.286 178.076 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 70' ' ' LEU . . . . . 0.771 HD21 ' HB2' ' A' ' 76' ' ' ALA . 2.7 mm? -81.34 144.32 31.57 Favored 'General case' 0 CA--C 1.475 -1.922 0 CA-C-N 114.622 -1.172 . . . . 0.0 111.346 -177.678 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 71' ' ' THR . . . . . . . . . . . . . 69.2 p -72.53 -19.93 61.43 Favored 'General case' 0 C--N 1.285 -2.203 0 CA-C-N 112.358 -2.201 . . . . 0.0 109.305 179.221 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 72' ' ' ASN . . . . . . . . . . . . . 2.3 m-20 -79.36 -5.54 54.8 Favored 'General case' 0 C--N 1.325 -0.5 0 CA-C-N 113.584 -1.644 . . . . 0.0 109.422 -175.803 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 73' ' ' GLY . . . . . . . . . . . . . . . 78.85 20.89 69.68 Favored Glycine 0 CA--C 1.501 -0.81 0 N-CA-C 108.769 -1.732 . . . . 0.0 108.769 178.25 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 44.2 mmtm -106.66 165.2 11.48 Favored 'General case' 0 N--CA 1.423 -1.782 0 CA-C-N 112.803 -1.699 . . . . 0.0 110.296 -174.688 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 75' ' ' GLN . . . . . . . . . . . . . 95.9 mt-30 -107.43 149.42 27.93 Favored 'General case' 0 C--N 1.295 -1.792 0 N-CA-C 107.025 -1.472 . . . . 0.0 107.025 172.841 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 76' ' ' ALA . . . . . 0.771 ' HB2' HD21 ' A' ' 70' ' ' LEU . . . -108.0 158.36 33.77 Favored Pre-proline 0 C--N 1.3 -1.55 0 N-CA-C 107.902 -1.147 . . . . 0.0 107.902 -179.052 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 77' ' ' PRO . . . . . . . . . . . . . 51.5 Cg_exo -56.82 154.03 34.14 Favored 'Trans proline' 0 C--N 1.346 0.425 0 C-N-CA 122.895 2.397 . . . . 0.0 112.874 177.123 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 78' ' ' ASP . . . . . . . . . . . . . 4.4 m-20 -57.64 -26.2 61.26 Favored 'General case' 0 N--CA 1.477 0.91 0 C-N-CA 124.279 1.031 . . . . 0.0 112.515 -176.679 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 79' ' ' TRP . . . . . . . . . . . . . 58.1 p-90 -76.25 -18.46 58.99 Favored 'General case' 0 N--CA 1.448 -0.526 0 CA-C-N 115.988 -0.551 . . . . 0.0 112.236 -179.79 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 80' ' ' LEU . . . . . 0.409 HD23 HG21 ' A' ' 68' ' ' VAL . 36.8 tp -80.72 111.15 16.9 Favored 'General case' 0 N--CA 1.431 -1.408 0 N-CA-C 106.967 -1.494 . . . . 0.0 106.967 -179.447 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -119.83 161.19 21.22 Favored 'General case' 0 C--N 1.303 -1.449 0 CA-C-N 115.089 -0.959 . . . . 0.0 111.553 -174.312 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 82' ' ' ALA . . . . . 0.527 ' HA ' ' O ' ' A' ' 26' ' ' VAL . . . -150.97 134.01 15.95 Favored 'General case' 0 C--N 1.3 -1.555 0 N-CA-C 107.112 -1.44 . . . . 0.0 107.112 174.39 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 8.8 pt-20 -146.91 143.09 17.86 Favored Pre-proline 0 N--CA 1.425 -1.688 0 N-CA-C 105.734 -1.95 . . . . 0.0 105.734 179.61 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 84' ' ' PRO . . . . . 0.653 ' HA ' ' O ' ' A' ' 24' ' ' SER . 14.8 Cg_exo -64.73 143.4 80.46 Favored 'Trans proline' 0 N--CA 1.45 -1.06 0 C-N-CA 122.882 2.388 . . . . 0.0 111.57 175.676 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 85' ' ' TYR . . . . . 0.564 ' HB2' HG21 ' A' ' 26' ' ' VAL . 0.1 OUTLIER . . . . . 0 C--O 1.27 2.148 0 CA-C-N 112.891 -1.959 . . . . 0.0 106.152 175.979 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 14.7 m . . . . . 0 C--O 1.237 0.415 0 N-CA-C 107.546 -1.279 . . . . 0.0 107.546 . . . . . . . . . 0 0 . 1 . 006 nuclear build full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . -146.33 106.38 0.37 Allowed Glycine 0 N--CA 1.439 -1.133 0 C-N-CA 119.485 -1.341 . . . . 0.0 112.423 178.76 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 9' ' ' ARG . . . . . 0.4 HH11 ' HD2' ' A' ' 9' ' ' ARG . 0.0 OUTLIER -132.66 96.27 3.78 Favored 'General case' 0 C--N 1.304 -1.395 0 N-CA-C 105.098 -2.186 . . . . 0.0 105.098 173.297 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 13.5 pt-20 -95.18 107.84 19.94 Favored 'General case' 0 C--N 1.302 -1.479 0 CA-C-O 122.548 1.166 . . . . 0.0 110.929 -176.747 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 11' ' ' ASN . . . . . . . . . . . . . 9.7 m120 -99.63 -179.56 4.23 Favored 'General case' 0 C--N 1.304 -1.383 0 N-CA-C 105.215 -2.143 . . . . 0.0 105.215 179.391 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 12' ' ' LEU . . . . . 0.435 HD23 ' H ' ' A' ' 12' ' ' LEU . 2.1 pt? -67.9 122.83 19.0 Favored 'General case' 0 C--N 1.32 -0.705 0 N-CA-C 104.669 -2.345 . . . . 0.0 104.669 171.047 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 13' ' ' TYR . . . . . . . . . . . . . 2.8 t80 -92.8 129.05 38.85 Favored 'General case' 0 C--N 1.304 -1.399 0 C-N-CA 118.417 -1.313 . . . . 0.0 109.545 -172.318 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 14' ' ' PHE . . . . . . . . . . . . . 80.6 m-85 -87.99 160.14 18.01 Favored 'General case' 0 C--N 1.309 -1.177 0 CA-C-N 115.611 -0.722 . . . . 0.0 109.558 -178.724 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 76.3 mt-30 -80.67 115.76 20.34 Favored 'General case' 0 C--N 1.311 -1.082 0 N-CA-C 114.798 1.407 . . . . 0.0 114.798 -173.413 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . -150.48 173.72 30.02 Favored Glycine 0 N--CA 1.431 -1.65 0 N-CA-C 103.497 -3.841 . . . . 0.0 103.497 174.423 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 17' ' ' HIS . . . . . . . . . . . . . 90.5 m-70 -81.36 96.6 7.38 Favored 'General case' 0 C--N 1.304 -1.389 0 CA-C-N 120.6 2.2 . . . . 0.0 110.248 177.48 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 18' ' ' MET . . . . . . . . . . . . . 4.1 ppp? -113.32 -178.81 3.47 Favored 'General case' 0 C--N 1.297 -1.689 0 CA-C-N 113.314 -1.766 . . . . 0.0 111.084 -171.768 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 19' ' ' ALA . . . . . 0.534 ' HB1' ' HD2' ' A' ' 84' ' ' PRO . . . -69.77 89.79 0.57 Allowed 'General case' 0 C--N 1.314 -0.945 0 CA-C-N 115.549 -0.751 . . . . 0.0 109.522 177.727 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 20' ' ' ALA . . . . . 0.416 ' HA ' ' HD3' ' A' ' 21' ' ' PRO . . . -77.07 122.2 85.94 Favored Pre-proline 0 C--N 1.318 -0.788 0 CA-C-N 115.825 -0.625 . . . . 0.0 111.849 -173.87 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 21' ' ' PRO . . . . . 0.441 ' HB3' ' OE1' ' A' ' 64' ' ' GLN . 64.2 Cg_exo -56.83 114.5 1.95 Allowed 'Trans proline' 0 C--N 1.349 0.588 0 C-N-CA 123.392 2.728 . . . . 0.0 111.535 178.144 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -137.41 20.16 2.93 Favored 'General case' 0 C--N 1.313 -1.002 0 CA-C-O 121.502 0.668 . . . . 0.0 111.841 -177.28 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 23' ' ' ARG . . . . . 0.599 ' C ' HG12 ' A' ' 44' ' ' ILE . 3.0 mtm180 61.95 23.24 13.65 Favored 'General case' 0 C--N 1.317 -0.808 0 N-CA-C 115.209 1.559 . . . . 0.0 115.209 177.988 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 24' ' ' SER . . . . . 0.799 ' O ' ' HA ' ' A' ' 84' ' ' PRO . 69.7 m -144.15 141.37 29.93 Favored 'General case' 0 C--N 1.303 -1.446 0 N-CA-C 107.466 -1.309 . . . . 0.0 107.466 174.562 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 25' ' ' CYS . . . . . . . . . . . . . 69.3 m -107.14 130.72 54.66 Favored 'General case' 0 CA--C 1.495 -1.173 0 N-CA-C 106.783 -1.562 . . . . 0.0 106.783 177.912 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 26' ' ' VAL . . . . . 0.602 ' O ' ' HA ' ' A' ' 82' ' ' ALA . 3.4 t -112.53 120.19 62.11 Favored 'Isoleucine or valine' 0 C--N 1.284 -2.258 0 N-CA-C 107.052 -1.462 . . . . 0.0 107.052 -175.524 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 27' ' ' TYR . . . . . . . . . . . . . 38.6 m-85 -93.17 125.68 37.89 Favored 'General case' 0 N--CA 1.423 -1.812 0 O-C-N 124.313 1.008 . . . . 0.0 108.833 -176.059 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 28' ' ' TYR . . . . . 0.402 ' CG ' ' HB2' ' A' ' 36' ' ' ARG . 81.6 m-85 -124.05 145.63 49.1 Favored 'General case' 0 N--CA 1.416 -2.155 0 CA-C-N 113.836 -1.529 . . . . 0.0 110.07 -176.115 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 29' ' ' ASP . . . . . 0.439 ' HB3' ' HB ' ' A' ' 37' ' ' VAL . 5.0 t70 -87.51 105.63 17.44 Favored 'General case' 0 C--N 1.292 -1.91 0 N-CA-C 103.708 -2.701 . . . . 0.0 103.708 170.697 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . -164.31 140.74 6.63 Favored Glycine 0 N--CA 1.43 -1.719 0 C-N-CA 118.79 -1.671 . . . . 0.0 113.54 -178.151 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 31' ' ' HIS . . . . . . . . . . . . . 81.5 m-70 -90.4 -40.1 12.26 Favored 'General case' 0 C--N 1.296 -1.751 0 N-CA-C 106.598 -1.63 . . . . 0.0 106.598 178.562 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 2.9 mm? -124.61 157.67 64.77 Favored Pre-proline 0 N--CA 1.44 -0.935 0 N-CA-C 107.072 -1.455 . . . . 0.0 107.072 175.689 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 33' ' ' PRO . . . . . 0.416 ' O ' ' HG2' ' A' ' 36' ' ' ARG . 8.2 Cg_endo -56.38 -24.05 49.94 Favored 'Trans proline' 0 CA--C 1.538 0.694 0 C-N-CA 122.632 2.221 . . . . 0.0 112.566 174.899 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -78.84 -17.86 54.96 Favored 'General case' 0 C--N 1.327 -0.384 0 O-C-N 121.679 -0.638 . . . . 0.0 111.976 177.247 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 74.1 p -103.53 5.7 36.91 Favored 'General case' 0 C--N 1.322 -0.601 0 O-C-N 122.122 -0.361 . . . . 0.0 111.659 -175.6 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 36' ' ' ARG . . . . . 0.416 ' HG2' ' O ' ' A' ' 33' ' ' PRO . 36.1 ptt180 -61.91 125.37 23.59 Favored 'General case' 0 C--N 1.33 -0.28 0 N-CA-C 112.628 0.603 . . . . 0.0 112.628 -175.814 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 37' ' ' VAL . . . . . 0.439 ' HB ' ' HB3' ' A' ' 29' ' ' ASP . 47.8 t -115.44 122.54 69.53 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.841 0 N-CA-C 106.914 -1.513 . . . . 0.0 106.914 175.325 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 56.3 tp -60.29 116.48 4.28 Favored 'General case' 0 C--N 1.317 -0.844 0 N-CA-C 113.604 0.964 . . . . 0.0 113.604 -179.066 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 88.4 mt -92.95 -54.61 3.67 Favored 'General case' 0 C--N 1.304 -1.404 0 CA-C-N 114.726 -1.125 . . . . 0.0 110.66 174.44 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 40' ' ' MET . . . . . 0.418 ' HB3' HD12 ' A' ' 50' ' ' ILE . 51.0 tpp -165.69 148.9 7.78 Favored 'General case' 0 C--N 1.326 -0.442 0 CA-C-N 115.252 -0.885 . . . . 0.0 111.34 -171.294 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 41' ' ' TYR . . . . . . . . . . . . . 82.5 m-85 -101.24 124.56 47.13 Favored 'General case' 0 C--N 1.323 -0.557 0 N-CA-C 107.778 -1.193 . . . . 0.0 107.778 172.571 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 46.2 t -117.08 137.86 49.6 Favored 'Isoleucine or valine' 0 C--N 1.312 -1.057 0 N-CA-C 107.772 -1.196 . . . . 0.0 107.772 179.728 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 31.1 tpt180 -88.79 140.45 29.43 Favored 'General case' 0 C--N 1.293 -1.885 0 N-CA-C 106.785 -1.561 . . . . 0.0 106.785 178.755 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 44' ' ' ILE . . . . . 0.599 HG12 ' C ' ' A' ' 23' ' ' ARG . 30.7 mm -57.4 129.72 19.53 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.823 0 CA-C-O 121.626 0.727 . . . . 0.0 109.74 179.241 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . 104.83 -14.4 49.4 Favored Glycine 0 C--N 1.3 -1.456 0 CA-C-N 114.543 -1.208 . . . . 0.0 111.309 174.901 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 46' ' ' ASN . . . . . . . . . . . . . 48.5 t30 -105.93 162.87 13.2 Favored 'General case' 0 C--N 1.305 -1.333 0 CA-C-O 121.645 0.736 . . . . 0.0 110.0 -177.242 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 21.8 p -110.32 151.77 27.01 Favored 'General case' 0 C--N 1.291 -1.942 0 CA-C-N 114.33 -1.305 . . . . 0.0 109.577 177.952 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -152.04 131.6 13.05 Favored 'General case' 0 C--N 1.303 -1.422 0 N-CA-C 114.854 1.427 . . . . 0.0 114.854 -177.691 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 2.8 m -70.16 108.73 4.26 Favored 'General case' 0 C--N 1.312 -1.041 0 C-N-CA 125.347 1.459 . . . . 0.0 109.762 174.527 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 50' ' ' ILE . . . . . 0.418 HD12 ' HB3' ' A' ' 40' ' ' MET . 26.6 mm -100.54 109.25 24.76 Favored 'Isoleucine or valine' 0 C--N 1.31 -1.109 0 N-CA-C 107.956 -1.127 . . . . 0.0 107.956 177.371 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 76.1 m -91.82 123.36 35.15 Favored 'General case' 0 C--N 1.294 -1.814 0 C-N-CA 117.964 -1.494 . . . . 0.0 107.506 174.261 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -150.92 125.86 9.79 Favored 'General case' 0 C--N 1.315 -0.9 0 N-CA-C 107.98 -1.118 . . . . 0.0 107.98 176.963 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 53' ' ' ARG . . . . . . . . . . . . . 83.8 mtt180 65.83 21.7 11.46 Favored 'General case' 0 N--CA 1.472 0.659 0 C-N-CA 125.057 1.343 . . . . 0.0 110.743 179.365 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . 84.05 13.72 73.84 Favored Glycine 0 C--N 1.308 -0.986 0 CA-C-N 114.723 -1.126 . . . . 0.0 111.813 -178.321 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 55' ' ' HIS . . . . . . . . . . . . . 40.1 m-70 -115.27 126.85 55.0 Favored 'General case' 0 C--N 1.311 -1.073 0 N-CA-C 109.406 -0.59 . . . . 0.0 109.406 178.561 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 17.2 mp0 -85.59 116.89 24.14 Favored 'General case' 0 N--CA 1.435 -1.224 0 N-CA-C 108.952 -0.759 . . . . 0.0 108.952 171.159 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 57' ' ' PHE . . . . . . . . . . . . . 86.1 m-85 -105.63 100.48 10.05 Favored 'General case' 0 N--CA 1.415 -2.181 0 N-CA-C 104.107 -2.553 . . . . 0.0 104.107 174.249 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 58' ' ' GLU . . . . . 0.458 ' HG3' HG21 ' A' ' 71' ' ' THR . 16.9 tp10 -78.97 110.44 14.2 Favored 'General case' 0 C--N 1.303 -1.456 0 N-CA-C 103.966 -2.605 . . . . 0.0 103.966 178.245 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 59' ' ' VAL . . . . . 0.554 ' HA ' ' HA ' ' A' ' 70' ' ' LEU . 19.3 m -99.01 162.24 2.93 Favored 'Isoleucine or valine' 0 C--N 1.298 -1.665 0 CA-C-N 115.988 -0.551 . . . . 0.0 110.68 -176.105 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 38.1 tt0 -131.13 102.19 5.9 Favored 'General case' 0 N--CA 1.421 -1.919 0 N-CA-C 106.504 -1.665 . . . . 0.0 106.504 178.611 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -77.13 89.62 3.63 Favored 'General case' 0 C--N 1.318 -0.794 0 CA-C-N 115.234 -0.894 . . . . 0.0 109.612 -178.53 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 33.6 mmtp -64.56 -58.48 6.25 Favored 'General case' 0 C--N 1.321 -0.646 0 CA-C-N 114.182 -1.372 . . . . 0.0 113.237 -178.58 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 7.4 t0 -138.54 167.91 20.91 Favored 'General case' 0 C--N 1.309 -1.175 0 N-CA-C 108.655 -0.869 . . . . 0.0 108.655 -175.386 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 64' ' ' GLN . . . . . 0.441 ' OE1' ' HB3' ' A' ' 21' ' ' PRO . 11.7 pt20 -75.73 5.01 6.79 Favored 'General case' 0 C--N 1.32 -0.684 0 C-N-CA 125.391 1.476 . . . . 0.0 113.069 -174.305 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 65' ' ' ASN . . . . . . . . . . . . . 18.7 m120 -79.81 -16.56 55.26 Favored 'General case' 0 C--N 1.324 -0.515 0 N-CA-C 108.055 -1.091 . . . . 0.0 108.055 174.753 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 66' ' ' CYS . . . . . . . . . . . . . 71.5 m 59.3 55.13 4.4 Favored 'General case' 0 N--CA 1.443 -0.818 0 N-CA-C 116.539 2.052 . . . . 0.0 116.539 174.208 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 4.8 mptp? -76.85 157.4 31.49 Favored 'General case' 0 CA--C 1.49 -1.347 0 N-CA-C 108.734 -0.839 . . . . 0.0 108.734 170.038 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 68' ' ' VAL . . . . . . . . . . . . . 7.2 p -89.35 98.94 8.61 Favored 'Isoleucine or valine' 0 C--N 1.284 -2.274 0 CA-C-O 123.103 1.43 . . . . 0.0 108.194 176.604 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 69' ' ' ILE . . . . . . . . . . . . . 86.7 mt -120.74 120.52 62.73 Favored 'Isoleucine or valine' 0 C--N 1.296 -1.734 0 N-CA-C 105.43 -2.063 . . . . 0.0 105.43 -177.089 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 70' ' ' LEU . . . . . 0.773 HD21 ' HB2' ' A' ' 76' ' ' ALA . 2.4 mm? -86.01 160.11 19.42 Favored 'General case' 0 N--CA 1.412 -2.346 0 C-N-CA 119.053 -1.059 . . . . 0.0 109.106 -179.701 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 71' ' ' THR . . . . . 0.458 HG21 ' HG3' ' A' ' 58' ' ' GLU . 22.7 p -58.48 -34.73 71.21 Favored 'General case' 0 C--N 1.29 -2.011 0 O-C-N 124.394 1.059 . . . . 0.0 112.568 178.353 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 72' ' ' ASN . . . . . 0.416 ' ND2' ' HG3' ' A' ' 74' ' ' LYS . 35.9 p-10 -84.03 -7.12 59.48 Favored 'General case' 0 C--N 1.307 -1.256 0 CA-C-O 122.341 1.067 . . . . 0.0 109.344 -176.778 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 73' ' ' GLY . . . . . . . . . . . . . . . 87.31 17.45 58.91 Favored Glycine 0 CA--C 1.487 -1.69 0 CA-C-N 113.876 -1.511 . . . . 0.0 111.726 170.256 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 74' ' ' LYS . . . . . 0.416 ' HG3' ' ND2' ' A' ' 72' ' ' ASN . 73.2 mmtt -89.7 179.26 6.06 Favored 'General case' 0 C--N 1.298 -1.639 0 N-CA-C 114.088 1.144 . . . . 0.0 114.088 -175.984 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 75' ' ' GLN . . . . . . . . . . . . . 48.3 mt-30 -93.32 141.26 28.64 Favored 'General case' 0 C--N 1.305 -1.354 0 CA-C-N 113.162 -1.836 . . . . 0.0 109.396 175.471 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 76' ' ' ALA . . . . . 0.773 ' HB2' HD21 ' A' ' 70' ' ' LEU . . . -108.03 161.5 23.12 Favored Pre-proline 0 C--N 1.296 -1.748 0 N-CA-C 107.784 -1.191 . . . . 0.0 107.784 178.015 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 77' ' ' PRO . . . . . . . . . . . . . 9.6 Cg_endo -53.96 153.77 19.39 Favored 'Trans proline' 0 C--N 1.348 0.508 0 C-N-CA 123.573 2.849 . . . . 0.0 112.423 175.655 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 78' ' ' ASP . . . . . . . . . . . . . 32.4 t70 -62.01 -27.19 68.69 Favored 'General case' 0 C--N 1.315 -0.911 0 CA-C-N 115.146 -0.933 . . . . 0.0 111.891 -177.469 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 79' ' ' TRP . . . . . . . . . . . . . 60.5 p-90 -79.82 -10.46 59.78 Favored 'General case' 0 C--N 1.321 -0.651 0 N-CA-C 112.385 0.513 . . . . 0.0 112.385 -179.248 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 80' ' ' LEU . . . . . 0.492 HD23 ' HB1' ' A' ' 76' ' ' ALA . 25.2 tp -84.74 97.96 9.98 Favored 'General case' 0 N--CA 1.433 -1.281 0 N-CA-C 108.484 -0.932 . . . . 0.0 108.484 -178.382 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -97.36 163.62 12.81 Favored 'General case' 0 C--N 1.311 -1.099 0 CA-C-N 114.691 -1.141 . . . . 0.0 110.616 -176.336 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 82' ' ' ALA . . . . . 0.602 ' HA ' ' O ' ' A' ' 26' ' ' VAL . . . -156.11 134.76 11.73 Favored 'General case' 0 C--N 1.301 -1.532 0 CA-C-N 114.147 -1.388 . . . . 0.0 108.125 177.449 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 10.1 pt-20 -146.67 147.63 30.84 Favored Pre-proline 0 C--N 1.307 -1.275 0 N-CA-C 106.188 -1.782 . . . . 0.0 106.188 176.859 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 84' ' ' PRO . . . . . 0.799 ' HA ' ' O ' ' A' ' 24' ' ' SER . 60.8 Cg_endo -65.14 131.35 28.29 Favored 'Trans proline' 0 N--CA 1.449 -1.11 0 C-N-CA 121.166 1.244 . . . . 0.0 110.957 173.209 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 85' ' ' TYR . . . . . 0.494 ' CD1' ' HB2' ' A' ' 24' ' ' SER 0.263 0.6 OUTLIER . . . . . 0 C--O 1.242 0.692 0 N-CA-C 115.766 1.765 . . . . 0.0 115.766 -171.089 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 8.6 t . . . . . 0 C--O 1.236 0.389 0 N-CA-C 106.537 -1.653 . . . . 0.0 106.537 . . . . . . . . . 0 0 . 1 . 007 nuclear build full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . -140.68 -179.87 18.56 Favored Glycine 0 N--CA 1.436 -1.35 0 C-N-CA 120.493 -0.86 . . . . 0.0 111.013 -177.183 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 37.1 mmt180 -90.84 96.87 10.85 Favored 'General case' 0 C--N 1.308 -1.198 0 CA-C-O 121.179 0.514 . . . . 0.0 111.537 -179.379 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 4.9 tp10 -90.34 92.5 8.93 Favored 'General case' 0 C--N 1.303 -1.414 0 N-CA-C 107.258 -1.386 . . . . 0.0 107.258 172.233 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 11' ' ' ASN . . . . . . . . . . . . . 14.2 m120 -122.68 91.14 3.43 Favored 'General case' 0 C--N 1.304 -1.377 0 CA-C-O 121.954 0.883 . . . . 0.0 111.195 178.882 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 4.4 pp -150.98 158.18 43.82 Favored 'General case' 0 C--N 1.294 -1.818 0 N-CA-C 103.397 -2.816 . . . . 0.0 103.397 172.567 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 13' ' ' TYR . . . . . . . . . . . . . 50.9 t80 -110.37 111.48 22.79 Favored 'General case' 0 C--N 1.28 -2.417 0 C-N-CA 118.517 -1.273 . . . . 0.0 109.484 -178.5 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 14' ' ' PHE . . . . . . . . . . . . . 78.9 t80 -87.79 161.77 17.38 Favored 'General case' 0 C--N 1.306 -1.285 0 N-CA-C 106.662 -1.607 . . . . 0.0 106.662 179.349 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 61.8 tp60 -67.78 106.46 2.26 Favored 'General case' 0 N--CA 1.443 -0.813 0 CA-C-O 121.02 0.438 . . . . 0.0 110.552 179.71 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . -81.02 152.75 33.34 Favored Glycine 0 N--CA 1.435 -1.419 0 N-CA-C 108.99 -1.644 . . . . 0.0 108.99 176.071 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 17' ' ' HIS . . . . . . . . . . . . . 2.7 p80 -86.55 141.14 29.25 Favored 'General case' 0 C--N 1.308 -1.217 0 C-N-CA 120.352 -0.539 . . . . 0.0 109.696 -177.991 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 18' ' ' MET . . . . . . . . . . . . . 25.0 ttt -86.55 125.15 33.58 Favored 'General case' 0 N--CA 1.437 -1.091 0 N-CA-C 104.168 -2.53 . . . . 0.0 104.168 174.518 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -71.89 108.34 5.11 Favored 'General case' 0 C--N 1.304 -1.397 0 N-CA-C 115.342 1.608 . . . . 0.0 115.342 -169.914 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -84.9 131.96 47.43 Favored Pre-proline 0 N--CA 1.436 -1.171 0 N-CA-C 100.274 -3.972 . . . . 0.0 100.274 164.616 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 21' ' ' PRO . . . . . . . . . . . . . 30.5 Cg_exo -10.26 89.51 0.0 OUTLIER 'Trans proline' 0 C--N 1.357 1.016 1 C-N-CA 126.464 4.776 . . . . 0.0 116.033 -170.033 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 22' ' ' ALA . . . . . 0.612 ' H ' ' HB2' ' A' ' 84' ' ' PRO . . . -73.26 26.52 0.06 Allowed 'General case' 0 N--CA 1.473 0.687 0 N-CA-C 115.649 1.722 . . . . 0.0 115.649 -172.285 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 23' ' ' ARG . . . . . 0.498 ' C ' HG12 ' A' ' 44' ' ' ILE . 92.6 mtt180 57.98 22.1 8.47 Favored 'General case' 0 C--N 1.313 -0.983 0 N-CA-C 114.786 1.402 . . . . 0.0 114.786 172.659 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 24' ' ' SER . . . . . 0.79 ' O ' ' HA ' ' A' ' 84' ' ' PRO . 67.7 m -155.64 143.22 19.57 Favored 'General case' 0 C--N 1.312 -1.062 0 N-CA-C 107.696 -1.224 . . . . 0.0 107.696 175.716 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 25' ' ' CYS . . . . . . . . . . . . . 91.7 m -108.12 130.7 55.09 Favored 'General case' 0 N--CA 1.435 -1.187 0 N-CA-C 105.706 -1.961 . . . . 0.0 105.706 178.316 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 26' ' ' VAL . . . . . 0.634 ' O ' ' HA ' ' A' ' 82' ' ' ALA . 4.2 t -118.49 121.44 67.08 Favored 'Isoleucine or valine' 0 C--N 1.29 -2.003 0 N-CA-C 107.99 -1.115 . . . . 0.0 107.99 -171.624 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 27' ' ' TYR . . . . . . . . . . . . . 78.4 m-85 -87.56 129.8 34.97 Favored 'General case' 0 C--N 1.293 -1.872 0 O-C-N 124.797 1.311 . . . . 0.0 110.185 -173.959 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 28' ' ' TYR . . . . . 0.448 ' HA ' ' O ' ' A' ' 37' ' ' VAL . 96.8 m-85 -127.38 138.68 53.07 Favored 'General case' 0 N--CA 1.417 -2.105 0 CA-C-N 114.57 -1.196 . . . . 0.0 109.392 179.748 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 29' ' ' ASP . . . . . 0.512 ' HB3' ' HB ' ' A' ' 37' ' ' VAL . 5.7 t0 -86.62 102.31 14.05 Favored 'General case' 0 C--N 1.296 -1.748 0 N-CA-C 105.184 -2.154 . . . . 0.0 105.184 170.925 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . -160.0 127.58 1.83 Allowed Glycine 0 N--CA 1.415 -2.738 0 C-N-CA 118.788 -1.672 . . . . 0.0 113.75 -177.739 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 31' ' ' HIS . . . . . . . . . . . . . 5.3 t-80 -91.16 -30.21 16.82 Favored 'General case' 0 C--N 1.279 -2.49 0 N-CA-C 104.6 -2.37 . . . . 0.0 104.6 177.161 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 32' ' ' LEU . . . . . 0.494 HD12 ' HD2' ' A' ' 33' ' ' PRO . 35.7 tp -132.01 132.38 23.1 Favored Pre-proline 0 N--CA 1.441 -0.895 0 N-CA-C 105.625 -1.991 . . . . 0.0 105.625 176.324 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 33' ' ' PRO . . . . . 0.494 ' HD2' HD12 ' A' ' 32' ' ' LEU . 21.3 Cg_endo -62.94 -16.13 52.06 Favored 'Trans proline' 0 C--N 1.35 0.645 0 C-N-CA 122.756 2.304 . . . . 0.0 113.793 -178.015 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -72.23 -38.83 68.87 Favored 'General case' 0 C--N 1.316 -0.855 0 O-C-N 121.756 -0.59 . . . . 0.0 111.713 178.192 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 10.0 t -110.56 20.91 17.2 Favored 'General case' 0 C--N 1.318 -0.766 0 CA-C-O 121.386 0.613 . . . . 0.0 110.612 -175.018 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 36' ' ' ARG . . . . . 0.416 ' HB2' ' HB3' ' A' ' 28' ' ' TYR . 38.0 ptt180 -59.5 153.2 20.04 Favored 'General case' 0 C--O 1.242 0.686 0 CA-C-N 115.215 -0.902 . . . . 0.0 110.585 177.47 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 37' ' ' VAL . . . . . 0.512 ' HB ' ' HB3' ' A' ' 29' ' ' ASP . 56.1 t -120.37 128.85 76.03 Favored 'Isoleucine or valine' 0 C--N 1.316 -0.853 0 N-CA-C 107.696 -1.224 . . . . 0.0 107.696 -178.797 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 38' ' ' LEU . . . . . 0.415 HD21 ' CE2' ' A' ' 41' ' ' TYR . 3.4 tm? -69.37 112.51 5.96 Favored 'General case' 0 C--N 1.311 -1.092 0 N-CA-C 108.282 -1.007 . . . . 0.0 108.282 -179.39 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 86.9 mt -90.77 -61.83 1.59 Allowed 'General case' 0 N--CA 1.44 -0.926 0 C-N-CA 119.737 -0.785 . . . . 0.0 109.54 178.025 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 40' ' ' MET . . . . . . . . . . . . . 36.5 ttp -168.48 148.4 4.56 Favored 'General case' 0 N--CA 1.443 -0.818 0 N-CA-C 112.006 0.372 . . . . 0.0 112.006 -178.12 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 41' ' ' TYR . . . . . 0.475 ' CE1' ' HB2' ' A' ' 85' ' ' TYR . 8.6 m-85 -89.26 132.99 34.64 Favored 'General case' 0 C--N 1.328 -0.361 0 C-N-CA 124.731 1.212 . . . . 0.0 108.705 174.784 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 59.4 t -129.48 127.37 64.8 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.695 0 N-CA-C 109.913 -0.403 . . . . 0.0 109.913 177.562 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 13.2 mmm180 -62.26 148.63 44.3 Favored 'General case' 0 CA--C 1.498 -1.031 0 CA-C-O 121.679 0.752 . . . . 0.0 112.863 175.237 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 44' ' ' ILE . . . . . 0.498 HG12 ' C ' ' A' ' 23' ' ' ARG . 24.8 mm -68.72 121.46 18.07 Favored 'Isoleucine or valine' 0 C--N 1.305 -1.361 0 N-CA-C 106.788 -1.56 . . . . 0.0 106.788 173.489 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . 99.29 15.65 32.09 Favored Glycine 0 C--N 1.289 -2.032 0 N-CA-C 110.792 -0.923 . . . . 0.0 110.792 -178.343 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 46' ' ' ASN . . . . . . . . . . . . . 41.6 t-20 -127.42 154.16 45.38 Favored 'General case' 0 C--N 1.304 -1.377 0 CA-C-O 121.667 0.746 . . . . 0.0 109.13 -177.434 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 12.5 p -117.83 145.37 44.62 Favored 'General case' 0 C--N 1.286 -2.175 0 CA-C-N 114.346 -1.297 . . . . 0.0 110.0 -177.863 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 48' ' ' ALA . . . . . 0.418 ' O ' ' HA ' ' A' ' 58' ' ' GLU . . . -148.67 161.14 42.33 Favored 'General case' 0 C--N 1.292 -1.929 0 C-N-CA 120.186 -0.606 . . . . 0.0 111.941 -175.779 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 32.1 m -117.07 115.23 24.99 Favored 'General case' 0 C--N 1.3 -1.575 0 N-CA-C 107.806 -1.183 . . . . 0.0 107.806 177.599 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 50' ' ' ILE . . . . . . . . . . . . . 5.1 mm -104.38 110.89 31.91 Favored 'Isoleucine or valine' 0 C--N 1.312 -1.032 0 N-CA-C 107.876 -1.157 . . . . 0.0 107.876 -177.781 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 29.9 m -89.39 123.6 33.69 Favored 'General case' 0 C--N 1.294 -1.811 0 C-N-CA 117.7 -1.6 . . . . 0.0 107.713 174.223 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -149.5 121.93 8.49 Favored 'General case' 0 C--N 1.311 -1.079 0 N-CA-C 107.785 -1.191 . . . . 0.0 107.785 179.339 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 53' ' ' ARG . . . . . . . . . . . . . 78.9 mtt85 64.39 20.94 12.35 Favored 'General case' 0 C--N 1.32 -0.694 0 C-N-CA 124.435 1.094 . . . . 0.0 112.418 -179.179 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . 83.76 13.0 76.4 Favored Glycine 0 N--CA 1.44 -1.035 0 CA-C-N 114.561 -1.2 . . . . 0.0 111.766 -179.464 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 55' ' ' HIS . . . . . . . . . . . . . 43.0 m-70 -109.24 127.31 54.15 Favored 'General case' 0 C--N 1.309 -1.154 0 N-CA-C 105.491 -2.04 . . . . 0.0 105.491 175.118 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 5.8 mp0 -94.91 118.8 32.39 Favored 'General case' 0 N--CA 1.429 -1.51 0 N-CA-C 107.212 -1.403 . . . . 0.0 107.212 174.35 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 57' ' ' PHE . . . . . . . . . . . . . 88.8 m-85 -101.88 106.19 17.11 Favored 'General case' 0 N--CA 1.424 -1.769 0 N-CA-C 107.167 -1.419 . . . . 0.0 107.167 179.064 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 58' ' ' GLU . . . . . 0.49 ' HG2' HG21 ' A' ' 71' ' ' THR . 40.4 tt0 -90.19 110.04 21.09 Favored 'General case' 0 N--CA 1.417 -2.114 0 N-CA-C 104.909 -2.256 . . . . 0.0 104.909 178.495 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 59' ' ' VAL . . . . . 0.583 HG12 HD13 ' A' ' 70' ' ' LEU . 30.0 m -110.77 159.4 10.71 Favored 'Isoleucine or valine' 0 C--N 1.294 -1.822 0 CA-C-N 114.593 -1.185 . . . . 0.0 111.382 -173.436 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 40.3 tt0 -130.87 103.21 6.43 Favored 'General case' 0 N--CA 1.42 -1.959 0 N-CA-C 105.856 -1.905 . . . . 0.0 105.856 177.305 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -77.79 88.07 4.02 Favored 'General case' 0 C--N 1.316 -0.888 0 N-CA-C 106.958 -1.497 . . . . 0.0 106.958 178.178 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 24.2 ttpp -87.74 -33.98 18.51 Favored 'General case' 0 N--CA 1.42 -1.968 0 CA-C-N 115.046 -0.979 . . . . 0.0 112.079 -174.852 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 9.2 m-20 -132.99 149.68 52.22 Favored 'General case' 0 C--N 1.307 -1.269 0 CA-C-N 115.694 -0.685 . . . . 0.0 109.482 -177.314 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 64' ' ' GLN . . . . . . . . . . . . . 16.0 pm0 -75.43 8.63 2.66 Favored 'General case' 0 C--N 1.317 -0.835 0 C-N-CA 124.995 1.318 . . . . 0.0 111.571 179.346 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 65' ' ' ASN . . . . . . . . . . . . . 21.0 t30 -66.82 -30.8 71.08 Favored 'General case' 0 C--N 1.323 -0.564 0 N-CA-C 106.508 -1.664 . . . . 0.0 106.508 170.42 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 66' ' ' CYS . . . . . 0.545 ' O ' ' HB3' ' A' ' 82' ' ' ALA . 71.3 m 59.38 32.61 21.95 Favored 'General case' 0 N--CA 1.445 -0.699 0 CA-C-N 113.943 -1.48 . . . . 0.0 114.334 176.524 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 67' ' ' LYS . . . . . 0.494 ' HA ' ' HE3' ' A' ' 67' ' ' LYS . 0.0 OUTLIER -74.94 137.94 41.99 Favored 'General case' 0 N--CA 1.399 -2.987 0 N-CA-C 103.766 -2.679 . . . . 0.0 103.766 167.367 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 68' ' ' VAL . . . . . . . . . . . . . 3.3 p -64.66 101.92 0.34 Allowed 'Isoleucine or valine' 0 C--N 1.299 -1.605 0 CA-C-O 122.282 1.039 . . . . 0.0 109.989 178.015 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 69' ' ' ILE . . . . . . . . . . . . . 96.9 mt -106.9 123.08 61.73 Favored 'Isoleucine or valine' 0 C--N 1.309 -1.194 0 CA-C-N 114.353 -1.294 . . . . 0.0 107.683 -177.336 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 70' ' ' LEU . . . . . 0.837 HD21 ' HB2' ' A' ' 76' ' ' ALA . 2.8 mm? -90.58 151.98 21.09 Favored 'General case' 0 N--CA 1.413 -2.31 0 CA-C-O 121.925 0.869 . . . . 0.0 109.805 -178.224 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 71' ' ' THR . . . . . 0.49 HG21 ' HG2' ' A' ' 58' ' ' GLU . 45.0 p -67.45 -33.04 74.32 Favored 'General case' 0 C--N 1.288 -2.069 0 CA-C-N 113.411 -1.722 . . . . 0.0 110.889 179.269 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 72' ' ' ASN . . . . . 0.517 ' OD1' ' HG3' ' A' ' 74' ' ' LYS . 4.3 p30 -99.4 -13.83 19.4 Favored 'General case' 0 C--N 1.3 -1.581 0 CA-C-N 113.172 -1.831 . . . . 0.0 109.737 -173.625 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 73' ' ' GLY . . . . . . . . . . . . . . . 90.13 21.26 39.31 Favored Glycine 0 N--CA 1.43 -1.711 0 C-N-CA 119.781 -1.2 . . . . 0.0 113.716 174.299 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 74' ' ' LYS . . . . . 0.517 ' HG3' ' OD1' ' A' ' 72' ' ' ASN . 58.6 mttm -62.69 162.93 9.93 Favored 'General case' 0 N--CA 1.434 -1.241 0 CA-C-O 122.52 1.152 . . . . 0.0 112.623 172.799 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 75' ' ' GLN . . . . . . . . . . . . . 5.9 tp-100 -89.19 108.05 19.39 Favored 'General case' 0 C--N 1.285 -2.212 0 N-CA-C 106.166 -1.79 . . . . 0.0 106.166 172.102 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 76' ' ' ALA . . . . . 0.845 ' HB1' HD23 ' A' ' 80' ' ' LEU . . . -84.73 142.23 39.27 Favored Pre-proline 0 C--N 1.304 -1.385 0 N-CA-C 107.732 -1.21 . . . . 0.0 107.732 177.897 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 77' ' ' PRO . . . . . 0.44 ' HB2' ' CD1' ' A' ' 79' ' ' TRP . 27.9 Cg_endo -60.35 162.45 17.32 Favored 'Trans proline' 0 C--O 1.238 0.483 0 C-N-CA 124.074 3.183 . . . . 0.0 114.293 -178.551 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 78' ' ' ASP . . . . . . . . . . . . . 11.6 t70 -60.88 -38.33 85.23 Favored 'General case' 0 C--N 1.323 -0.583 0 C-N-CA 124.403 1.081 . . . . 0.0 110.545 -179.618 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 79' ' ' TRP . . . . . 0.44 ' CD1' ' HB2' ' A' ' 77' ' ' PRO . 66.2 p-90 -71.16 -14.09 62.16 Favored 'General case' 0 C--O 1.221 -0.425 0 CA-C-N 115.419 -0.809 . . . . 0.0 111.994 -178.279 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 80' ' ' LEU . . . . . 0.845 HD23 ' HB1' ' A' ' 76' ' ' ALA . 31.7 tp -89.11 98.69 11.91 Favored 'General case' 0 N--CA 1.425 -1.682 0 N-CA-C 107.019 -1.474 . . . . 0.0 107.019 179.312 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -106.01 163.04 13.08 Favored 'General case' 0 C--N 1.304 -1.404 0 CA-C-N 115.049 -0.978 . . . . 0.0 110.734 -176.172 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 82' ' ' ALA . . . . . 0.634 ' HA ' ' O ' ' A' ' 26' ' ' VAL . . . -151.79 146.35 25.65 Favored 'General case' 0 C--N 1.288 -2.079 0 N-CA-C 106.393 -1.706 . . . . 0.0 106.393 173.024 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 9.4 pt-20 -150.19 156.51 37.5 Favored Pre-proline 0 C--N 1.293 -1.851 0 N-CA-C 105.538 -2.023 . . . . 0.0 105.538 176.569 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 84' ' ' PRO . . . . . 0.79 ' HA ' ' O ' ' A' ' 24' ' ' SER . 65.6 Cg_endo -70.25 134.91 28.01 Favored 'Trans proline' 0 N--CA 1.432 -2.093 0 N-CA-C 109.365 -1.052 . . . . 0.0 109.365 175.527 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 85' ' ' TYR . . . . . 0.475 ' HB2' ' CE1' ' A' ' 41' ' ' TYR 0.42 0.8 OUTLIER . . . . . 0 C--O 1.254 1.334 0 N-CA-C 118.887 2.921 . . . . 0.0 118.887 -166.973 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 22.7 t . . . . . 0 C--O 1.239 0.536 0 N-CA-C 105.091 -2.188 . . . . 0.0 105.091 . . . . . . . . . 0 0 . 1 . 008 nuclear build full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . -133.18 135.08 7.86 Favored Glycine 0 N--CA 1.423 -2.171 0 N-CA-C 109.391 -1.484 . . . . 0.0 109.391 179.226 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 9' ' ' ARG . . . . . 0.601 ' HD3' ' O ' ' A' ' 9' ' ' ARG . 0.0 OUTLIER -104.85 114.8 29.24 Favored 'General case' 0 C--N 1.308 -1.224 0 N-CA-C 108.327 -0.99 . . . . 0.0 108.327 175.195 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 10' ' ' GLU . . . . . 0.49 ' HB2' HD22 ' A' ' 32' ' ' LEU . 20.4 mm-40 -130.32 166.88 19.45 Favored 'General case' 0 C--N 1.301 -1.504 0 N-CA-C 107.046 -1.464 . . . . 0.0 107.046 -175.957 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 11' ' ' ASN . . . . . . . . . . . . . 7.1 t30 -143.17 132.04 22.78 Favored 'General case' 0 C--N 1.294 -1.812 0 N-CA-C 107.092 -1.448 . . . . 0.0 107.092 176.166 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 12' ' ' LEU . . . . . 0.456 HD23 ' HG2' ' A' ' 33' ' ' PRO . 1.4 pt? -110.42 128.83 55.78 Favored 'General case' 0 C--N 1.31 -1.145 0 N-CA-C 108.011 -1.107 . . . . 0.0 108.011 -179.994 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 13' ' ' TYR . . . . . . . . . . . . . 74.5 t80 -91.01 98.07 11.55 Favored 'General case' 0 C--N 1.299 -1.588 0 C-N-CA 118.65 -1.22 . . . . 0.0 109.828 178.22 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 14' ' ' PHE . . . . . . . . . . . . . 86.7 t80 -101.6 144.38 30.41 Favored 'General case' 0 C--N 1.298 -1.662 0 N-CA-C 103.851 -2.648 . . . . 0.0 103.851 172.138 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 94.4 mt-30 -78.89 88.78 4.69 Favored 'General case' 0 C--N 1.313 -0.988 0 N-CA-C 108.225 -1.028 . . . . 0.0 108.225 179.86 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . -102.04 164.57 17.14 Favored Glycine 0 N--CA 1.424 -2.162 0 CA-C-N 113.692 -1.595 . . . . 0.0 110.209 -179.543 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 17' ' ' HIS . . . . . . . . . . . . . 13.0 m-70 -74.46 119.81 19.17 Favored 'General case' 0 C--N 1.3 -1.547 0 N-CA-C 108.164 -1.05 . . . . 0.0 108.164 179.073 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 18' ' ' MET . . . . . . . . . . . . . 16.4 tpt -49.14 134.87 17.24 Favored 'General case' 0 C--N 1.327 -0.41 0 O-C-N 124.797 1.311 . . . . 0.0 112.7 -175.316 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -76.98 113.64 14.91 Favored 'General case' 0 N--CA 1.443 -0.792 0 N-CA-C 107.182 -1.414 . . . . 0.0 107.182 176.865 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -83.99 153.94 63.79 Favored Pre-proline 0 C--N 1.307 -1.276 0 CA-C-N 115.949 -0.569 . . . . 0.0 109.779 -176.063 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 21' ' ' PRO . . . . . . . . . . . . . 45.2 Cg_exo -63.08 89.41 0.13 Allowed 'Trans proline' 0 CA--C 1.534 0.482 0 C-N-CA 122.6 2.2 . . . . 0.0 109.38 173.312 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -100.01 33.63 2.54 Favored 'General case' 0 C--N 1.306 -1.323 0 N-CA-C 114.196 1.184 . . . . 0.0 114.196 -170.752 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 23' ' ' ARG . . . . . 0.577 ' C ' HG12 ' A' ' 44' ' ' ILE . 62.1 mtt180 62.4 14.36 6.83 Favored 'General case' 0 C--N 1.316 -0.849 0 N-CA-C 112.85 0.685 . . . . 0.0 112.85 178.52 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 24' ' ' SER . . . . . 0.576 ' O ' ' HA ' ' A' ' 84' ' ' PRO . 61.1 m -152.94 142.47 21.79 Favored 'General case' 0 C--N 1.314 -0.948 0 O-C-N 120.881 -1.137 . . . . 0.0 111.309 179.652 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 25' ' ' CYS . . . . . . . . . . . . . 90.7 m -107.85 131.1 54.85 Favored 'General case' 0 N--CA 1.434 -1.254 0 N-CA-C 104.597 -2.372 . . . . 0.0 104.597 175.705 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 26' ' ' VAL . . . . . 0.509 ' O ' ' HA ' ' A' ' 82' ' ' ALA . 4.1 t -113.69 128.9 70.36 Favored 'Isoleucine or valine' 0 C--N 1.283 -2.299 0 N-CA-C 107.389 -1.337 . . . . 0.0 107.389 -171.221 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 27' ' ' TYR . . . . . . . . . . . . . 57.6 m-85 -100.3 131.63 46.13 Favored 'General case' 0 C--N 1.304 -1.402 0 O-C-N 124.168 0.918 . . . . 0.0 111.496 -172.155 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 28' ' ' TYR . . . . . 0.408 ' HA ' ' O ' ' A' ' 37' ' ' VAL . 97.6 m-85 -129.7 148.7 51.61 Favored 'General case' 0 N--CA 1.419 -2.022 0 CA-C-N 114.322 -1.308 . . . . 0.0 109.973 -178.961 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 7.1 t0 -101.62 109.64 21.48 Favored 'General case' 0 C--N 1.289 -2.042 0 N-CA-C 104.68 -2.341 . . . . 0.0 104.68 173.507 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . -170.85 140.92 6.2 Favored Glycine 0 C--N 1.305 -1.14 0 C-N-CA 117.903 -2.094 . . . . 0.0 115.154 179.008 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 31' ' ' HIS . . . . . . . . . . . . . 41.3 m-70 -90.68 -28.45 18.34 Favored 'General case' 0 C--N 1.304 -1.375 0 N-CA-C 107.429 -1.323 . . . . 0.0 107.429 175.99 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 32' ' ' LEU . . . . . 0.49 HD22 ' HB2' ' A' ' 10' ' ' GLU . 15.6 mt -123.15 153.75 64.79 Favored Pre-proline 0 N--CA 1.439 -1.01 0 N-CA-C 104.8 -2.296 . . . . 0.0 104.8 178.309 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 33' ' ' PRO . . . . . 0.456 ' HG2' HD23 ' A' ' 12' ' ' LEU . 34.6 Cg_endo -70.55 -4.6 14.88 Favored 'Trans proline' 0 CA--C 1.539 0.762 0 C-N-CA 121.588 1.525 . . . . 0.0 109.725 170.858 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -92.29 -17.27 24.97 Favored 'General case' 0 N--CA 1.446 -0.647 0 CA-C-N 115.647 -0.706 . . . . 0.0 109.606 177.311 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 23.3 p -116.4 17.13 15.6 Favored 'General case' 0 N--CA 1.451 -0.395 0 CA-C-O 120.891 0.377 . . . . 0.0 111.211 179.902 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 36' ' ' ARG . . . . . 0.436 ' HG2' ' O ' ' A' ' 33' ' ' PRO . 25.3 ptt180 -70.53 123.49 21.95 Favored 'General case' 0 N--CA 1.444 -0.731 0 CA-C-O 121.684 0.754 . . . . 0.0 110.229 178.974 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 37' ' ' VAL . . . . . 0.408 ' O ' ' HA ' ' A' ' 28' ' ' TYR . 60.1 t -108.49 121.47 61.57 Favored 'Isoleucine or valine' 0 C--N 1.306 -1.313 0 N-CA-C 106.425 -1.694 . . . . 0.0 106.425 -177.759 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 60.5 tp -66.09 118.55 10.0 Favored 'General case' 0 N--CA 1.439 -1.013 0 O-C-N 123.786 0.679 . . . . 0.0 110.733 179.419 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 85.5 mt -91.46 -53.63 4.24 Favored 'General case' 0 C--N 1.303 -1.441 0 CA-C-N 114.612 -1.176 . . . . 0.0 109.183 177.315 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 40' ' ' MET . . . . . . . . . . . . . 24.6 ptp -175.37 167.89 3.31 Favored 'General case' 0 CA--C 1.515 -0.39 0 CA-C-N 115.771 -0.65 . . . . 0.0 112.73 -176.297 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 41' ' ' TYR . . . . . . . . . . . . . 95.4 m-85 -107.78 130.37 54.97 Favored 'General case' 0 C--N 1.317 -0.827 0 CA-C-N 113.814 -1.539 . . . . 0.0 107.605 176.431 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 40.7 t -125.44 124.01 66.09 Favored 'Isoleucine or valine' 0 C--N 1.315 -0.901 0 N-CA-C 108.108 -1.071 . . . . 0.0 108.108 178.002 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 43' ' ' ARG . . . . . 0.437 ' HG2' ' N ' ' A' ' 44' ' ' ILE . 19.1 ttt180 -69.26 148.4 49.84 Favored 'General case' 0 C--N 1.304 -1.378 0 CA-C-O 121.221 0.534 . . . . 0.0 110.137 178.843 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 44' ' ' ILE . . . . . 0.577 HG12 ' C ' ' A' ' 23' ' ' ARG . 19.5 mm -64.84 129.14 28.61 Favored 'Isoleucine or valine' 0 C--N 1.305 -1.34 0 N-CA-C 107.167 -1.42 . . . . 0.0 107.167 175.87 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . 91.09 16.52 53.8 Favored Glycine 0 C--N 1.294 -1.761 0 N-CA-C 110.149 -1.181 . . . . 0.0 110.149 178.759 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 46' ' ' ASN . . . . . . . . . . . . . 42.0 t30 -131.7 157.07 44.73 Favored 'General case' 0 C--N 1.31 -1.149 0 N-CA-C 108.557 -0.905 . . . . 0.0 108.557 178.697 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 18.9 p -111.0 153.85 24.98 Favored 'General case' 0 C--N 1.287 -2.109 0 CA-C-N 114.797 -1.092 . . . . 0.0 109.54 -179.775 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -149.7 150.71 32.52 Favored 'General case' 0 C--N 1.299 -1.617 0 CA-C-N 115.856 -0.611 . . . . 0.0 111.743 179.253 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 27.5 m -102.49 110.63 22.63 Favored 'General case' 0 C--N 1.302 -1.48 0 N-CA-C 107.186 -1.413 . . . . 0.0 107.186 177.999 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 50' ' ' ILE . . . . . . . . . . . . . 9.8 mm -96.69 110.3 24.57 Favored 'Isoleucine or valine' 0 C--N 1.311 -1.079 0 N-CA-C 107.893 -1.151 . . . . 0.0 107.893 -177.827 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 89.0 m -92.05 123.08 35.14 Favored 'General case' 0 C--N 1.293 -1.868 0 C-N-CA 116.95 -1.9 . . . . 0.0 106.324 171.445 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -147.6 122.35 9.91 Favored 'General case' 0 C--N 1.307 -1.268 0 N-CA-C 107.959 -1.126 . . . . 0.0 107.959 -179.053 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 53' ' ' ARG . . . . . 0.49 ' HD3' ' CZ2' ' A' ' 79' ' ' TRP . 20.1 mtp180 65.39 22.03 11.94 Favored 'General case' 0 C--N 1.325 -0.494 0 C-N-CA 124.593 1.157 . . . . 0.0 111.533 179.336 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . 94.44 -0.5 65.81 Favored Glycine 0 N--CA 1.446 -0.645 0 CA-C-N 114.929 -1.032 . . . . 0.0 112.919 179.366 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 55' ' ' HIS . . . . . . . . . . . . . 66.8 m-70 -111.16 131.49 55.06 Favored 'General case' 0 C--N 1.314 -0.96 0 O-C-N 122.409 -0.465 . . . . 0.0 110.958 -179.128 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 7.3 mp0 -84.47 125.24 32.19 Favored 'General case' 0 N--CA 1.443 -0.811 0 N-CA-C 109.644 -0.502 . . . . 0.0 109.644 170.633 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 57' ' ' PHE . . . . . 0.473 ' HB3' HD11 ' A' ' 70' ' ' LEU . 89.8 m-85 -112.89 107.14 15.61 Favored 'General case' 0 N--CA 1.422 -1.869 0 N-CA-C 104.674 -2.343 . . . . 0.0 104.674 174.216 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 58' ' ' GLU . . . . . 0.423 ' HG2' HG21 ' A' ' 71' ' ' THR . 35.1 tt0 -90.96 112.26 24.06 Favored 'General case' 0 C--N 1.298 -1.658 0 N-CA-C 106.417 -1.698 . . . . 0.0 106.417 -178.723 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 59' ' ' VAL . . . . . 0.588 HG12 HD13 ' A' ' 70' ' ' LEU . 27.5 m -110.38 163.26 7.37 Favored 'Isoleucine or valine' 0 C--N 1.299 -1.618 0 CA-C-N 115.451 -0.795 . . . . 0.0 111.131 -175.35 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 39.3 tt0 -129.35 118.2 21.85 Favored 'General case' 0 C--N 1.295 -1.791 0 N-CA-C 105.277 -2.119 . . . . 0.0 105.277 174.897 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -77.28 89.66 3.72 Favored 'General case' 0 C--N 1.312 -1.053 0 N-CA-C 107.615 -1.254 . . . . 0.0 107.615 177.46 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 29.8 mmmt -65.2 -55.6 17.61 Favored 'General case' 0 C--N 1.317 -0.81 0 CA-C-N 114.137 -1.392 . . . . 0.0 112.07 -174.173 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 14.8 t70 -147.58 165.9 28.97 Favored 'General case' 0 C--N 1.316 -0.86 0 CA-C-N 115.215 -0.902 . . . . 0.0 109.449 -174.963 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 64' ' ' GLN . . . . . 0.532 ' HG2' HG13 ' A' ' 44' ' ' ILE . 73.5 mt-30 -76.35 13.03 1.02 Allowed 'General case' 0 C--N 1.325 -0.484 0 C-N-CA 124.508 1.123 . . . . 0.0 112.859 -173.761 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 65' ' ' ASN . . . . . . . . . . . . . 9.6 p30 -77.65 -20.72 53.3 Favored 'General case' 0 C--O 1.238 0.472 0 N-CA-C 107.502 -1.295 . . . . 0.0 107.502 171.619 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 66' ' ' CYS . . . . . . . . . . . . 0.262 78.3 m 52.23 55.55 9.01 Favored 'General case' 0 N--CA 1.446 -0.667 0 N-CA-C 116.098 1.888 . . . . 0.0 116.098 176.254 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 67' ' ' LYS . . . . . 0.454 ' HA ' ' HE3' ' A' ' 67' ' ' LYS . 0.2 OUTLIER -92.81 154.19 18.41 Favored 'General case' 0 CA--C 1.482 -1.662 0 N-CA-C 106.679 -1.6 . . . . 0.0 106.679 168.314 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 68' ' ' VAL . . . . . . . . . . . . . 6.5 p -79.33 99.44 3.42 Favored 'Isoleucine or valine' 0 C--N 1.286 -2.164 0 CA-C-O 122.637 1.208 . . . . 0.0 109.463 179.805 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 69' ' ' ILE . . . . . . . . . . . . . 82.5 mt -114.15 119.45 61.28 Favored 'Isoleucine or valine' 0 C--N 1.306 -1.315 0 N-CA-C 107.3 -1.37 . . . . 0.0 107.3 -178.735 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 70' ' ' LEU . . . . . 0.823 HD21 ' HB2' ' A' ' 76' ' ' ALA . 3.0 mm? -82.46 153.21 25.76 Favored 'General case' 0 N--CA 1.417 -2.111 0 CA-C-N 114.752 -1.113 . . . . 0.0 109.871 -176.904 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 71' ' ' THR . . . . . 0.423 HG21 ' HG2' ' A' ' 58' ' ' GLU . 37.7 p -62.15 -31.68 72.19 Favored 'General case' 0 C--N 1.293 -1.882 0 CA-C-N 114.563 -1.199 . . . . 0.0 111.827 -178.647 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 72' ' ' ASN . . . . . 0.445 ' ND2' ' HG3' ' A' ' 74' ' ' LYS . 2.3 p-10 -103.25 4.3 36.5 Favored 'General case' 0 C--N 1.306 -1.308 0 CA-C-N 114.111 -1.404 . . . . 0.0 110.364 -175.321 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 73' ' ' GLY . . . . . . . . . . . . . . . 83.98 6.44 86.7 Favored Glycine 0 CA--C 1.493 -1.327 0 CA-C-N 113.584 -1.643 . . . . 0.0 111.474 171.249 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 74' ' ' LYS . . . . . 0.471 ' O ' HD23 ' A' ' 70' ' ' LEU . 57.4 mmtt -53.97 161.01 1.31 Allowed 'General case' 0 C--N 1.308 -1.213 0 N-CA-C 115.363 1.616 . . . . 0.0 115.363 179.764 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 75' ' ' GLN . . . . . . . . . . . . . 50.1 tt0 -87.6 128.34 35.27 Favored 'General case' 0 C--N 1.296 -1.723 0 CA-C-N 112.739 -2.028 . . . . 0.0 108.455 176.818 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 76' ' ' ALA . . . . . 0.823 ' HB2' HD21 ' A' ' 70' ' ' LEU . . . -108.05 140.04 21.28 Favored Pre-proline 0 C--N 1.3 -1.564 0 N-CA-C 108.443 -0.947 . . . . 0.0 108.443 176.361 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 77' ' ' PRO . . . . . . . . . . . . . 98.9 Cg_exo -50.09 155.85 4.14 Favored 'Trans proline' 0 C--O 1.239 0.525 0 C-N-CA 124.237 3.291 . . . . 0.0 114.151 178.038 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 78' ' ' ASP . . . . . . . . . . . . . 6.5 m-20 -56.72 -33.88 66.93 Favored 'General case' 0 C--N 1.322 -0.608 0 C-N-CA 125.022 1.329 . . . . 0.0 111.195 -178.212 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 79' ' ' TRP . . . . . 0.49 ' CZ2' ' HD3' ' A' ' 53' ' ' ARG . 64.1 p-90 -80.54 -10.04 59.75 Favored 'General case' 0 C--N 1.317 -0.824 0 N-CA-C 113.033 0.753 . . . . 0.0 113.033 -177.317 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 80' ' ' LEU . . . . . 0.755 HD23 ' HB1' ' A' ' 76' ' ' ALA . 26.3 tp -85.57 107.72 17.62 Favored 'General case' 0 N--CA 1.436 -1.136 0 N-CA-C 108.267 -1.012 . . . . 0.0 108.267 -177.954 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -109.81 157.89 18.71 Favored 'General case' 0 C--N 1.311 -1.107 0 CA-C-O 121.72 0.771 . . . . 0.0 112.361 -175.295 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 82' ' ' ALA . . . . . 0.509 ' HA ' ' O ' ' A' ' 26' ' ' VAL . . . -145.21 138.74 26.71 Favored 'General case' 0 C--N 1.306 -1.325 0 CA-C-N 113.84 -1.527 . . . . 0.0 107.507 175.511 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 9.3 pt-20 -155.06 148.94 18.92 Favored Pre-proline 0 C--N 1.306 -1.298 0 N-CA-C 105.435 -2.061 . . . . 0.0 105.435 176.709 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 84' ' ' PRO . . . . . 0.576 ' HA ' ' O ' ' A' ' 24' ' ' SER . 70.9 Cg_endo -68.91 151.21 73.82 Favored 'Trans proline' 0 CA--C 1.544 0.992 0 CA-C-N 121.05 1.411 . . . . 0.0 112.322 178.469 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 85' ' ' TYR . . . . . 0.402 ' CB ' HG21 ' A' ' 26' ' ' VAL . 0.0 OUTLIER . . . . . 0 C--N 1.316 -0.849 0 N-CA-C 114.919 1.452 . . . . 0.0 114.919 -172.452 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 32.3 t . . . . . 0 C--O 1.234 0.28 0 N-CA-C 108.203 -1.036 . . . . 0.0 108.203 . . . . . . . . . 0 0 . 1 . 009 nuclear build full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . -87.96 121.12 5.8 Favored Glycine 0 N--CA 1.438 -1.179 0 N-CA-C 108.233 -1.947 . . . . 0.0 108.233 175.405 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 20.1 mtp180 -96.27 -178.45 4.31 Favored 'General case' 0 C--N 1.31 -1.145 0 N-CA-C 113.423 0.897 . . . . 0.0 113.423 -176.279 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 10' ' ' GLU . . . . . 0.524 ' H ' ' CD ' ' A' ' 10' ' ' GLU . 2.4 mp0 -29.87 108.69 0.04 OUTLIER 'General case' 0 N--CA 1.474 0.775 0 C-N-CA 127.882 2.473 . . . . 0.0 111.727 -178.576 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 11' ' ' ASN . . . . . . . . . . . . . 51.1 m-20 -83.03 89.75 6.94 Favored 'General case' 0 C--N 1.307 -1.247 0 CA-C-O 121.219 0.533 . . . . 0.0 111.5 176.636 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 12' ' ' LEU . . . . . 0.414 HD23 ' H ' ' A' ' 12' ' ' LEU . 2.6 pt? -119.74 116.61 26.29 Favored 'General case' 0 C--N 1.303 -1.448 0 N-CA-C 108.306 -0.998 . . . . 0.0 108.306 177.668 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 13' ' ' TYR . . . . . . . . . . . . . 26.5 p90 -97.83 100.05 11.4 Favored 'General case' 0 C--N 1.298 -1.649 0 N-CA-C 107.131 -1.433 . . . . 0.0 107.131 174.451 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 14' ' ' PHE . . . . . . . . . . . . . 1.4 t80 -87.91 -179.62 6.27 Favored 'General case' 0 N--CA 1.429 -1.502 0 N-CA-C 107.183 -1.414 . . . . 0.0 107.183 -175.957 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 49.8 mt-30 -78.2 89.17 4.27 Favored 'General case' 0 C--N 1.318 -0.799 0 N-CA-C 114.906 1.447 . . . . 0.0 114.906 -173.201 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . -135.07 134.11 7.12 Favored Glycine 0 N--CA 1.429 -1.806 0 N-CA-C 105.51 -3.036 . . . . 0.0 105.51 174.283 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 17' ' ' HIS . . . . . . . . . . . . . 53.7 m80 -80.56 136.62 36.3 Favored 'General case' 0 C--N 1.303 -1.422 0 N-CA-C 114.241 1.2 . . . . 0.0 114.241 -172.929 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 18' ' ' MET . . . . . . . . . . . . . 54.4 ttp -83.86 161.35 20.92 Favored 'General case' 0 C--N 1.314 -0.973 0 N-CA-C 106.205 -1.776 . . . . 0.0 106.205 175.891 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -64.77 161.24 18.42 Favored 'General case' 0 N--CA 1.435 -1.222 0 C-N-CA 122.674 0.39 . . . . 0.0 110.38 178.141 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -53.65 124.12 40.71 Favored Pre-proline 0 C--N 1.313 -1.02 0 O-C-N 124.714 1.259 . . . . 0.0 110.532 -178.977 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 21' ' ' PRO . . . . . . . . . . . . . 97.7 Cg_exo -47.1 121.89 5.71 Favored 'Trans proline' 0 C--N 1.358 1.047 0 C-N-CA 123.881 3.054 . . . . 0.0 112.065 179.07 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -67.85 29.94 0.02 OUTLIER 'General case' 0 C--N 1.321 -0.668 0 N-CA-C 116.688 2.107 . . . . 0.0 116.688 -172.581 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 23' ' ' ARG . . . . . 0.628 ' C ' HG12 ' A' ' 44' ' ' ILE . 55.3 mtm180 54.83 30.49 13.86 Favored 'General case' 0 C--N 1.311 -1.089 0 C-N-CA 124.025 0.93 . . . . 0.0 113.262 177.054 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 24' ' ' SER . . . . . 0.68 ' O ' ' HA ' ' A' ' 84' ' ' PRO . 72.6 m -159.61 137.5 10.13 Favored 'General case' 0 C--N 1.322 -0.595 0 C-N-CA 123.761 0.825 . . . . 0.0 109.756 177.227 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 25' ' ' CYS . . . . . . . . . . . . . 98.2 m -107.97 131.41 54.58 Favored 'General case' 0 N--CA 1.441 -0.883 0 N-CA-C 104.919 -2.252 . . . . 0.0 104.919 175.457 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 26' ' ' VAL . . . . . 0.646 ' O ' ' HA ' ' A' ' 82' ' ' ALA . 3.1 t -110.06 125.07 67.27 Favored 'Isoleucine or valine' 0 C--N 1.291 -1.961 0 N-CA-C 107.612 -1.255 . . . . 0.0 107.612 -174.218 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 27' ' ' TYR . . . . . 0.404 ' HA ' ' O ' ' A' ' 81' ' ' ALA . 8.3 m-85 -91.05 132.96 35.69 Favored 'General case' 0 C--N 1.299 -1.606 0 O-C-N 124.324 1.015 . . . . 0.0 110.98 -173.96 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 28' ' ' TYR . . . . . 0.53 ' HB3' ' HB3' ' A' ' 36' ' ' ARG . 37.2 m-85 -124.91 167.3 14.87 Favored 'General case' 0 N--CA 1.424 -1.727 0 CA-C-N 114.509 -1.223 . . . . 0.0 109.999 -178.476 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 29' ' ' ASP . . . . . 0.478 ' HB3' ' HB ' ' A' ' 37' ' ' VAL . 2.8 t0 -121.58 102.55 8.3 Favored 'General case' 0 C--N 1.305 -1.351 0 N-CA-C 105.194 -2.15 . . . . 0.0 105.194 177.803 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . -172.31 141.76 6.46 Favored Glycine 0 CA--C 1.486 -1.767 0 C-N-CA 118.931 -1.604 . . . . 0.0 112.627 177.307 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 31' ' ' HIS . . . . . . . . . . . . . 12.9 t-80 -89.59 -25.51 21.28 Favored 'General case' 0 C--N 1.296 -1.75 0 N-CA-C 108.161 -1.052 . . . . 0.0 108.161 176.767 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 11.2 mp -117.83 143.35 32.36 Favored Pre-proline 0 N--CA 1.436 -1.143 0 N-CA-C 107.439 -1.319 . . . . 0.0 107.439 177.795 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 33' ' ' PRO . . . . . . . . . . . . . 18.8 Cg_exo -52.03 -38.06 69.11 Favored 'Trans proline' 0 N--CA 1.461 -0.424 0 C-N-CA 122.868 2.379 . . . . 0.0 110.757 175.268 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -74.79 -18.02 60.53 Favored 'General case' 0 C--N 1.321 -0.665 0 N-CA-C 113.88 1.067 . . . . 0.0 113.88 -177.326 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 34.0 p -108.08 7.26 27.6 Favored 'General case' 0 C--N 1.322 -0.606 0 N-CA-C 112.663 0.616 . . . . 0.0 112.663 -176.006 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 36' ' ' ARG . . . . . 0.53 ' HB3' ' HB3' ' A' ' 28' ' ' TYR . 81.5 mtm180 -65.46 142.5 58.14 Favored 'General case' 0 C--N 1.326 -0.451 0 CA-C-O 121.559 0.695 . . . . 0.0 112.132 -177.652 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 37' ' ' VAL . . . . . 0.478 ' HB ' ' HB3' ' A' ' 29' ' ' ASP . 61.6 t -114.37 137.55 47.33 Favored 'Isoleucine or valine' 0 C--N 1.304 -1.409 0 N-CA-C 105.866 -1.901 . . . . 0.0 105.866 -179.97 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 1.5 tm? -77.46 113.84 15.68 Favored 'General case' 0 C--N 1.311 -1.104 0 N-CA-C 108.492 -0.929 . . . . 0.0 108.492 -177.077 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 92.3 mt -90.76 -61.71 1.61 Allowed 'General case' 0 C--N 1.32 -0.703 0 C-N-CA 120.24 -0.584 . . . . 0.0 111.192 178.984 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 40' ' ' MET . . . . . . . . . . . . . 7.8 ttp -169.72 157.65 7.09 Favored 'General case' 0 N--CA 1.453 -0.279 0 CA-C-O 120.849 0.357 . . . . 0.0 111.32 -178.484 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 41' ' ' TYR . . . . . . . . . . . . . 12.3 m-85 -94.39 133.58 37.82 Favored 'General case' 0 C--N 1.316 -0.859 0 C-N-CA 124.097 0.959 . . . . 0.0 109.623 178.879 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 22.1 t -124.52 112.57 32.71 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.834 0 N-CA-C 109.022 -0.732 . . . . 0.0 109.022 176.857 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 28.8 ttt-85 -60.46 143.6 53.05 Favored 'General case' 0 C--N 1.308 -1.206 0 C-N-CA 123.921 0.888 . . . . 0.0 109.472 178.972 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 44' ' ' ILE . . . . . 0.628 HG12 ' C ' ' A' ' 23' ' ' ARG . 29.7 mm -67.02 121.02 15.32 Favored 'Isoleucine or valine' 0 C--N 1.313 -1.005 0 N-CA-C 107.695 -1.224 . . . . 0.0 107.695 177.212 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . 98.41 15.11 36.08 Favored Glycine 0 C--N 1.291 -1.925 0 N-CA-C 110.257 -1.137 . . . . 0.0 110.257 179.112 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 46' ' ' ASN . . . . . . . . . . . . . 51.0 t30 -129.6 157.99 40.54 Favored 'General case' 0 C--N 1.312 -1.045 0 CA-C-O 121.206 0.526 . . . . 0.0 109.699 -179.772 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 25.5 p -108.42 151.63 25.77 Favored 'General case' 0 C--N 1.292 -1.911 0 CA-C-N 114.926 -1.033 . . . . 0.0 108.909 176.622 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -148.22 147.84 29.84 Favored 'General case' 0 C--N 1.293 -1.873 0 CA-C-N 115.766 -0.652 . . . . 0.0 109.836 179.132 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 6.8 m -108.11 113.47 26.63 Favored 'General case' 0 C--N 1.298 -1.66 0 N-CA-C 107.785 -1.191 . . . . 0.0 107.785 177.44 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 50' ' ' ILE . . . . . 0.559 ' O ' ' HA ' ' A' ' 56' ' ' GLU . 19.9 mm -95.45 119.74 43.91 Favored 'Isoleucine or valine' 0 CA--C 1.498 -1.022 0 CA-C-N 115.205 -0.907 . . . . 0.0 108.716 -172.792 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 5.6 m -96.2 124.63 40.27 Favored 'General case' 0 C--N 1.293 -1.867 0 N-CA-C 107.208 -1.405 . . . . 0.0 107.208 174.436 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -146.24 121.79 10.41 Favored 'General case' 0 C--N 1.307 -1.269 0 N-CA-C 106.542 -1.651 . . . . 0.0 106.542 177.45 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 53' ' ' ARG . . . . . 0.516 ' HG2' ' O ' ' A' ' 53' ' ' ARG . 32.9 ttt180 65.02 24.45 12.59 Favored 'General case' 0 CA--C 1.545 0.782 0 CA-C-O 123.965 1.841 . . . . 0.0 109.851 -178.519 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . 80.48 4.96 90.09 Favored Glycine 0 C--N 1.295 -1.728 0 CA-C-N 114.358 -1.292 . . . . 0.0 112.074 -177.972 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 55' ' ' HIS . . . . . . . . . . . . . 54.4 m-70 -100.08 127.83 46.26 Favored 'General case' 0 C--N 1.32 -0.711 0 N-CA-C 107.873 -1.158 . . . . 0.0 107.873 177.617 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 56' ' ' GLU . . . . . 0.559 ' HA ' ' O ' ' A' ' 50' ' ' ILE . 11.0 mt-10 -97.09 132.27 43.05 Favored 'General case' 0 C--N 1.305 -1.328 0 CA-C-O 121.206 0.526 . . . . 0.0 110.363 176.783 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 57' ' ' PHE . . . . . . . . . . . . . 89.4 m-85 -118.14 113.03 20.95 Favored 'General case' 0 C--N 1.309 -1.172 0 N-CA-C 107.848 -1.167 . . . . 0.0 107.848 178.826 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 58' ' ' GLU . . . . . 0.464 ' HG2' HG21 ' A' ' 71' ' ' THR . 35.7 tt0 -86.0 110.92 19.81 Favored 'General case' 0 N--CA 1.435 -1.214 0 N-CA-C 106.07 -1.826 . . . . 0.0 106.07 177.016 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 59' ' ' VAL . . . . . 0.608 HG12 HD13 ' A' ' 70' ' ' LEU . 20.7 m -112.16 162.57 9.96 Favored 'Isoleucine or valine' 0 C--N 1.299 -1.597 0 CA-C-N 115.531 -0.759 . . . . 0.0 109.728 -178.271 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 60' ' ' GLU . . . . . 0.483 ' HB2' HG22 ' A' ' 71' ' ' THR . 35.5 tt0 -132.6 109.89 10.06 Favored 'General case' 0 C--N 1.291 -1.941 0 N-CA-C 106.403 -1.703 . . . . 0.0 106.403 178.177 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -78.91 88.9 4.7 Favored 'General case' 0 C--N 1.311 -1.066 0 N-CA-C 105.877 -1.898 . . . . 0.0 105.877 175.387 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 7.6 mtmp? -73.0 -45.76 56.06 Favored 'General case' 0 C--N 1.311 -1.072 0 CA-C-N 114.892 -1.049 . . . . 0.0 111.188 -174.721 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 29.3 t70 -144.03 164.43 30.65 Favored 'General case' 0 C--N 1.303 -1.435 0 CA-C-N 114.343 -1.299 . . . . 0.0 109.709 -174.243 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 64' ' ' GLN . . . . . . . . . . . . . 0.8 OUTLIER -66.82 10.75 0.12 Allowed 'General case' 0 N--CA 1.47 0.528 0 C-N-CA 126.155 1.782 . . . . 0.0 114.795 -178.251 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 65' ' ' ASN . . . . . . . . . . . . . 5.0 t-20 -63.34 -38.63 91.89 Favored 'General case' 0 C--N 1.319 -0.74 0 C-N-CA 124.858 1.263 . . . . 0.0 107.768 175.023 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 66' ' ' CYS . . . . . 0.611 ' O ' ' HB3' ' A' ' 82' ' ' ALA 0.252 82.8 m 59.49 25.46 14.26 Favored 'General case' 0 C--N 1.326 -0.416 0 N-CA-C 115.73 1.752 . . . . 0.0 115.73 178.799 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 5.1 mptp? -78.29 156.54 29.6 Favored 'General case' 0 C--N 1.294 -1.814 0 N-CA-C 108.027 -1.101 . . . . 0.0 108.027 167.881 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 68' ' ' VAL . . . . . 0.489 HG21 HD23 ' A' ' 80' ' ' LEU . 6.1 p -73.06 108.36 4.33 Favored 'Isoleucine or valine' 0 C--N 1.286 -2.164 0 CA-C-N 115.152 -0.931 . . . . 0.0 108.824 178.145 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 69' ' ' ILE . . . . . . . . . . . . . 97.0 mt -121.48 118.64 56.57 Favored 'Isoleucine or valine' 0 C--N 1.303 -1.44 0 N-CA-C 107.196 -1.409 . . . . 0.0 107.196 177.9 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 70' ' ' LEU . . . . . 0.809 HD21 ' HB2' ' A' ' 76' ' ' ALA . 3.2 mm? -81.92 157.0 24.48 Favored 'General case' 0 N--CA 1.425 -1.693 0 CA-C-N 115.244 -0.889 . . . . 0.0 109.489 -179.625 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 71' ' ' THR . . . . . 0.483 HG22 ' HB2' ' A' ' 60' ' ' GLU . 50.5 p -69.79 -22.7 63.3 Favored 'General case' 0 C--N 1.283 -2.285 0 CA-C-N 114.227 -1.351 . . . . 0.0 111.361 177.25 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 72' ' ' ASN . . . . . 0.467 ' HB2' ' HG2' ' A' ' 74' ' ' LYS . 44.0 m-80 -94.95 -6.32 42.72 Favored 'General case' 0 C--N 1.315 -0.921 0 CA-C-N 114.912 -1.04 . . . . 0.0 109.283 -179.344 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 73' ' ' GLY . . . . . . . . . . . . . . . 79.32 20.79 68.66 Favored Glycine 0 CA--C 1.502 -0.776 0 CA-C-O 122.398 0.999 . . . . 0.0 110.686 175.407 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 74' ' ' LYS . . . . . 0.469 ' O ' HD23 ' A' ' 70' ' ' LEU . 30.1 mmmt -76.24 164.03 26.46 Favored 'General case' 0 N--CA 1.425 -1.71 0 CA-C-N 113.604 -1.298 . . . . 0.0 110.524 -176.961 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 75' ' ' GLN . . . . . . . . . . . . . 17.9 mp0 -94.74 126.46 40.06 Favored 'General case' 0 C--N 1.291 -1.968 0 CA-C-N 114.745 -1.116 . . . . 0.0 108.008 174.051 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 76' ' ' ALA . . . . . 0.809 ' HB2' HD21 ' A' ' 70' ' ' LEU . . . -103.96 159.49 29.14 Favored Pre-proline 0 C--N 1.298 -1.658 0 N-CA-C 107.977 -1.119 . . . . 0.0 107.977 179.57 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 77' ' ' PRO . . . . . . . . . . . . . 1.9 Cg_endo -45.38 146.44 3.16 Favored 'Trans proline' 0 C--N 1.347 0.488 0 C-N-CA 124.191 3.261 . . . . 0.0 113.934 176.762 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 78' ' ' ASP . . . . . . . . . . . . . 32.3 t70 -68.01 -22.34 64.99 Favored 'General case' 0 C--N 1.321 -0.638 0 CA-C-O 121.664 0.745 . . . . 0.0 111.239 -178.072 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 79' ' ' TRP . . . . . . . . . . . . . 52.1 p-90 -80.94 -8.65 59.8 Favored 'General case' 0 C--N 1.323 -0.562 0 CA-C-N 115.814 -0.63 . . . . 0.0 111.848 177.609 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 80' ' ' LEU . . . . . 0.53 HD23 ' HB1' ' A' ' 76' ' ' ALA . 23.2 tp -84.45 103.54 13.69 Favored 'General case' 0 N--CA 1.435 -1.192 0 N-CA-C 107.851 -1.166 . . . . 0.0 107.851 -179.872 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 81' ' ' ALA . . . . . 0.404 ' O ' ' HA ' ' A' ' 27' ' ' TYR . . . -111.35 170.01 8.41 Favored 'General case' 0 CA--C 1.499 -1.016 0 CA-C-N 115.279 -0.873 . . . . 0.0 111.77 -174.147 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 82' ' ' ALA . . . . . 0.646 ' HA ' ' O ' ' A' ' 26' ' ' VAL . . . -158.32 137.21 11.34 Favored 'General case' 0 C--N 1.308 -1.233 0 CA-C-N 114.436 -1.256 . . . . 0.0 110.061 175.276 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 83' ' ' GLU . . . . . 0.401 ' HG2' ' CE2' ' A' ' 28' ' ' TYR . 12.3 pt-20 -138.47 146.99 53.4 Favored Pre-proline 0 C--N 1.307 -1.268 0 N-CA-C 105.325 -2.102 . . . . 0.0 105.325 176.989 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 84' ' ' PRO . . . . . 0.68 ' HA ' ' O ' ' A' ' 24' ' ' SER . 73.9 Cg_endo -67.06 135.25 36.84 Favored 'Trans proline' 0 N--CA 1.448 -1.178 0 CA-C-N 120.695 1.284 . . . . 0.0 109.8 176.702 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 85' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 C--O 1.249 1.028 0 O-C-N 124.405 1.065 . . . . 0.0 113.387 -172.464 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 9.1 m . . . . . 0 CA--C 1.536 0.436 0 CA-C-O 120.587 0.232 . . . . 0.0 110.798 . . . . . . . . . 0 0 . 1 . 010 nuclear build full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . -74.39 -179.56 41.45 Favored Glycine 0 N--CA 1.438 -1.205 0 N-CA-C 110.747 -0.941 . . . . 0.0 110.747 177.743 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 16.1 ptt180 -134.38 143.01 47.37 Favored 'General case' 0 C--N 1.303 -1.456 0 CA-C-O 122.217 1.008 . . . . 0.0 113.201 -177.379 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 9.3 pt-20 -149.77 146.12 27.01 Favored 'General case' 0 C--N 1.301 -1.529 0 N-CA-C 105.65 -1.982 . . . . 0.0 105.65 175.409 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 11' ' ' ASN . . . . . . . . . . . . . 28.2 t-20 -93.42 89.68 6.43 Favored 'General case' 0 C--N 1.3 -1.554 0 N-CA-C 108.377 -0.972 . . . . 0.0 108.377 177.611 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 12' ' ' LEU . . . . . 0.611 HD23 ' H ' ' A' ' 12' ' ' LEU . 2.3 pt? -92.5 90.11 7.03 Favored 'General case' 0 C--N 1.305 -1.338 0 CA-C-O 123.503 1.621 . . . . 0.0 107.115 177.479 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 13' ' ' TYR . . . . . . . . . . . . . 33.7 t80 -88.88 89.91 8.19 Favored 'General case' 0 C--N 1.289 -2.031 0 CA-C-N 113.857 -1.52 . . . . 0.0 109.375 -173.898 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 14' ' ' PHE . . . . . . . . . . . . . 76.4 m-85 -122.41 88.25 2.9 Favored 'General case' 0 C--N 1.308 -1.238 0 CA-C-N 115.405 -0.816 . . . . 0.0 109.543 175.011 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 15' ' ' GLN . . . . . 0.465 ' CG ' ' HE2' ' A' ' 62' ' ' LYS . 13.7 mp0 -150.78 89.15 1.52 Allowed 'General case' 0 C--N 1.311 -1.084 0 N-CA-C 103.718 -2.697 . . . . 0.0 103.718 171.84 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . -110.49 -179.79 20.48 Favored Glycine 0 C--N 1.3 -1.439 0 C-N-CA 119.367 -1.397 . . . . 0.0 114.852 -175.403 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 17' ' ' HIS . . . . . . . . . . . . . 76.3 m80 -134.86 102.95 5.42 Favored 'General case' 0 C--N 1.32 -0.68 0 N-CA-C 107.446 -1.316 . . . . 0.0 107.446 179.022 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 18' ' ' MET . . . . . . . . . . . . . 23.4 ttt -150.74 161.84 41.85 Favored 'General case' 0 C--N 1.307 -1.241 0 N-CA-C 107.235 -1.394 . . . . 0.0 107.235 -177.947 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -68.5 93.67 0.51 Allowed 'General case' 0 N--CA 1.45 -0.443 0 N-CA-C 103.09 -2.93 . . . . 0.0 103.09 165.554 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -95.42 165.08 17.49 Favored Pre-proline 0 C--N 1.294 -1.833 0 CA-C-N 114.424 -1.262 . . . . 0.0 112.714 -166.87 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 21' ' ' PRO . . . . . 0.403 ' HD2' ' HB2' ' A' ' 64' ' ' GLN . 66.9 Cg_exo -47.14 175.86 0.02 OUTLIER 'Trans proline' 0 C--N 1.353 0.809 0 C-N-CA 123.354 2.702 . . . . 0.0 111.962 166.908 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -61.52 28.14 0.01 OUTLIER 'General case' 0 C--N 1.305 -1.327 0 N-CA-C 119.696 3.221 . . . . 0.0 119.696 -168.294 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 23' ' ' ARG . . . . . 0.406 ' HA ' HD12 ' A' ' 44' ' ' ILE . 39.4 ttp-105 45.12 39.64 4.12 Favored 'General case' 0 C--N 1.312 -1.031 0 C-N-CA 126.267 1.827 . . . . 0.0 112.711 174.114 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 24' ' ' SER . . . . . 0.734 ' O ' ' HA ' ' A' ' 84' ' ' PRO . 24.5 m -144.3 131.66 20.84 Favored 'General case' 0 C--N 1.319 -0.752 0 O-C-N 121.564 -0.71 . . . . 0.0 109.367 -179.597 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 25' ' ' CYS . . . . . . . . . . . . . 93.1 m -108.63 130.39 55.32 Favored 'General case' 0 N--CA 1.431 -1.423 0 N-CA-C 106.932 -1.507 . . . . 0.0 106.932 175.074 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 26' ' ' VAL . . . . . 0.694 HG21 ' HB2' ' A' ' 85' ' ' TYR . 12.2 t -112.43 119.07 59.39 Favored 'Isoleucine or valine' 0 C--N 1.291 -1.969 0 N-CA-C 106.991 -1.485 . . . . 0.0 106.991 -174.125 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 27' ' ' TYR . . . . . 0.448 ' HA ' ' O ' ' A' ' 81' ' ' ALA . 42.4 m-85 -92.64 129.25 38.62 Favored 'General case' 0 C--N 1.3 -1.571 0 O-C-N 124.367 1.042 . . . . 0.0 111.425 -173.677 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 28' ' ' TYR . . . . . 0.49 ' HA ' ' O ' ' A' ' 37' ' ' VAL . 95.9 m-85 -123.74 138.2 54.56 Favored 'General case' 0 N--CA 1.421 -1.876 0 CA-C-N 114.947 -1.024 . . . . 0.0 110.251 -179.895 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 29' ' ' ASP . . . . . 0.479 ' HB3' ' HB ' ' A' ' 37' ' ' VAL . 4.3 t0 -93.58 102.06 14.25 Favored 'General case' 0 C--N 1.299 -1.621 0 N-CA-C 107.527 -1.286 . . . . 0.0 107.527 174.21 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 30' ' ' GLY . . . . . 0.517 ' O ' ' HA ' ' A' ' 79' ' ' TRP . . . -170.93 128.57 1.64 Allowed Glycine 0 CA--C 1.467 -2.949 0 C-N-CA 119.523 -1.322 . . . . 0.0 110.89 178.241 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 31' ' ' HIS . . . . . . . . . . . . . 4.9 t-80 -78.48 -19.33 53.3 Favored 'General case' 0 C--N 1.29 -2.007 0 N-CA-C 106.778 -1.564 . . . . 0.0 106.778 -179.757 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 8.6 mp -130.74 143.37 49.08 Favored Pre-proline 0 N--CA 1.429 -1.48 0 N-CA-C 106.198 -1.779 . . . . 0.0 106.198 177.074 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 33' ' ' PRO . . . . . 0.608 ' O ' ' HD2' ' A' ' 36' ' ' ARG . 22.7 Cg_endo -66.83 -7.24 17.78 Favored 'Trans proline' 0 CA--C 1.537 0.651 0 C-N-CA 122.522 2.148 . . . . 0.0 111.071 174.271 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -74.83 -54.04 8.03 Favored 'General case' 0 C--N 1.321 -0.642 0 CA-C-O 121.041 0.448 . . . . 0.0 110.552 175.021 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 5.7 p -97.54 22.58 8.73 Favored 'General case' 0 C--N 1.318 -0.765 0 N-CA-C 113.853 1.057 . . . . 0.0 113.853 -173.882 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 36' ' ' ARG . . . . . 0.608 ' HD2' ' O ' ' A' ' 33' ' ' PRO . 0.0 OUTLIER -65.34 153.75 40.28 Favored 'General case' 0 CA--C 1.544 0.75 0 N-CA-C 112.554 0.576 . . . . 0.0 112.554 -178.87 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 37' ' ' VAL . . . . . 0.49 ' O ' ' HA ' ' A' ' 28' ' ' TYR . 60.5 t -131.96 141.85 44.45 Favored 'Isoleucine or valine' 0 C--O 1.216 -0.707 0 N-CA-C 107.054 -1.461 . . . . 0.0 107.054 -179.213 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 53.9 tp -73.84 123.19 23.72 Favored 'General case' 0 C--N 1.306 -1.285 0 C-N-CA 120.119 -0.632 . . . . 0.0 109.889 177.003 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 95.7 mt -91.17 -60.86 1.79 Allowed 'General case' 0 C--N 1.304 -1.406 0 N-CA-C 109.166 -0.679 . . . . 0.0 109.166 173.929 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 40' ' ' MET . . . . . . . . . . . . . 21.2 ptp -172.52 169.54 5.11 Favored 'General case' 0 CA--C 1.508 -0.654 0 CA-C-O 121.49 0.662 . . . . 0.0 111.782 -176.622 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 41' ' ' TYR . . . . . . . . . . . . . 50.8 m-85 -107.69 130.34 54.94 Favored 'General case' 0 C--N 1.307 -1.241 0 CA-C-N 113.699 -1.592 . . . . 0.0 108.903 176.154 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 42.3 t -118.42 134.8 60.88 Favored 'Isoleucine or valine' 0 C--N 1.305 -1.331 0 N-CA-C 106.354 -1.721 . . . . 0.0 106.354 176.364 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 43' ' ' ARG . . . . . 0.404 ' HD2' ' HA ' ' A' ' 43' ' ' ARG . 11.4 tpt180 -81.56 129.92 34.86 Favored 'General case' 0 C--N 1.303 -1.414 0 N-CA-C 106.731 -1.581 . . . . 0.0 106.731 -178.815 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 44' ' ' ILE . . . . . 0.406 HD12 ' HA ' ' A' ' 23' ' ' ARG . 55.5 mt -57.4 120.54 3.79 Favored 'Isoleucine or valine' 0 C--N 1.315 -0.92 0 CA-C-O 122.359 1.076 . . . . 0.0 112.538 -179.918 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . 125.69 -26.4 5.42 Favored Glycine 0 N--CA 1.428 -1.851 0 CA-C-N 112.777 -2.01 . . . . 0.0 108.893 -179.572 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 46' ' ' ASN . . . . . . . . . . . . . 62.9 t30 -101.31 166.24 10.86 Favored 'General case' 0 C--N 1.319 -0.731 0 CA-C-O 122.082 0.944 . . . . 0.0 112.421 -171.661 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 13.3 p -104.28 160.97 14.45 Favored 'General case' 0 C--N 1.297 -1.682 0 CA-C-N 114.01 -1.45 . . . . 0.0 109.724 179.019 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -157.83 146.3 19.12 Favored 'General case' 0 C--N 1.305 -1.335 0 CA-C-N 115.938 -0.574 . . . . 0.0 111.316 176.699 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 4.9 m -99.06 108.83 21.59 Favored 'General case' 0 C--N 1.313 -1.016 0 N-CA-C 107.515 -1.291 . . . . 0.0 107.515 177.758 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 50' ' ' ILE . . . . . . . . . . . . . 6.9 mm -96.85 110.53 25.06 Favored 'Isoleucine or valine' 0 C--N 1.307 -1.274 0 N-CA-C 108.571 -0.9 . . . . 0.0 108.571 -177.608 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 51' ' ' THR . . . . . 0.461 ' HA ' ' O ' ' A' ' 55' ' ' HIS . 66.8 m -92.06 124.73 36.38 Favored 'General case' 0 C--N 1.3 -1.584 0 C-N-CA 117.895 -1.522 . . . . 0.0 108.207 172.531 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -146.41 123.21 11.26 Favored 'General case' 0 C--N 1.303 -1.433 0 N-CA-C 107.118 -1.438 . . . . 0.0 107.118 177.757 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 53' ' ' ARG . . . . . . . . . . . . . 79.3 mtt85 62.77 23.37 13.93 Favored 'General case' 0 N--CA 1.476 0.855 0 C-N-CA 124.025 0.93 . . . . 0.0 111.019 -177.799 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . 79.69 12.93 83.06 Favored Glycine 0 N--CA 1.443 -0.867 0 CA-C-N 115.058 -0.974 . . . . 0.0 112.539 -177.562 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 55' ' ' HIS . . . . . 0.461 ' O ' ' HA ' ' A' ' 51' ' ' THR . 6.9 m170 -103.6 127.46 51.03 Favored 'General case' 0 CA--C 1.508 -0.665 0 N-CA-C 106.526 -1.657 . . . . 0.0 106.526 176.587 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 3.1 mp0 -90.26 116.61 28.37 Favored 'General case' 0 C--N 1.31 -1.146 0 N-CA-C 109.343 -0.614 . . . . 0.0 109.343 170.985 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 57' ' ' PHE . . . . . 0.459 ' HB3' HD11 ' A' ' 70' ' ' LEU . 98.6 m-85 -104.49 105.37 15.45 Favored 'General case' 0 N--CA 1.425 -1.696 0 N-CA-C 105.182 -2.155 . . . . 0.0 105.182 175.772 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 21.0 tt0 -96.56 110.26 22.7 Favored 'General case' 0 C--N 1.297 -1.703 0 C-N-CA 117.885 -1.526 . . . . 0.0 107.294 -179.161 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 59' ' ' VAL . . . . . 0.591 HG12 HD13 ' A' ' 70' ' ' LEU . 35.5 m -107.43 169.44 2.85 Favored 'Isoleucine or valine' 0 C--N 1.301 -1.532 0 CA-C-N 114.271 -1.331 . . . . 0.0 110.886 -173.799 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 41.9 tt0 -131.2 103.5 6.52 Favored 'General case' 0 N--CA 1.417 -2.097 0 N-CA-C 104.928 -2.249 . . . . 0.0 104.928 172.668 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -78.03 88.17 4.17 Favored 'General case' 0 C--N 1.313 -0.98 0 N-CA-C 106.114 -1.809 . . . . 0.0 106.114 179.149 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 62' ' ' LYS . . . . . 0.465 ' HE2' ' CG ' ' A' ' 15' ' ' GLN . 13.5 ptmt -96.83 -24.86 15.69 Favored 'General case' 0 C--N 1.298 -1.65 0 N-CA-C 117.541 2.423 . . . . 0.0 117.541 -172.802 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 21.9 t70 -135.38 159.4 41.68 Favored 'General case' 0 C--N 1.314 -0.971 0 C-N-CA 119.268 -0.973 . . . . 0.0 110.654 -175.307 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 64' ' ' GLN . . . . . 0.403 ' HB2' ' HD2' ' A' ' 21' ' ' PRO . 18.4 pt20 -58.56 -20.15 44.18 Favored 'General case' 0 N--CA 1.467 0.419 0 C-N-CA 126.298 1.839 . . . . 0.0 113.292 -178.863 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 65' ' ' ASN . . . . . . . . . . . . . 36.5 m-80 -74.57 -18.05 60.63 Favored 'General case' 0 C--N 1.319 -0.761 0 N-CA-C 109.351 -0.611 . . . . 0.0 109.351 179.957 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 66' ' ' CYS . . . . . . . . . . . . . 99.0 m 53.5 40.79 31.87 Favored 'General case' 0 CA--C 1.51 -0.589 0 CA-C-O 122.336 1.065 . . . . 0.0 111.877 -179.882 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 67' ' ' LYS . . . . . 0.499 ' HA ' ' HE3' ' A' ' 67' ' ' LYS . 0.1 OUTLIER -64.36 134.39 54.52 Favored 'General case' 0 N--CA 1.415 -2.192 0 N-CA-C 105.5 -2.037 . . . . 0.0 105.5 174.249 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 68' ' ' VAL . . . . . . . . . . . . . 6.2 p -77.24 99.51 2.38 Favored 'Isoleucine or valine' 0 C--N 1.295 -1.769 0 CA-C-O 122.292 1.044 . . . . 0.0 109.107 -179.872 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 69' ' ' ILE . . . . . . . . . . . . . 83.0 mt -115.63 118.37 58.56 Favored 'Isoleucine or valine' 0 N--CA 1.427 -1.622 0 N-CA-C 106.641 -1.615 . . . . 0.0 106.641 -179.944 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 70' ' ' LEU . . . . . 0.788 HD21 ' HB2' ' A' ' 76' ' ' ALA . 3.2 mm? -81.22 138.61 35.79 Favored 'General case' 0 N--CA 1.42 -1.975 0 CA-C-N 114.272 -1.331 . . . . 0.0 110.049 178.442 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 71' ' ' THR . . . . . . . . . . . . . 6.2 t -83.36 0.39 46.17 Favored 'General case' 0 C--N 1.287 -2.13 0 CA-C-N 113.477 -1.692 . . . . 0.0 108.912 -175.883 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 72' ' ' ASN . . . . . . . . . . . . . 87.1 m-20 -96.27 -2.98 44.88 Favored 'General case' 0 C--O 1.235 0.295 0 CA-C-N 114.31 -1.314 . . . . 0.0 109.073 177.363 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 73' ' ' GLY . . . . . . . . . . . . . . . 85.72 24.92 40.3 Favored Glycine 0 CA--C 1.498 -1.021 0 N-CA-C 109.843 -1.303 . . . . 0.0 109.843 177.619 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 43.6 mmtm -106.4 165.9 10.93 Favored 'General case' 0 N--CA 1.43 -1.459 0 CA-C-N 113.929 -1.135 . . . . 0.0 109.812 -177.758 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 75' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -118.51 145.88 44.97 Favored 'General case' 0 C--N 1.302 -1.471 0 N-CA-C 103.016 -2.957 . . . . 0.0 103.016 174.82 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 76' ' ' ALA . . . . . 0.788 ' HB2' HD21 ' A' ' 70' ' ' LEU . . . -108.22 156.75 37.89 Favored Pre-proline 0 C--N 1.311 -1.089 0 CA-C-N 118.89 0.768 . . . . 0.0 111.988 -173.59 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 77' ' ' PRO . . . . . 0.405 ' HB2' ' CD1' ' A' ' 79' ' ' TRP . 37.0 Cg_exo -60.8 164.89 12.83 Favored 'Trans proline' 0 C--N 1.356 0.972 0 C-N-CA 123.408 2.739 . . . . 0.0 112.409 178.589 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 78' ' ' ASP . . . . . . . . . . . . . 19.9 m-20 -59.63 -31.17 69.26 Favored 'General case' 0 CA--C 1.509 -0.607 0 C-N-CA 123.66 0.784 . . . . 0.0 111.541 -177.025 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 79' ' ' TRP . . . . . 0.517 ' HA ' ' O ' ' A' ' 30' ' ' GLY . 68.5 p-90 -72.22 -14.31 61.76 Favored 'General case' 0 N--CA 1.441 -0.908 0 N-CA-C 113.215 0.82 . . . . 0.0 113.215 -178.037 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 80' ' ' LEU . . . . . 0.423 HD12 ' HA ' ' A' ' 80' ' ' LEU . 30.6 tp -92.75 100.21 12.74 Favored 'General case' 0 N--CA 1.43 -1.46 0 C-N-CA 118.556 -1.257 . . . . 0.0 108.094 178.137 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 81' ' ' ALA . . . . . 0.448 ' O ' ' HA ' ' A' ' 27' ' ' TYR . . . -103.9 160.55 14.71 Favored 'General case' 0 C--N 1.306 -1.297 0 CA-C-N 115.376 -0.829 . . . . 0.0 111.594 -176.34 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 82' ' ' ALA . . . . . 0.577 ' HA ' ' O ' ' A' ' 26' ' ' VAL . . . -154.03 131.21 11.11 Favored 'General case' 0 C--N 1.31 -1.141 0 CA-C-N 114.489 -1.232 . . . . 0.0 109.144 177.086 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 7.5 pt-20 -144.5 146.47 32.66 Favored Pre-proline 0 C--O 1.213 -0.835 0 N-CA-C 108.743 -0.836 . . . . 0.0 108.743 179.618 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 84' ' ' PRO . . . . . 0.734 ' HA ' ' O ' ' A' ' 24' ' ' SER . 18.0 Cg_endo -61.48 132.63 41.68 Favored 'Trans proline' 0 C--O 1.243 0.77 0 C-N-CA 123.266 2.644 . . . . 0.0 114.792 174.027 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 85' ' ' TYR . . . . . 0.694 ' HB2' HG21 ' A' ' 26' ' ' VAL . 10.4 t80 . . . . . 0 C--O 1.249 1.078 0 N-CA-C 105.834 -1.913 . . . . 0.0 105.834 170.215 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 16.2 m . . . . . 0 N--CA 1.442 -0.833 0 N-CA-C 108.32 -0.993 . . . . 0.0 108.32 . . . . . . . . . 0 0 . 1 . 011 nuclear build full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . -100.86 155.17 19.27 Favored Glycine 0 N--CA 1.428 -1.837 0 N-CA-C 107.921 -2.071 . . . . 0.0 107.921 176.735 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 9' ' ' ARG . . . . . 0.487 ' HD2' ' N ' ' A' ' 9' ' ' ARG . 3.6 mpt_? -99.07 97.4 8.54 Favored 'General case' 0 C--N 1.301 -1.539 0 CA-C-O 121.418 0.627 . . . . 0.0 111.236 -177.669 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 29.9 tt0 -72.22 149.65 44.4 Favored 'General case' 0 C--N 1.312 -1.028 0 N-CA-C 105.776 -1.935 . . . . 0.0 105.776 177.166 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 11' ' ' ASN . . . . . . . . . . . . . 44.4 m-80 -58.78 112.5 1.66 Allowed 'General case' 0 CA--C 1.505 -0.783 0 CA-C-O 121.054 0.454 . . . . 0.0 110.19 -177.503 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 4.4 pp -75.3 154.36 37.43 Favored 'General case' 0 N--CA 1.434 -1.257 0 CA-C-N 114.782 -1.099 . . . . 0.0 112.595 -172.402 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 13' ' ' TYR . . . . . . . . . . . . . 87.4 m-85 -134.33 147.23 50.52 Favored 'General case' 0 C--N 1.292 -1.914 0 N-CA-C 104.529 -2.397 . . . . 0.0 104.529 178.923 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 14' ' ' PHE . . . . . . . . . . . . 0.259 66.5 m-85 -74.22 122.85 23.46 Favored 'General case' 0 C--N 1.302 -1.495 0 C-N-CA 118.941 -1.104 . . . . 0.0 111.058 -177.142 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 46.6 mt-30 -63.96 133.91 54.09 Favored 'General case' 0 N--CA 1.436 -1.164 0 CA-C-N 112.813 -1.994 . . . . 0.0 112.415 -173.065 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . -63.33 -179.69 5.32 Favored Glycine 0 N--CA 1.448 -0.535 0 CA-C-N 113.726 -1.579 . . . . 0.0 112.277 177.425 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 17' ' ' HIS . . . . . . . . . . . . . 69.1 m-70 -29.61 108.26 0.04 OUTLIER 'General case' 0 N--CA 1.478 0.965 0 C-N-CA 125.842 1.657 . . . . 0.0 115.122 -171.831 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 18' ' ' MET . . . . . . . . . . . . . 71.2 mmm -84.06 178.36 7.88 Favored 'General case' 0 C--O 1.245 0.819 0 CA-C-N 113.898 -1.501 . . . . 0.0 106.957 179.61 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 19' ' ' ALA . . . . . 0.416 ' HB3' ' O ' ' A' ' 84' ' ' PRO . . . -73.97 178.54 4.88 Favored 'General case' 0 C--N 1.303 -1.448 0 N-CA-C 114.17 1.174 . . . . 0.0 114.17 -176.487 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -93.57 141.88 24.45 Favored Pre-proline 0 C--N 1.312 -1.038 0 CA-C-N 114.627 -1.17 . . . . 0.0 111.129 -177.436 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 21' ' ' PRO . . . . . . . . . . . . . 98.8 Cg_exo -49.18 118.08 3.32 Favored 'Trans proline' 0 C--N 1.361 1.186 0 C-N-CA 124.134 3.222 . . . . 0.0 113.471 179.472 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -136.48 32.73 2.78 Favored 'General case' 0 C--N 1.326 -0.456 0 CA-C-N 115.439 -0.801 . . . . 0.0 112.576 -172.45 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 23' ' ' ARG . . . . . 0.614 ' C ' HG12 ' A' ' 44' ' ' ILE . 18.4 mmt180 58.54 26.06 13.89 Favored 'General case' 0 C--N 1.317 -0.807 0 N-CA-C 115.557 1.688 . . . . 0.0 115.557 177.993 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 24' ' ' SER . . . . . 0.653 ' O ' ' HA ' ' A' ' 84' ' ' PRO . 68.0 m -158.31 136.25 10.6 Favored 'General case' 0 C--N 1.299 -1.607 0 N-CA-C 107.979 -1.119 . . . . 0.0 107.979 174.274 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 25' ' ' CYS . . . . . . . . . . . . . 96.5 m -107.55 131.17 54.63 Favored 'General case' 0 N--CA 1.437 -1.124 0 N-CA-C 104.077 -2.564 . . . . 0.0 104.077 175.436 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 26' ' ' VAL . . . . . 0.592 ' O ' ' HA ' ' A' ' 82' ' ' ALA . 3.5 t -111.51 124.27 68.12 Favored 'Isoleucine or valine' 0 C--N 1.284 -2.267 0 N-CA-C 107.322 -1.362 . . . . 0.0 107.322 -172.811 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 27' ' ' TYR . . . . . 0.48 ' HA ' ' O ' ' A' ' 81' ' ' ALA . 15.7 m-85 -94.71 130.42 41.23 Favored 'General case' 0 C--N 1.295 -1.788 0 O-C-N 124.41 1.068 . . . . 0.0 110.355 -173.689 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 28' ' ' TYR . . . . . 0.414 ' HA ' ' O ' ' A' ' 37' ' ' VAL . 84.6 m-85 -127.41 153.76 45.86 Favored 'General case' 0 N--CA 1.422 -1.86 0 CA-C-N 114.249 -1.341 . . . . 0.0 110.381 -177.188 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 29' ' ' ASP . . . . . 0.456 ' HB3' ' HB ' ' A' ' 37' ' ' VAL . 3.4 t70 -94.76 103.97 15.88 Favored 'General case' 0 C--N 1.293 -1.885 0 N-CA-C 103.418 -2.808 . . . . 0.0 103.418 170.125 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . -144.03 127.77 3.1 Favored Glycine 0 CA--C 1.484 -1.846 0 C-N-CA 118.294 -1.907 . . . . 0.0 114.14 -176.439 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 31' ' ' HIS . . . . . . . . . . . . . 63.8 m80 -102.74 -39.88 6.83 Favored 'General case' 0 C--N 1.292 -1.9 0 CA-C-N 112.652 -1.774 . . . . 0.0 108.65 179.818 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 32' ' ' LEU . . . . . 0.524 ' HB3' ' OG1' ' A' ' 35' ' ' THR . 8.2 tt -131.29 149.05 72.53 Favored Pre-proline 0 N--CA 1.42 -1.969 0 N-CA-C 104.219 -2.511 . . . . 0.0 104.219 -179.211 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 33' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -54.41 -13.99 6.22 Favored 'Trans proline' 0 N--CA 1.492 1.409 0 C-N-CA 124.279 3.32 . . . . 0.0 116.563 -176.169 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -95.0 -25.43 16.5 Favored 'General case' 0 C--N 1.31 -1.137 0 CA-C-O 122.114 0.959 . . . . 0.0 110.359 179.202 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 35' ' ' THR . . . . . 0.524 ' OG1' ' HB3' ' A' ' 32' ' ' LEU . 0.2 OUTLIER -95.27 7.53 45.89 Favored 'General case' 0 C--N 1.304 -1.4 0 CA-C-N 115.019 -0.991 . . . . 0.0 113.2 -169.724 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 9.7 ptt180 -64.86 110.99 2.61 Favored 'General case' 0 C--N 1.322 -0.611 0 CA-C-O 121.541 0.686 . . . . 0.0 111.81 178.353 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 37' ' ' VAL . . . . . 0.456 ' HB ' ' HB3' ' A' ' 29' ' ' ASP . 40.2 t -94.92 129.78 44.62 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.821 0 N-CA-C 107.815 -1.18 . . . . 0.0 107.815 -175.923 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 2.7 tm? -69.69 108.02 3.71 Favored 'General case' 0 C--N 1.311 -1.09 0 O-C-N 123.863 0.727 . . . . 0.0 109.151 -177.518 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 92.8 mt -91.55 -61.06 1.72 Allowed 'General case' 0 C--N 1.318 -0.768 0 CA-C-O 121.068 0.461 . . . . 0.0 111.348 177.746 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 40' ' ' MET . . . . . . . . . . . . . 56.7 tpp -156.28 143.34 18.94 Favored 'General case' 0 C--N 1.322 -0.613 0 CA-C-N 116.048 -0.524 . . . . 0.0 111.973 -173.281 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 41' ' ' TYR . . . . . . . . . . . . . 84.8 m-85 -93.29 125.43 37.89 Favored 'General case' 0 C--N 1.316 -0.848 0 N-CA-C 107.303 -1.369 . . . . 0.0 107.303 171.681 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 36.0 t -119.02 116.96 52.66 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.836 0 N-CA-C 108.927 -0.768 . . . . 0.0 108.927 178.624 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 29.6 ttt-85 -67.67 144.55 55.44 Favored 'General case' 0 C--N 1.315 -0.904 0 N-CA-C 108.539 -0.911 . . . . 0.0 108.539 179.375 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 44' ' ' ILE . . . . . 0.614 HG12 ' C ' ' A' ' 23' ' ' ARG . 48.3 mm -65.31 123.85 19.04 Favored 'Isoleucine or valine' 0 C--N 1.31 -1.132 0 N-CA-C 107.881 -1.155 . . . . 0.0 107.881 177.288 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . 105.64 7.06 37.32 Favored Glycine 0 C--N 1.295 -1.749 0 CA-C-N 114.466 -1.243 . . . . 0.0 110.186 178.824 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 46' ' ' ASN . . . . . . . . . . . . . 54.2 t30 -127.89 159.9 33.48 Favored 'General case' 0 C--N 1.312 -1.048 0 CA-C-O 121.64 0.733 . . . . 0.0 110.218 -178.157 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 42.2 p -110.85 154.55 23.85 Favored 'General case' 0 C--N 1.292 -1.899 0 N-CA-C 107.7 -1.222 . . . . 0.0 107.7 177.252 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -147.06 124.73 11.8 Favored 'General case' 0 C--N 1.296 -1.759 0 C-N-CA 119.941 -0.704 . . . . 0.0 112.369 -179.64 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 3.6 m -67.7 99.94 0.85 Allowed 'General case' 0 C--N 1.301 -1.513 0 CA-C-N 113.621 -1.627 . . . . 0.0 108.925 172.459 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 50' ' ' ILE . . . . . . . . . . . . . 36.9 mm -96.24 110.37 24.47 Favored 'Isoleucine or valine' 0 C--N 1.309 -1.179 0 N-CA-C 108.272 -1.01 . . . . 0.0 108.272 -179.153 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 51' ' ' THR . . . . . 0.444 ' HA ' ' O ' ' A' ' 55' ' ' HIS . 12.1 m -92.95 124.08 36.67 Favored 'General case' 0 C--N 1.291 -1.949 0 C-N-CA 117.914 -1.514 . . . . 0.0 107.097 175.197 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -144.78 121.67 11.3 Favored 'General case' 0 C--N 1.305 -1.341 0 N-CA-C 106.643 -1.614 . . . . 0.0 106.643 177.594 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 53' ' ' ARG . . . . . 0.413 ' HG2' ' O ' ' A' ' 53' ' ' ARG . 70.2 ttt180 60.77 31.58 20.1 Favored 'General case' 0 N--CA 1.442 -0.857 0 CA-C-O 123.398 1.57 . . . . 0.0 109.804 -178.52 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . 82.82 -2.01 87.17 Favored Glycine 0 C--N 1.308 -1.007 0 CA-C-N 114.257 -1.338 . . . . 0.0 113.958 178.886 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 55' ' ' HIS . . . . . 0.444 ' O ' ' HA ' ' A' ' 51' ' ' THR . 72.1 m-70 -99.97 133.37 44.45 Favored 'General case' 0 CA--C 1.501 -0.929 0 N-CA-C 108.056 -1.09 . . . . 0.0 108.056 178.769 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 23.2 mp0 -91.96 129.95 37.81 Favored 'General case' 0 N--CA 1.429 -1.499 0 N-CA-C 107.22 -1.4 . . . . 0.0 107.22 172.462 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 57' ' ' PHE . . . . . 0.513 ' HB3' HD11 ' A' ' 70' ' ' LEU . 88.5 m-85 -113.21 103.39 11.29 Favored 'General case' 0 N--CA 1.413 -2.275 0 N-CA-C 103.977 -2.601 . . . . 0.0 103.977 174.675 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 20.8 tp10 -80.71 109.53 15.34 Favored 'General case' 0 C--N 1.305 -1.349 0 N-CA-C 105.023 -2.214 . . . . 0.0 105.023 178.243 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 59' ' ' VAL . . . . . 0.496 ' HA ' ' HA ' ' A' ' 70' ' ' LEU . 15.9 m -97.81 156.43 3.58 Favored 'Isoleucine or valine' 0 C--N 1.298 -1.639 0 N-CA-C 108.591 -0.892 . . . . 0.0 108.591 -176.448 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 60' ' ' GLU . . . . . 0.542 ' HB2' ' HB ' ' A' ' 71' ' ' THR . 37.6 tt0 -122.66 100.49 6.94 Favored 'General case' 0 N--CA 1.419 -1.995 0 N-CA-C 106.859 -1.534 . . . . 0.0 106.859 175.846 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -84.59 86.66 7.28 Favored 'General case' 0 N--CA 1.432 -1.326 0 N-CA-C 104.905 -2.257 . . . . 0.0 104.905 176.021 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -72.72 -41.22 65.44 Favored 'General case' 0 C--N 1.303 -1.416 0 CA-C-N 113.687 -1.597 . . . . 0.0 113.118 -177.493 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 63' ' ' ASP . . . . . 0.416 ' C ' ' H ' ' A' ' 65' ' ' ASN . 19.5 t70 -150.94 177.59 9.99 Favored 'General case' 0 C--N 1.313 -1.015 0 N-CA-C 106.933 -1.506 . . . . 0.0 106.933 -176.96 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 64' ' ' GLN . . . . . . . . . . . . . 14.8 pt20 -73.06 30.34 0.06 Allowed 'General case' 0 N--CA 1.47 0.559 0 C-N-CA 125.264 1.426 . . . . 0.0 112.99 -179.242 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 65' ' ' ASN . . . . . 0.416 ' H ' ' C ' ' A' ' 63' ' ' ASP . 10.3 m120 -68.32 -41.72 80.41 Favored 'General case' 0 C--N 1.318 -0.766 0 N-CA-C 105.81 -1.922 . . . . 0.0 105.81 175.644 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 66' ' ' CYS . . . . . 0.534 ' O ' ' HB3' ' A' ' 82' ' ' ALA 0.272 81.3 m 52.19 30.26 7.55 Favored 'General case' 0 C--O 1.224 -0.27 0 C-N-CA 126.435 1.894 . . . . 0.0 114.928 -177.608 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 5.1 mptp? -83.96 162.98 20.26 Favored 'General case' 0 C--N 1.3 -1.544 0 N-CA-C 107.231 -1.396 . . . . 0.0 107.231 165.231 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 68' ' ' VAL . . . . . 0.482 HG21 HD23 ' A' ' 80' ' ' LEU . 9.2 p -84.56 98.62 6.09 Favored 'Isoleucine or valine' 0 C--N 1.283 -2.319 0 C-N-CA 117.701 -1.6 . . . . 0.0 107.958 175.516 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 69' ' ' ILE . . . . . . . . . . . . . 97.6 mt -115.49 118.43 58.76 Favored 'Isoleucine or valine' 0 N--CA 1.423 -1.817 0 N-CA-C 105.403 -2.073 . . . . 0.0 105.403 -179.074 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 70' ' ' LEU . . . . . 0.643 HD21 ' HB2' ' A' ' 76' ' ' ALA . 2.7 mm? -82.4 147.26 28.89 Favored 'General case' 0 N--CA 1.408 -2.564 0 C-N-CA 119.026 -1.069 . . . . 0.0 108.995 177.57 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 71' ' ' THR . . . . . 0.542 ' HB ' ' HB2' ' A' ' 60' ' ' GLU . 14.6 t -64.13 -18.44 64.44 Favored 'General case' 0 C--N 1.296 -1.748 0 CA-C-N 114.128 -1.396 . . . . 0.0 110.966 -176.237 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 72' ' ' ASN . . . . . . . . . . . . . 25.5 p30 -90.59 -6.02 55.17 Favored 'General case' 0 C--N 1.325 -0.498 0 C-N-CA 123.644 0.777 . . . . 0.0 112.273 -179.245 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 73' ' ' GLY . . . . . . . . . . . . . . . 99.76 0.44 56.43 Favored Glycine 0 CA--C 1.502 -0.774 0 C-N-CA 120.623 -0.799 . . . . 0.0 112.732 173.916 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 91.3 mttt -87.28 174.51 8.54 Favored 'General case' 0 N--CA 1.436 -1.173 0 CA-C-O 122.192 0.996 . . . . 0.0 112.755 179.075 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 75' ' ' GLN . . . . . . . . . . . . . 46.5 mt-30 -104.9 152.46 22.62 Favored 'General case' 0 C--N 1.311 -1.09 0 CA-C-N 113.553 -1.658 . . . . 0.0 106.937 171.086 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 76' ' ' ALA . . . . . 0.643 ' HB2' HD21 ' A' ' 70' ' ' LEU . . . -108.41 171.26 4.67 Favored Pre-proline 0 C--N 1.29 -1.997 0 N-CA-C 105.357 -2.09 . . . . 0.0 105.357 175.021 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 77' ' ' PRO . . . . . . . . . . . . . 52.4 Cg_exo -56.65 148.64 63.59 Favored 'Trans proline' 0 C--N 1.355 0.88 0 C-N-CA 122.072 1.848 . . . . 0.0 110.531 176.363 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 78' ' ' ASP . . . . . . . . . . . . . 13.5 m-20 -69.68 -10.61 58.98 Favored 'General case' 0 C--N 1.318 -0.769 0 N-CA-C 112.918 0.71 . . . . 0.0 112.918 -174.552 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 79' ' ' TRP . . . . . . . . . . . . . 56.0 p-90 -82.17 -13.99 56.32 Favored 'General case' 0 N--CA 1.449 -0.479 0 CA-C-O 121.394 0.616 . . . . 0.0 110.133 175.939 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 80' ' ' LEU . . . . . 0.482 HD23 HG21 ' A' ' 68' ' ' VAL . 16.3 tp -85.73 95.38 9.37 Favored 'General case' 0 N--CA 1.428 -1.564 0 N-CA-C 105.501 -2.037 . . . . 0.0 105.501 178.416 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 81' ' ' ALA . . . . . 0.48 ' O ' ' HA ' ' A' ' 27' ' ' TYR . . . -98.08 165.77 11.74 Favored 'General case' 0 C--N 1.301 -1.519 0 CA-C-N 114.65 -1.159 . . . . 0.0 111.596 -173.19 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 82' ' ' ALA . . . . . 0.592 ' HA ' ' O ' ' A' ' 26' ' ' VAL . . . -147.01 140.32 25.43 Favored 'General case' 0 C--N 1.297 -1.702 0 CA-C-N 114.32 -1.309 . . . . 0.0 108.753 174.973 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 16.4 pt-20 -148.92 145.68 20.13 Favored Pre-proline 0 C--N 1.302 -1.465 0 N-CA-C 105.422 -2.066 . . . . 0.0 105.422 173.465 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 84' ' ' PRO . . . . . 0.653 ' HA ' ' O ' ' A' ' 24' ' ' SER . 50.2 Cg_endo -69.64 144.49 54.82 Favored 'Trans proline' 0 N--CA 1.45 -1.084 0 C-N-CA 121.363 1.375 . . . . 0.0 111.923 -178.514 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 85' ' ' TYR . . . . . . . . . . . . 0.345 0.1 OUTLIER . . . . . 0 C--O 1.245 0.847 0 N-CA-C 117.274 2.324 . . . . 0.0 117.274 -170.865 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 12.6 p . . . . . 0 C--O 1.239 0.532 0 CA-C-O 120.72 0.295 . . . . 0.0 110.863 . . . . . . . . . 0 0 . 1 . 012 nuclear build full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . -91.86 114.42 4.55 Favored Glycine 0 N--CA 1.44 -1.095 0 N-CA-C 110.716 -0.954 . . . . 0.0 110.716 179.074 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 9' ' ' ARG . . . . . 0.673 ' NE ' ' HA ' ' A' ' 9' ' ' ARG . 0.7 OUTLIER -128.41 99.87 5.57 Favored 'General case' 0 N--CA 1.433 -1.305 0 N-CA-C 114.013 1.116 . . . . 0.0 114.013 178.306 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 1.7 mp0 -77.35 94.63 4.24 Favored 'General case' 0 C--N 1.296 -1.728 0 CA-C-N 113.133 -1.849 . . . . 0.0 106.716 175.207 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 11' ' ' ASN . . . . . . . . . . . . . 18.0 m120 -94.6 163.53 13.35 Favored 'General case' 0 C--N 1.303 -1.416 0 N-CA-C 106.787 -1.56 . . . . 0.0 106.787 178.907 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 5.3 mp -79.99 99.27 7.56 Favored 'General case' 0 C--N 1.301 -1.541 0 CA-C-O 123.089 1.424 . . . . 0.0 112.903 -175.937 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 13' ' ' TYR . . . . . . . . . . . . . 75.2 m-85 -126.51 -177.25 3.92 Favored 'General case' 0 C--N 1.301 -1.515 0 N-CA-C 102.467 -3.16 . . . . 0.0 102.467 174.901 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 14' ' ' PHE . . . . . . . . . . . . . 65.6 t80 -53.89 130.49 37.44 Favored 'General case' 0 C--O 1.247 0.922 0 N-CA-C 105.964 -1.865 . . . . 0.0 105.964 171.558 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 97.7 mt-30 -28.74 117.29 0.11 Allowed 'General case' 0 C--O 1.246 0.901 0 N-CA-C 118.27 2.693 . . . . 0.0 118.27 -165.401 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . -72.24 135.81 22.98 Favored Glycine 0 N--CA 1.43 -1.743 0 N-CA-C 105.889 -2.884 . . . . 0.0 105.889 171.061 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 17' ' ' HIS . . . . . . . . . . . . . 40.6 m-70 -73.54 125.26 27.55 Favored 'General case' 0 C--N 1.302 -1.461 0 CA-C-O 121.133 0.492 . . . . 0.0 111.064 -171.417 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 18' ' ' MET . . . . . . . . . . . . . 90.6 mtp -80.82 172.72 13.39 Favored 'General case' 0 N--CA 1.436 -1.143 0 N-CA-C 108.398 -0.964 . . . . 0.0 108.398 174.414 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -72.03 135.47 46.36 Favored 'General case' 0 C--N 1.292 -1.935 0 N-CA-C 108.33 -0.989 . . . . 0.0 108.33 -179.913 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -75.04 149.03 84.88 Favored Pre-proline 0 C--N 1.303 -1.43 0 CA-C-N 114.801 -1.09 . . . . 0.0 112.58 -174.274 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 21' ' ' PRO . . . . . . . . . . . . . 78.4 Cg_exo -48.36 119.38 4.03 Favored 'Trans proline' 0 C--N 1.358 1.047 0 C-N-CA 123.496 2.797 . . . . 0.0 109.78 173.794 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -138.69 31.84 2.26 Favored 'General case' 0 C--N 1.311 -1.099 0 C-N-CA 120.287 -0.565 . . . . 0.0 112.443 -172.116 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 23' ' ' ARG . . . . . 0.613 ' C ' HG12 ' A' ' 44' ' ' ILE . 36.1 mtm-85 55.82 27.89 11.58 Favored 'General case' 0 C--N 1.313 -1.003 0 N-CA-C 113.138 0.792 . . . . 0.0 113.138 -178.164 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 24' ' ' SER . . . . . 0.602 ' O ' ' HA ' ' A' ' 84' ' ' PRO . 67.2 m -153.52 138.01 16.8 Favored 'General case' 0 C--N 1.318 -0.795 0 O-C-N 121.702 -0.624 . . . . 0.0 110.472 177.544 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 25' ' ' CYS . . . . . . . . . . . . . 66.8 m -108.17 131.42 54.67 Favored 'General case' 0 CA--C 1.5 -0.966 0 N-CA-C 106.169 -1.789 . . . . 0.0 106.169 175.929 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 26' ' ' VAL . . . . . 0.848 HG21 ' HB2' ' A' ' 85' ' ' TYR . 6.3 t -117.01 123.95 72.43 Favored 'Isoleucine or valine' 0 C--N 1.285 -2.197 0 N-CA-C 107.09 -1.448 . . . . 0.0 107.09 -170.716 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 27' ' ' TYR . . . . . . . . . . . . . 64.2 m-85 -94.66 135.41 36.16 Favored 'General case' 0 C--N 1.301 -1.523 0 CA-C-N 115.582 -0.735 . . . . 0.0 111.789 -171.909 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 28' ' ' TYR . . . . . 0.496 ' HA ' ' O ' ' A' ' 37' ' ' VAL . 63.3 m-85 -128.42 141.37 51.43 Favored 'General case' 0 N--CA 1.428 -1.548 0 CA-C-N 114.568 -1.196 . . . . 0.0 110.445 -178.613 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 29' ' ' ASP . . . . . 0.459 ' HB3' ' HB ' ' A' ' 37' ' ' VAL . 4.4 t70 -94.83 102.03 13.87 Favored 'General case' 0 C--N 1.302 -1.491 0 N-CA-C 106.442 -1.688 . . . . 0.0 106.442 175.939 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . -172.46 137.12 4.07 Favored Glycine 0 N--CA 1.431 -1.699 0 C-N-CA 120.384 -0.912 . . . . 0.0 112.543 176.626 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 31' ' ' HIS . . . . . 0.4 ' CD2' ' HB3' ' A' ' 79' ' ' TRP . 87.9 m-70 -81.79 -26.23 34.59 Favored 'General case' 0 C--N 1.3 -1.584 0 N-CA-C 108.263 -1.014 . . . . 0.0 108.263 175.634 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 8.7 mp -122.44 149.32 54.95 Favored Pre-proline 0 N--CA 1.438 -1.054 0 N-CA-C 107.419 -1.326 . . . . 0.0 107.419 179.143 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 33' ' ' PRO . . . . . . . . . . . . . 34.5 Cg_endo -68.39 -6.86 18.57 Favored 'Trans proline' 0 CA--C 1.537 0.651 0 C-N-CA 122.341 2.027 . . . . 0.0 110.618 174.97 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -88.46 -11.99 44.36 Favored 'General case' 0 N--CA 1.445 -0.684 0 CA-C-N 114.901 -1.045 . . . . 0.0 111.059 178.483 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 2.6 p -131.65 18.01 4.75 Favored 'General case' 0 C--N 1.323 -0.545 0 N-CA-C 112.376 0.509 . . . . 0.0 112.376 -178.427 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 14.3 ptt180 -64.18 124.7 22.34 Favored 'General case' 0 C--N 1.321 -0.641 0 CA-C-N 115.367 -0.833 . . . . 0.0 110.886 177.61 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 37' ' ' VAL . . . . . 0.496 ' O ' ' HA ' ' A' ' 28' ' ' TYR . 60.8 t -111.85 125.67 69.18 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 N-CA-C 108.872 -0.788 . . . . 0.0 108.872 -179.715 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 3.2 tm? -60.05 111.59 1.56 Allowed 'General case' 0 C--N 1.321 -0.646 0 C-N-CA 123.597 0.759 . . . . 0.0 110.978 178.797 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 96.3 mt -90.93 -61.62 1.63 Allowed 'General case' 0 C--N 1.316 -0.883 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.591 177.295 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 40' ' ' MET . . . . . . . . . . . . . 22.6 ptm -171.65 164.52 6.69 Favored 'General case' 0 CA--C 1.514 -0.411 0 CA-C-N 115.738 -0.664 . . . . 0.0 112.266 -174.883 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 41' ' ' TYR . . . . . . . . . . . . . 87.7 m-85 -107.53 133.73 51.58 Favored 'General case' 0 C--N 1.31 -1.148 0 C-N-CA 125.476 1.51 . . . . 0.0 110.218 -177.459 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 47.0 t -126.27 138.72 53.76 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.774 0 N-CA-C 107.38 -1.341 . . . . 0.0 107.38 176.155 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 26.8 ttt85 -83.94 147.36 27.52 Favored 'General case' 0 C--N 1.302 -1.493 0 C-N-CA 120.168 -0.613 . . . . 0.0 109.535 179.815 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 44' ' ' ILE . . . . . 0.613 HG12 ' C ' ' A' ' 23' ' ' ARG . 24.0 mm -66.41 128.5 29.58 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.856 0 N-CA-C 108.896 -0.779 . . . . 0.0 108.896 179.141 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . 94.61 10.13 58.21 Favored Glycine 0 C--N 1.301 -1.38 0 N-CA-C 110.177 -1.169 . . . . 0.0 110.177 177.472 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 46' ' ' ASN . . . . . . . . . . . . . 54.2 t30 -129.29 160.42 33.04 Favored 'General case' 0 N--CA 1.43 -1.454 0 N-CA-C 108.771 -0.826 . . . . 0.0 108.771 -178.843 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 14.0 p -110.62 156.49 20.89 Favored 'General case' 0 C--N 1.284 -2.277 0 CA-C-N 114.521 -1.218 . . . . 0.0 110.574 -178.06 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -159.86 133.12 6.91 Favored 'General case' 0 C--N 1.309 -1.157 0 CA-C-N 115.33 -0.85 . . . . 0.0 112.953 177.101 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 3.6 m -76.1 114.06 14.32 Favored 'General case' 0 C--N 1.312 -1.04 0 CA-C-N 114.992 -1.004 . . . . 0.0 108.322 172.983 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 50' ' ' ILE . . . . . 0.484 ' O ' ' HA ' ' A' ' 56' ' ' GLU . 40.9 mm -95.89 110.73 24.89 Favored 'Isoleucine or valine' 0 C--N 1.308 -1.237 0 N-CA-C 107.883 -1.154 . . . . 0.0 107.883 179.71 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 19.2 m -93.42 123.05 36.46 Favored 'General case' 0 C--N 1.292 -1.924 0 N-CA-C 105.3 -2.111 . . . . 0.0 105.3 172.496 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -148.25 121.86 9.19 Favored 'General case' 0 N--CA 1.427 -1.613 0 N-CA-C 109.049 -0.723 . . . . 0.0 109.049 179.991 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 53' ' ' ARG . . . . . 0.488 ' HD2' ' CZ2' ' A' ' 79' ' ' TRP . 83.1 mtt180 63.22 25.65 14.87 Favored 'General case' 0 C--N 1.323 -0.562 0 C-N-CA 125.521 1.528 . . . . 0.0 111.427 -179.882 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . 86.69 14.03 66.17 Favored Glycine 0 N--CA 1.44 -1.04 0 CA-C-N 115.06 -0.973 . . . . 0.0 112.904 179.458 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 55' ' ' HIS . . . . . . . . . . . . . 68.4 m-70 -122.91 131.77 53.88 Favored 'General case' 0 C--N 1.318 -0.771 0 N-CA-C 108.825 -0.806 . . . . 0.0 108.825 176.752 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 56' ' ' GLU . . . . . 0.484 ' HA ' ' O ' ' A' ' 50' ' ' ILE . 4.4 mp0 -97.97 127.61 44.02 Favored 'General case' 0 N--CA 1.438 -1.039 0 N-CA-C 108.718 -0.845 . . . . 0.0 108.718 178.729 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 57' ' ' PHE . . . . . . . . . . . . . 53.3 m-85 -117.32 113.3 21.94 Favored 'General case' 0 N--CA 1.424 -1.754 0 N-CA-C 106.734 -1.58 . . . . 0.0 106.734 179.242 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 5.0 tp10 -78.81 109.52 13.14 Favored 'General case' 0 C--N 1.31 -1.112 0 N-CA-C 106.12 -1.808 . . . . 0.0 106.12 177.673 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 59' ' ' VAL . . . . . 0.549 HG12 HD13 ' A' ' 70' ' ' LEU . 10.2 m -105.87 162.29 5.06 Favored 'Isoleucine or valine' 0 C--N 1.295 -1.77 0 N-CA-C 108.95 -0.759 . . . . 0.0 108.95 -177.719 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 60' ' ' GLU . . . . . 0.555 ' HB2' ' HB ' ' A' ' 71' ' ' THR . 39.0 tt0 -129.73 121.38 26.77 Favored 'General case' 0 N--CA 1.416 -2.164 0 N-CA-C 105.099 -2.186 . . . . 0.0 105.099 172.435 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -76.51 95.81 3.96 Favored 'General case' 0 C--N 1.306 -1.322 0 N-CA-C 107.303 -1.369 . . . . 0.0 107.303 177.51 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 74.5 mmtt -71.0 -58.81 3.21 Favored 'General case' 0 C--N 1.317 -0.812 0 CA-C-N 113.816 -1.538 . . . . 0.0 113.64 -175.096 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 22.9 t70 -144.54 161.29 39.47 Favored 'General case' 0 C--N 1.301 -1.54 0 CA-C-N 115.788 -0.642 . . . . 0.0 109.461 -171.75 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 64' ' ' GLN . . . . . 0.475 ' OE1' HG21 ' A' ' 44' ' ' ILE . 1.0 OUTLIER -71.35 -0.46 10.2 Favored 'General case' 0 C--O 1.239 0.501 0 C-N-CA 124.407 1.083 . . . . 0.0 111.39 -176.435 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 65' ' ' ASN . . . . . . . . . . . . . 47.3 t-20 -71.54 -26.62 62.72 Favored 'General case' 0 C--N 1.318 -0.781 0 N-CA-C 106.589 -1.634 . . . . 0.0 106.589 173.064 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 66' ' ' CYS . . . . . . . . . . . . 0.321 99.4 m 57.0 55.33 6.17 Favored 'General case' 0 N--CA 1.445 -0.714 0 N-CA-C 116.385 1.995 . . . . 0.0 116.385 175.568 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -89.29 148.13 23.73 Favored 'General case' 0 CA--C 1.487 -1.462 0 N-CA-C 106.836 -1.542 . . . . 0.0 106.836 169.945 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 68' ' ' VAL . . . . . . . . . . . . . 5.3 p -76.97 99.74 2.33 Favored 'Isoleucine or valine' 0 C--N 1.289 -2.046 0 CA-C-O 122.24 1.019 . . . . 0.0 109.148 -179.433 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 69' ' ' ILE . . . . . . . . . . . . . 85.3 mt -121.12 119.18 58.53 Favored 'Isoleucine or valine' 0 N--CA 1.425 -1.718 0 N-CA-C 107.245 -1.391 . . . . 0.0 107.245 -177.124 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 70' ' ' LEU . . . . . 0.706 HD21 ' HB2' ' A' ' 76' ' ' ALA . 2.7 mm? -80.57 145.72 31.62 Favored 'General case' 0 N--CA 1.406 -2.634 0 CA-C-N 113.998 -1.455 . . . . 0.0 108.89 -177.765 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 71' ' ' THR . . . . . 0.555 ' HB ' ' HB2' ' A' ' 60' ' ' GLU . 5.4 t -78.33 -10.7 59.79 Favored 'General case' 0 C--N 1.28 -2.446 0 CA-C-N 113.996 -1.456 . . . . 0.0 110.567 -175.085 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 72' ' ' ASN . . . . . . . . . . . . . 18.6 p30 -96.0 -16.75 21.47 Favored 'General case' 0 C--N 1.324 -0.507 0 CA-C-N 115.921 -0.581 . . . . 0.0 111.826 -178.32 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 73' ' ' GLY . . . . . . . . . . . . . . . 100.62 9.24 47.22 Favored Glycine 0 CA--C 1.506 -0.473 0 N-CA-C 111.584 -0.607 . . . . 0.0 111.584 173.391 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 74' ' ' LYS . . . . . 0.558 ' O ' HD23 ' A' ' 70' ' ' LEU . 70.6 mmtt -92.4 171.9 8.74 Favored 'General case' 0 C--N 1.308 -1.212 0 N-CA-C 109.228 -0.656 . . . . 0.0 109.228 -179.298 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 75' ' ' GLN . . . . . . . . . . . . . 21.4 mp0 -97.39 150.41 21.04 Favored 'General case' 0 C--N 1.295 -1.802 0 CA-C-N 115.554 -0.748 . . . . 0.0 110.282 178.52 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 76' ' ' ALA . . . . . 0.706 ' HB2' HD21 ' A' ' 70' ' ' LEU . . . -108.17 149.71 39.53 Favored Pre-proline 0 C--N 1.301 -1.507 0 N-CA-C 106.761 -1.57 . . . . 0.0 106.761 175.033 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 77' ' ' PRO . . . . . . . . . . . . . 85.2 Cg_exo -52.9 159.8 4.77 Favored 'Trans proline' 0 N--CA 1.474 0.343 0 C-N-CA 124.156 3.238 . . . . 0.0 114.046 177.881 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 78' ' ' ASP . . . . . . . . . . . . . 32.1 t70 -62.69 -24.89 67.88 Favored 'General case' 0 C--N 1.322 -0.591 0 CA-C-N 115.181 -0.918 . . . . 0.0 111.487 -178.36 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 79' ' ' TRP . . . . . 0.488 ' CZ2' ' HD2' ' A' ' 53' ' ' ARG . 64.8 p-90 -82.73 -9.38 59.38 Favored 'General case' 0 C--N 1.316 -0.874 0 N-CA-C 112.622 0.601 . . . . 0.0 112.622 179.659 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 80' ' ' LEU . . . . . 0.549 HD23 ' HB1' ' A' ' 76' ' ' ALA . 22.6 tp -89.95 107.16 18.95 Favored 'General case' 0 N--CA 1.434 -1.247 0 C-N-CA 118.821 -1.152 . . . . 0.0 109.699 -177.45 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -112.9 167.99 10.05 Favored 'General case' 0 CA--C 1.498 -1.031 0 CA-C-O 121.682 0.753 . . . . 0.0 111.464 -179.068 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 82' ' ' ALA . . . . . 0.55 ' HA ' ' O ' ' A' ' 26' ' ' VAL . . . -150.35 144.67 25.65 Favored 'General case' 0 C--N 1.307 -1.28 0 CA-C-N 113.821 -1.536 . . . . 0.0 109.072 176.152 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 12.1 pt-20 -150.49 153.06 33.91 Favored Pre-proline 0 C--N 1.302 -1.499 0 N-CA-C 104.316 -2.476 . . . . 0.0 104.316 173.704 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 84' ' ' PRO . . . . . 0.602 ' HA ' ' O ' ' A' ' 24' ' ' SER . 68.4 Cg_endo -73.71 158.17 47.32 Favored 'Trans proline' 0 C--O 1.215 -0.629 0 C-N-CA 121.72 1.613 . . . . 0.0 111.939 178.65 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 85' ' ' TYR . . . . . 0.848 ' HB2' HG21 ' A' ' 26' ' ' VAL . 5.2 t80 . . . . . 0 C--N 1.318 -0.803 0 N-CA-C 114.163 1.171 . . . . 0.0 114.163 -178.037 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 43.2 t . . . . . 0 CA--C 1.51 -0.595 0 N-CA-C 107.498 -1.297 . . . . 0.0 107.498 . . . . . . . . . 0 0 . 1 . 013 nuclear build full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . -120.8 89.78 0.45 Allowed Glycine 0 N--CA 1.429 -1.78 0 C-N-CA 119.411 -1.376 . . . . 0.0 111.873 -179.529 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 95.8 mtt180 -103.8 89.79 3.43 Favored 'General case' 0 C--N 1.31 -1.128 0 N-CA-C 107.785 -1.191 . . . . 0.0 107.785 175.937 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 8.9 pt-20 -82.2 140.87 33.46 Favored 'General case' 0 C--N 1.303 -1.417 0 CA-C-N 114.429 -1.259 . . . . 0.0 110.8 -179.429 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 11' ' ' ASN . . . . . . . . . . . . . 7.4 t30 -67.73 121.98 17.11 Favored 'General case' 0 CA--C 1.504 -0.815 0 N-CA-C 107.44 -1.319 . . . . 0.0 107.44 174.574 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 6.9 mp -66.01 104.3 1.1 Allowed 'General case' 0 C--N 1.308 -1.201 0 O-C-N 123.96 0.787 . . . . 0.0 111.492 -179.413 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 13' ' ' TYR . . . . . . . . . . . . . 92.4 m-85 -79.39 130.04 35.04 Favored 'General case' 0 C--N 1.312 -1.028 0 N-CA-C 106.182 -1.784 . . . . 0.0 106.182 174.141 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 14' ' ' PHE . . . . . . . . . . . . . 90.6 m-85 -83.65 130.33 34.97 Favored 'General case' 0 C--N 1.303 -1.448 0 N-CA-C 109.181 -0.674 . . . . 0.0 109.181 -178.925 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 23.6 mp0 -86.85 133.24 33.64 Favored 'General case' 0 C--N 1.314 -0.953 0 CA-C-N 115.681 -0.69 . . . . 0.0 111.036 -177.108 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . -97.36 178.11 32.66 Favored Glycine 0 N--CA 1.435 -1.367 0 N-CA-C 106.502 -2.639 . . . . 0.0 106.502 170.738 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 17' ' ' HIS . . . . . . . . . . . . 0.403 33.9 m80 -77.7 113.57 15.68 Favored 'General case' 0 C--N 1.312 -1.064 0 CA-C-O 123.273 1.511 . . . . 0.0 114.403 -179.673 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 18' ' ' MET . . . . . . . . . . . . . 30.7 mtm -148.48 -175.45 4.92 Favored 'General case' 0 C--N 1.304 -1.411 0 N-CA-C 101.22 -3.622 . . . . 0.0 101.22 -174.192 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -65.37 95.81 0.21 Allowed 'General case' 0 C--N 1.307 -1.261 0 N-CA-C 104.718 -2.327 . . . . 0.0 104.718 170.452 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -95.42 159.57 32.45 Favored Pre-proline 0 C--N 1.312 -1.041 0 CA-C-N 115.195 -0.911 . . . . 0.0 111.17 -168.279 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 21' ' ' PRO . . . . . . . . . . . . . 24.9 Cg_endo -61.42 89.39 0.1 OUTLIER 'Trans proline' 0 C--N 1.35 0.611 0 C-N-CA 122.534 2.156 . . . . 0.0 111.136 175.515 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -95.86 25.85 4.44 Favored 'General case' 0 C--N 1.314 -0.964 0 CA-C-N 114.625 -1.17 . . . . 0.0 111.501 -175.69 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 23' ' ' ARG . . . . . 0.548 ' C ' HG12 ' A' ' 44' ' ' ILE . 38.0 ttt180 57.22 24.3 9.68 Favored 'General case' 0 CA--C 1.551 0.987 0 CA-C-O 122.716 1.246 . . . . 0.0 112.087 179.17 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 24' ' ' SER . . . . . 0.532 ' O ' ' HA ' ' A' ' 84' ' ' PRO . 48.5 m -151.77 131.74 13.39 Favored 'General case' 0 C--N 1.312 -1.041 0 O-C-N 120.309 -1.495 . . . . 0.0 108.629 175.8 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 25' ' ' CYS . . . . . 0.427 ' SG ' HD11 ' A' ' 44' ' ' ILE . 14.4 m -107.83 131.42 54.5 Favored 'General case' 0 CA--C 1.489 -1.393 0 N-CA-C 106.489 -1.671 . . . . 0.0 106.489 176.107 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 26' ' ' VAL . . . . . 0.516 ' O ' ' HA ' ' A' ' 82' ' ' ALA . 2.8 t -103.68 119.19 51.94 Favored 'Isoleucine or valine' 0 C--N 1.286 -2.192 0 N-CA-C 106.712 -1.588 . . . . 0.0 106.712 -174.112 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 27' ' ' TYR . . . . . . . . . . . . . 6.5 m-85 -91.98 130.68 37.68 Favored 'General case' 0 C--N 1.301 -1.532 0 O-C-N 124.14 0.9 . . . . 0.0 109.26 -176.246 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 28' ' ' TYR . . . . . 0.434 ' HA ' ' O ' ' A' ' 37' ' ' VAL . 97.5 m-85 -128.33 146.34 50.8 Favored 'General case' 0 N--CA 1.413 -2.312 0 CA-C-N 114.399 -1.273 . . . . 0.0 110.033 -176.736 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 29' ' ' ASP . . . . . 0.419 ' HB2' HD21 ' A' ' 39' ' ' LEU . 3.4 t0 -88.81 101.77 14.36 Favored 'General case' 0 C--N 1.298 -1.656 0 N-CA-C 104.917 -2.253 . . . . 0.0 104.917 172.426 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . -173.07 141.99 6.46 Favored Glycine 0 N--CA 1.422 -2.25 0 C-N-CA 119.433 -1.365 . . . . 0.0 113.926 177.182 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 31' ' ' HIS . . . . . 0.472 ' NE2' ' HB3' ' A' ' 79' ' ' TRP . 91.4 m-70 -88.45 -30.69 19.24 Favored 'General case' 0 C--N 1.299 -1.596 0 N-CA-C 106.305 -1.739 . . . . 0.0 106.305 171.511 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 7.5 mp -107.57 148.11 36.63 Favored Pre-proline 0 N--CA 1.435 -1.21 0 CA-C-N 114.802 -1.09 . . . . 0.0 109.019 -179.539 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 33' ' ' PRO . . . . . . . . . . . . . 98.2 Cg_endo -77.25 4.8 5.55 Favored 'Trans proline' 0 CA--C 1.532 0.382 0 C-N-CA 122.919 2.412 . . . . 0.0 110.163 174.422 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -94.85 -61.02 1.57 Allowed 'General case' 0 C--N 1.32 -0.687 0 CA-C-N 115.244 -0.889 . . . . 0.0 111.114 178.879 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 4.8 p -90.84 12.41 19.46 Favored 'General case' 0 C--N 1.318 -0.763 0 N-CA-C 113.705 1.002 . . . . 0.0 113.705 -172.614 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 36' ' ' ARG . . . . . 0.423 ' HB2' ' HB3' ' A' ' 28' ' ' TYR . 0.0 OUTLIER -68.28 153.49 43.65 Favored 'General case' 0 C--N 1.32 -0.676 0 N-CA-C 112.2 0.444 . . . . 0.0 112.2 -176.488 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 37' ' ' VAL . . . . . 0.434 ' O ' ' HA ' ' A' ' 28' ' ' TYR . 40.4 t -120.91 132.26 70.86 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.708 0 N-CA-C 108.315 -0.995 . . . . 0.0 108.315 -175.438 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 47.2 tp -65.32 118.58 9.52 Favored 'General case' 0 C--N 1.314 -0.969 0 CA-C-O 121.065 0.459 . . . . 0.0 110.96 177.754 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 39' ' ' LEU . . . . . 0.419 HD21 ' HB2' ' A' ' 29' ' ' ASP . 94.0 mt -91.77 -55.54 3.43 Favored 'General case' 0 C--N 1.299 -1.608 0 CA-C-N 115.443 -0.799 . . . . 0.0 110.572 176.491 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 40' ' ' MET . . . . . . . . . . . . . 45.1 ttm -171.19 152.35 3.39 Favored 'General case' 0 N--CA 1.438 -1.073 0 CA-C-N 115.403 -0.817 . . . . 0.0 109.919 -173.601 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 41' ' ' TYR . . . . . . . . . . . . . 96.1 m-85 -95.26 124.6 39.38 Favored 'General case' 0 C--N 1.314 -0.947 0 N-CA-C 107.138 -1.43 . . . . 0.0 107.138 173.71 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 30.0 t -113.67 119.16 60.23 Favored 'Isoleucine or valine' 0 C--N 1.308 -1.199 0 N-CA-C 108.759 -0.83 . . . . 0.0 108.759 179.081 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 25.1 tpt180 -67.87 132.35 47.21 Favored 'General case' 0 C--N 1.31 -1.113 0 N-CA-C 107.008 -1.479 . . . . 0.0 107.008 178.48 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 44' ' ' ILE . . . . . 0.548 HG12 ' C ' ' A' ' 23' ' ' ARG . 35.7 mm -62.66 125.15 18.56 Favored 'Isoleucine or valine' 0 C--N 1.311 -1.074 0 N-CA-C 108.237 -1.023 . . . . 0.0 108.237 178.398 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . 94.98 25.49 14.49 Favored Glycine 0 C--N 1.303 -1.294 0 N-CA-C 110.251 -1.14 . . . . 0.0 110.251 -176.707 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 46' ' ' ASN . . . . . . . . . . . . . 43.2 t30 -142.39 159.48 42.15 Favored 'General case' 0 C--N 1.311 -1.07 0 N-CA-C 108.054 -1.091 . . . . 0.0 108.054 177.146 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 33.4 p -108.62 153.07 23.93 Favored 'General case' 0 C--N 1.289 -2.062 0 CA-C-N 115.19 -0.914 . . . . 0.0 108.877 178.306 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 48' ' ' ALA . . . . . 0.41 ' O ' ' HA ' ' A' ' 58' ' ' GLU . . . -149.08 131.37 15.56 Favored 'General case' 0 C--N 1.296 -1.754 0 C-N-CA 120.121 -0.631 . . . . 0.0 112.134 -178.82 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 3.7 m -87.61 107.51 18.64 Favored 'General case' 0 N--CA 1.435 -1.176 0 N-CA-C 107.03 -1.47 . . . . 0.0 107.03 175.343 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 50' ' ' ILE . . . . . 0.419 ' O ' ' HA ' ' A' ' 56' ' ' GLU . 18.2 mm -97.61 112.68 30.21 Favored 'Isoleucine or valine' 0 C--N 1.31 -1.137 0 N-CA-C 108.885 -0.783 . . . . 0.0 108.885 -177.974 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 23.5 m -95.47 123.88 39.23 Favored 'General case' 0 C--N 1.295 -1.769 0 C-N-CA 116.72 -1.992 . . . . 0.0 106.25 172.24 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -143.28 123.38 13.66 Favored 'General case' 0 C--N 1.31 -1.147 0 N-CA-C 108.32 -0.993 . . . . 0.0 108.32 -179.734 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 53' ' ' ARG . . . . . . . . . . . . . 77.1 mtt180 65.48 18.24 11.22 Favored 'General case' 0 C--N 1.324 -0.52 0 C-N-CA 124.45 1.1 . . . . 0.0 110.996 -179.788 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . 95.8 -0.84 63.06 Favored Glycine 0 C--N 1.307 -1.048 0 CA-C-N 114.839 -1.073 . . . . 0.0 112.854 -178.475 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 55' ' ' HIS . . . . . . . . . . . . . 44.2 m-70 -109.12 127.48 54.2 Favored 'General case' 0 C--N 1.32 -0.701 0 O-C-N 122.178 -0.601 . . . . 0.0 109.607 -177.102 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 56' ' ' GLU . . . . . 0.419 ' HA ' ' O ' ' A' ' 50' ' ' ILE . 46.0 mp0 -86.57 131.99 34.02 Favored 'General case' 0 C--O 1.246 0.903 0 CA-C-O 121.429 0.633 . . . . 0.0 110.513 175.604 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 57' ' ' PHE . . . . . 0.469 ' HB3' HD11 ' A' ' 70' ' ' LEU . 64.1 m-85 -123.07 100.06 6.68 Favored 'General case' 0 N--CA 1.415 -2.178 0 N-CA-C 105.383 -2.081 . . . . 0.0 105.383 175.034 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 58' ' ' GLU . . . . . 0.538 ' O ' HG22 ' A' ' 71' ' ' THR . 34.4 tt0 -92.49 111.42 23.0 Favored 'General case' 0 C--N 1.3 -1.564 0 C-N-CA 117.274 -1.77 . . . . 0.0 107.097 177.638 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 59' ' ' VAL . . . . . 0.4 HG12 HD13 ' A' ' 70' ' ' LEU . 32.8 m -108.4 165.13 5.0 Favored 'Isoleucine or valine' 0 C--N 1.298 -1.653 0 CA-C-N 115.079 -0.964 . . . . 0.0 110.268 -175.801 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 39.5 tt0 -120.39 116.16 24.94 Favored 'General case' 0 C--N 1.294 -1.822 0 N-CA-C 105.162 -2.162 . . . . 0.0 105.162 171.514 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -76.89 89.99 3.5 Favored 'General case' 0 C--N 1.32 -0.706 0 N-CA-C 108.889 -0.782 . . . . 0.0 108.889 179.62 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 62' ' ' LYS . . . . . 0.431 ' HG3' HD13 ' A' ' 69' ' ' ILE . 27.7 mmmt -66.03 -57.02 8.71 Favored 'General case' 0 C--N 1.32 -0.674 0 CA-C-N 113.494 -1.685 . . . . 0.0 111.617 -176.733 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 1.5 m-20 -125.88 156.43 39.67 Favored 'General case' 0 CA--C 1.497 -1.09 0 CA-C-N 115.609 -0.723 . . . . 0.0 110.044 -171.822 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 64' ' ' GLN . . . . . 0.528 ' HG3' HG13 ' A' ' 44' ' ' ILE . 10.2 mp0 -78.71 -2.76 40.85 Favored 'General case' 0 C--N 1.323 -0.578 0 O-C-N 123.875 0.734 . . . . 0.0 109.557 179.885 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 65' ' ' ASN . . . . . . . . . . . . . 58.7 t30 -91.61 14.98 13.51 Favored 'General case' 0 C--N 1.325 -0.484 0 N-CA-C 107.035 -1.469 . . . . 0.0 107.035 176.668 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 66' ' ' CYS . . . . . 0.489 ' SG ' ' HD3' ' A' ' 84' ' ' PRO . 82.4 m 57.86 55.08 5.62 Favored 'General case' 0 N--CA 1.437 -1.113 0 CA-C-N 113.202 -1.817 . . . . 0.0 114.201 175.23 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 67' ' ' LYS . . . . . 0.553 ' HA ' ' HE3' ' A' ' 67' ' ' LYS . 0.0 OUTLIER -84.45 117.37 23.61 Favored 'General case' 0 N--CA 1.414 -2.24 0 C-N-CA 118.273 -1.371 . . . . 0.0 109.397 173.728 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 68' ' ' VAL . . . . . . . . . . . . . 5.4 p -93.12 98.7 8.64 Favored 'Isoleucine or valine' 0 C--N 1.284 -2.275 0 CA-C-N 111.886 -2.415 . . . . 0.0 109.906 -174.941 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 69' ' ' ILE . . . . . 0.431 HD13 ' HG3' ' A' ' 62' ' ' LYS . 1.9 mp -114.13 119.48 61.34 Favored 'Isoleucine or valine' 0 C--N 1.294 -1.827 0 N-CA-C 105.453 -2.054 . . . . 0.0 105.453 176.71 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 70' ' ' LEU . . . . . 0.573 HD21 ' HB2' ' A' ' 76' ' ' ALA . 4.1 mm? -77.85 139.45 39.28 Favored 'General case' 0 CA--C 1.477 -1.863 0 CA-C-N 115.361 -0.836 . . . . 0.0 110.09 179.241 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 71' ' ' THR . . . . . 0.538 HG22 ' O ' ' A' ' 58' ' ' GLU . 15.2 t -82.49 0.24 43.34 Favored 'General case' 0 C--N 1.291 -1.957 0 CA-C-N 114.392 -1.276 . . . . 0.0 109.077 -177.312 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 72' ' ' ASN . . . . . . . . . . . . . 81.8 m-20 -90.23 -8.19 51.65 Favored 'General case' 0 C--N 1.322 -0.589 0 CA-C-N 114.452 -1.249 . . . . 0.0 109.362 176.06 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 73' ' ' GLY . . . . . . . . . . . . . . . 89.72 18.07 52.59 Favored Glycine 0 CA--C 1.5 -0.874 0 N-CA-C 109.502 -1.439 . . . . 0.0 109.502 179.069 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 74' ' ' LYS . . . . . 0.469 ' O ' ' HB2' ' A' ' 70' ' ' LEU . 67.2 mmtt -101.93 159.52 15.28 Favored 'General case' 0 N--CA 1.431 -1.394 0 CA-C-N 113.786 -1.207 . . . . 0.0 112.572 -174.386 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 75' ' ' GLN . . . . . . . . . . . . . 79.1 mt-30 -91.82 158.66 16.2 Favored 'General case' 0 C--N 1.303 -1.456 0 N-CA-C 103.149 -2.908 . . . . 0.0 103.149 167.813 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 76' ' ' ALA . . . . . 0.573 ' HB2' HD21 ' A' ' 70' ' ' LEU . . . -98.85 145.95 30.83 Favored Pre-proline 0 C--N 1.287 -2.116 0 C-N-CA 118.539 -1.264 . . . . 0.0 110.678 -178.666 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 77' ' ' PRO . . . . . . . . . . . . . 84.4 Cg_exo -53.07 149.94 25.71 Favored 'Trans proline' 0 C--N 1.352 0.747 0 C-N-CA 123.182 2.588 . . . . 0.0 110.454 174.388 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 78' ' ' ASP . . . . . . . . . . . . . 28.7 t70 -57.65 -28.9 64.16 Favored 'General case' 0 C--N 1.315 -0.934 0 C-N-CA 123.956 0.902 . . . . 0.0 111.637 -177.081 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 79' ' ' TRP . . . . . 0.472 ' HB3' ' NE2' ' A' ' 31' ' ' HIS . 69.8 p-90 -81.94 -4.1 55.85 Favored 'General case' 0 C--N 1.319 -0.748 0 N-CA-C 113.348 0.87 . . . . 0.0 113.348 179.878 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 80' ' ' LEU . . . . . 0.411 HD23 ' HB1' ' A' ' 76' ' ' ALA . 33.3 tp -88.39 102.21 14.66 Favored 'General case' 0 C--N 1.312 -1.05 0 N-CA-C 107.216 -1.402 . . . . 0.0 107.216 176.533 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -100.98 158.72 15.79 Favored 'General case' 0 C--N 1.306 -1.323 0 CA-C-O 121.251 0.548 . . . . 0.0 110.36 -177.254 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 82' ' ' ALA . . . . . 0.516 ' HA ' ' O ' ' A' ' 26' ' ' VAL . . . -152.1 133.07 14.21 Favored 'General case' 0 C--N 1.3 -1.559 0 CA-C-N 114.882 -1.054 . . . . 0.0 109.727 177.44 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 8.9 pt-20 -143.05 140.64 18.17 Favored Pre-proline 0 C--N 1.311 -1.082 0 N-CA-C 105.704 -1.962 . . . . 0.0 105.704 174.754 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 84' ' ' PRO . . . . . 0.532 ' HA ' ' O ' ' A' ' 24' ' ' SER . 76.7 Cg_endo -68.44 139.26 44.67 Favored 'Trans proline' 0 N--CA 1.445 -1.374 0 CA-C-N 120.696 1.284 . . . . 0.0 110.806 178.313 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 85' ' ' TYR . . . . . 0.472 ' CD2' ' HB2' ' A' ' 24' ' ' SER 0.257 0.2 OUTLIER . . . . . 0 C--N 1.315 -0.892 0 CA-C-N 113.959 -1.473 . . . . 0.0 114.44 -170.671 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 12.3 m . . . . . 0 C--O 1.238 0.451 0 N-CA-C 109.075 -0.713 . . . . 0.0 109.075 . . . . . . . . . 0 0 . 1 . 014 nuclear build full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . -79.37 107.1 2.5 Favored Glycine 0 N--CA 1.437 -1.292 0 N-CA-C 110.164 -1.174 . . . . 0.0 110.164 179.319 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 56.8 mtm180 -109.11 89.65 3.06 Favored 'General case' 0 C--N 1.307 -1.276 0 N-CA-C 106.442 -1.688 . . . . 0.0 106.442 -179.541 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 7.7 tp10 -84.06 109.18 17.47 Favored 'General case' 0 N--CA 1.43 -1.471 0 N-CA-C 108.359 -0.978 . . . . 0.0 108.359 -175.736 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 11' ' ' ASN . . . . . . . . . . . . . 44.8 t-20 -122.45 126.49 48.02 Favored 'General case' 0 C--N 1.298 -1.643 0 N-CA-C 106.135 -1.802 . . . . 0.0 106.135 -177.74 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 2.1 pt? -63.95 114.33 4.03 Favored 'General case' 0 C--N 1.32 -0.707 0 N-CA-C 107.078 -1.453 . . . . 0.0 107.078 175.779 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 13' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER -133.51 99.82 4.62 Favored 'General case' 0 C--N 1.299 -1.62 0 N-CA-C 108.307 -0.997 . . . . 0.0 108.307 -171.68 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 14' ' ' PHE . . . . . . . . . . . . . 79.5 m-85 -83.8 104.35 13.82 Favored 'General case' 0 C--N 1.308 -1.234 0 CA-C-O 121.593 0.711 . . . . 0.0 110.526 -179.602 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 17.2 mm-40 -126.57 158.63 35.72 Favored 'General case' 0 C--N 1.305 -1.344 0 CA-C-N 114.46 -1.245 . . . . 0.0 108.271 -179.338 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . -91.46 89.57 1.46 Allowed Glycine 0 N--CA 1.429 -1.832 0 N-CA-C 107.741 -2.144 . . . . 0.0 107.741 176.348 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 17' ' ' HIS . . . . . . . . . . . . . 4.8 t60 -114.83 116.74 29.07 Favored 'General case' 0 C--N 1.303 -1.433 0 N-CA-C 106.894 -1.521 . . . . 0.0 106.894 -177.06 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 18' ' ' MET . . . . . . . . . . . . . 14.9 tpt -54.88 113.81 1.48 Allowed 'General case' 0 C--N 1.317 -0.811 0 O-C-N 124.211 0.944 . . . . 0.0 112.633 -176.827 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -69.9 120.29 15.41 Favored 'General case' 0 C--N 1.322 -0.591 0 N-CA-C 107.391 -1.337 . . . . 0.0 107.391 175.507 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -90.05 147.26 36.76 Favored Pre-proline 0 C--N 1.298 -1.64 0 CA-C-N 115.498 -0.774 . . . . 0.0 111.159 -173.549 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 21' ' ' PRO . . . . . . . . . . . . . 49.2 Cg_exo -57.77 97.02 0.08 OUTLIER 'Trans proline' 0 C--N 1.352 0.718 0 C-N-CA 122.85 2.367 . . . . 0.0 108.476 171.004 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -100.8 21.55 13.41 Favored 'General case' 0 C--N 1.31 -1.137 0 CA-C-N 114.408 -1.269 . . . . 0.0 114.102 -170.846 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 23' ' ' ARG . . . . . 0.653 ' C ' HG12 ' A' ' 44' ' ' ILE . 81.0 mtp180 59.71 30.75 20.35 Favored 'General case' 0 C--N 1.307 -1.27 0 CA-C-O 122.181 0.991 . . . . 0.0 109.289 -174.945 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 24' ' ' SER . . . . . 0.498 ' O ' ' HA ' ' A' ' 84' ' ' PRO . 74.1 m -155.46 133.38 11.39 Favored 'General case' 0 N--CA 1.447 -0.621 0 C-N-CA 124.046 0.938 . . . . 0.0 110.463 178.909 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 25' ' ' CYS . . . . . . . . . . . . . 64.5 m -107.83 130.98 54.95 Favored 'General case' 0 CA--C 1.493 -1.214 0 N-CA-C 105.588 -2.004 . . . . 0.0 105.588 175.899 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 26' ' ' VAL . . . . . 0.643 HG21 ' HB2' ' A' ' 85' ' ' TYR . 3.6 t -113.23 123.29 68.73 Favored 'Isoleucine or valine' 0 C--N 1.282 -2.357 0 N-CA-C 106.851 -1.537 . . . . 0.0 106.851 -172.138 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 27' ' ' TYR . . . . . . . . . . . . . 6.3 m-85 -96.12 130.81 43.07 Favored 'General case' 0 C--N 1.303 -1.444 0 O-C-N 123.986 0.804 . . . . 0.0 110.819 -173.713 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 28' ' ' TYR . . . . . 0.468 ' HA ' ' O ' ' A' ' 37' ' ' VAL . 88.8 m-85 -127.88 145.9 50.8 Favored 'General case' 0 N--CA 1.421 -1.9 0 CA-C-N 114.202 -1.363 . . . . 0.0 109.607 -178.092 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 13.3 t0 -91.3 103.55 16.19 Favored 'General case' 0 C--N 1.299 -1.611 0 N-CA-C 103.861 -2.644 . . . . 0.0 103.861 171.315 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . -154.35 126.62 1.94 Allowed Glycine 0 N--CA 1.423 -2.184 0 C-N-CA 119.314 -1.422 . . . . 0.0 112.264 179.887 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 31' ' ' HIS . . . . . . . . . . . . . 31.3 p-80 -90.15 -20.41 23.12 Favored 'General case' 0 C--N 1.289 -2.064 0 CA-C-N 112.992 -1.604 . . . . 0.0 108.37 178.225 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 11.1 mp -131.55 150.03 75.18 Favored Pre-proline 0 N--CA 1.438 -1.041 0 N-CA-C 104.026 -2.583 . . . . 0.0 104.026 170.462 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 33' ' ' PRO . . . . . . . . . . . . . 26.8 Cg_endo -67.51 -6.95 17.81 Favored 'Trans proline' 0 CA--C 1.537 0.671 0 C-N-CA 121.811 1.674 . . . . 0.0 110.841 175.437 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -88.74 -24.92 22.55 Favored 'General case' 0 N--CA 1.447 -0.585 0 CA-C-N 115.676 -0.693 . . . . 0.0 110.44 176.889 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 18.0 p -106.64 21.23 17.81 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 121.141 0.496 . . . . 0.0 111.058 -177.091 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 30.9 ptt180 -68.09 125.87 27.72 Favored 'General case' 0 CA--C 1.538 0.492 0 CA-C-N 115.054 -0.975 . . . . 0.0 111.156 -179.87 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 37' ' ' VAL . . . . . 0.468 ' O ' ' HA ' ' A' ' 28' ' ' TYR . 47.5 t -110.67 129.4 65.88 Favored 'Isoleucine or valine' 0 C--N 1.314 -0.97 0 N-CA-C 107.719 -1.215 . . . . 0.0 107.719 177.604 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 2.8 tm? -67.15 110.51 3.48 Favored 'General case' 0 C--N 1.324 -0.543 0 N-CA-C 109.236 -0.653 . . . . 0.0 109.236 -177.825 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 91.3 mt -91.39 -60.97 1.75 Allowed 'General case' 0 C--N 1.315 -0.903 0 CA-C-N 116.313 -0.403 . . . . 0.0 111.479 179.133 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 40' ' ' MET . . . . . . . . . . . . . 45.7 ttm -164.53 152.01 11.76 Favored 'General case' 0 N--CA 1.44 -0.932 0 CA-C-N 116.084 -0.507 . . . . 0.0 110.519 -176.232 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 41' ' ' TYR . . . . . . . . . . . . . 87.9 m-85 -96.13 130.6 43.13 Favored 'General case' 0 C--N 1.32 -0.693 0 N-CA-C 107.56 -1.274 . . . . 0.0 107.56 174.294 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 19.6 t -122.95 109.62 24.23 Favored 'Isoleucine or valine' 0 C--N 1.311 -1.098 0 N-CA-C 108.657 -0.868 . . . . 0.0 108.657 178.462 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 3.4 tmt_? -66.94 138.95 57.65 Favored 'General case' 0 C--N 1.307 -1.268 0 N-CA-C 107.776 -1.194 . . . . 0.0 107.776 -179.759 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 44' ' ' ILE . . . . . 0.653 HG12 ' C ' ' A' ' 23' ' ' ARG . 17.4 mm -59.55 123.18 11.43 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.085 0 CA-C-O 121.386 0.613 . . . . 0.0 110.318 -177.887 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . 106.05 -10.77 44.32 Favored Glycine 0 C--N 1.298 -1.545 0 N-CA-C 110.229 -1.148 . . . . 0.0 110.229 179.017 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 46' ' ' ASN . . . . . . . . . . . . . 41.0 t30 -104.95 157.44 17.22 Favored 'General case' 0 C--N 1.31 -1.131 0 CA-C-O 121.564 0.697 . . . . 0.0 109.499 -179.14 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 47' ' ' THR . . . . . 0.406 ' HA ' ' HA ' ' A' ' 60' ' ' GLU . 27.0 p -106.3 152.97 22.86 Favored 'General case' 0 C--N 1.29 -1.983 0 CA-C-N 114.658 -1.155 . . . . 0.0 109.762 -179.827 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -148.82 145.34 27.49 Favored 'General case' 0 C--N 1.293 -1.873 0 C-N-CA 120.05 -0.66 . . . . 0.0 111.9 177.024 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 49' ' ' THR . . . . . 0.422 ' HA ' ' HA ' ' A' ' 58' ' ' GLU . 45.2 m -101.71 108.51 20.05 Favored 'General case' 0 N--CA 1.436 -1.15 0 N-CA-C 107.385 -1.339 . . . . 0.0 107.385 175.848 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 50' ' ' ILE . . . . . . . . . . . . . 16.7 mm -96.45 110.14 24.17 Favored 'Isoleucine or valine' 0 C--N 1.302 -1.479 0 N-CA-C 109.128 -0.693 . . . . 0.0 109.128 -176.003 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 37.0 m -89.31 124.28 34.27 Favored 'General case' 0 C--N 1.295 -1.768 0 N-CA-C 106.523 -1.658 . . . . 0.0 106.523 170.205 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -144.17 123.3 12.9 Favored 'General case' 0 C--N 1.304 -1.407 0 N-CA-C 106.78 -1.563 . . . . 0.0 106.78 177.525 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 53' ' ' ARG . . . . . . . . . . . . . 83.2 mtt180 66.88 20.2 10.58 Favored 'General case' 0 N--CA 1.468 0.471 0 C-N-CA 124.021 0.928 . . . . 0.0 110.257 179.268 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . 87.42 6.62 77.4 Favored Glycine 0 N--CA 1.445 -0.708 0 CA-C-N 114.663 -1.153 . . . . 0.0 112.901 -179.096 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 55' ' ' HIS . . . . . . . . . . . . . 51.8 m-70 -112.76 133.88 54.55 Favored 'General case' 0 C--N 1.32 -0.675 0 N-CA-C 109.319 -0.623 . . . . 0.0 109.319 179.566 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 5.2 mp0 -91.96 130.06 37.79 Favored 'General case' 0 CA--C 1.505 -0.759 0 C-N-CA 123.608 0.763 . . . . 0.0 111.009 179.225 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 57' ' ' PHE . . . . . . . . . . . . . 89.1 m-85 -120.42 102.77 8.68 Favored 'General case' 0 N--CA 1.42 -1.957 0 N-CA-C 106.379 -1.712 . . . . 0.0 106.379 174.888 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 58' ' ' GLU . . . . . 0.422 ' HA ' ' HA ' ' A' ' 49' ' ' THR . 38.6 tt0 -89.27 115.25 26.62 Favored 'General case' 0 N--CA 1.425 -1.72 0 N-CA-C 106.016 -1.846 . . . . 0.0 106.016 177.867 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 59' ' ' VAL . . . . . 0.593 HG12 HD13 ' A' ' 70' ' ' LEU . 29.2 m -119.75 169.12 11.28 Favored 'Isoleucine or valine' 0 C--N 1.291 -1.944 0 CA-C-N 114.918 -1.037 . . . . 0.0 109.852 -176.185 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 60' ' ' GLU . . . . . 0.406 ' HA ' ' HA ' ' A' ' 47' ' ' THR . 34.6 tt0 -128.88 127.7 42.34 Favored 'General case' 0 C--N 1.286 -2.161 0 N-CA-C 104.86 -2.274 . . . . 0.0 104.86 172.559 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -76.68 92.31 3.52 Favored 'General case' 0 C--N 1.307 -1.279 0 N-CA-C 107.703 -1.221 . . . . 0.0 107.703 177.103 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 29.7 mmmt -72.8 -54.86 7.73 Favored 'General case' 0 C--N 1.319 -0.718 0 CA-C-N 114.255 -1.339 . . . . 0.0 112.475 -173.844 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 12.4 t70 -131.12 159.4 37.74 Favored 'General case' 0 C--N 1.308 -1.215 0 N-CA-C 107.926 -1.139 . . . . 0.0 107.926 -172.129 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 64' ' ' GLN . . . . . 0.58 ' HG2' HG13 ' A' ' 44' ' ' ILE . 35.7 mt-30 -82.49 2.58 32.16 Favored 'General case' 0 N--CA 1.463 0.204 0 CA-C-N 118.111 0.414 . . . . 0.0 111.546 -176.04 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 65' ' ' ASN . . . . . . . . . . . . . 22.2 m-80 -75.52 -14.9 60.43 Favored 'General case' 0 CA--C 1.516 -0.36 0 CA-C-O 121.739 0.781 . . . . 0.0 109.145 173.123 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 66' ' ' CYS . . . . . . . . . . . . . 72.3 m 59.07 44.21 16.4 Favored 'General case' 0 N--CA 1.445 -0.712 0 N-CA-C 115.975 1.843 . . . . 0.0 115.975 172.103 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 4.9 mptp? -79.0 154.75 29.25 Favored 'General case' 0 C--N 1.307 -1.24 0 N-CA-C 107.869 -1.16 . . . . 0.0 107.869 166.537 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 68' ' ' VAL . . . . . 0.511 HG21 HD23 ' A' ' 80' ' ' LEU . 4.5 p -90.22 102.65 13.49 Favored 'Isoleucine or valine' 0 C--N 1.282 -2.331 0 CA-C-N 115.115 -0.948 . . . . 0.0 112.068 -177.562 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 69' ' ' ILE . . . . . . . . . . . . . 3.8 mp -111.72 118.75 58.33 Favored 'Isoleucine or valine' 0 N--CA 1.436 -1.165 0 N-CA-C 105.992 -1.855 . . . . 0.0 105.992 175.747 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 70' ' ' LEU . . . . . 0.722 HD21 ' HB2' ' A' ' 76' ' ' ALA . 3.1 mm? -76.48 161.08 28.93 Favored 'General case' 0 N--CA 1.432 -1.349 0 N-CA-C 108.536 -0.913 . . . . 0.0 108.536 178.708 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 71' ' ' THR . . . . . . . . . . . . . 48.3 p -64.45 -24.94 67.79 Favored 'General case' 0 C--N 1.295 -1.795 0 CA-C-N 115.314 -0.857 . . . . 0.0 112.093 179.562 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 72' ' ' ASN . . . . . . . . . . . . . 23.1 p30 -84.1 -6.61 59.43 Favored 'General case' 0 C--N 1.316 -0.853 0 CA-C-N 115.408 -0.814 . . . . 0.0 110.505 177.565 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 73' ' ' GLY . . . . . . . . . . . . . . . 101.58 -5.98 54.89 Favored Glycine 0 N--CA 1.437 -1.277 0 CA-C-N 115.742 -0.663 . . . . 0.0 113.065 173.96 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 44.5 mtmt -77.16 177.0 8.21 Favored 'General case' 0 N--CA 1.444 -0.774 0 CA-C-O 122.55 1.167 . . . . 0.0 113.992 -178.833 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 75' ' ' GLN . . . . . . . . . . . . . 93.8 mt-30 -102.67 155.44 18.3 Favored 'General case' 0 C--N 1.306 -1.312 0 N-CA-C 104.74 -2.319 . . . . 0.0 104.74 170.322 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 76' ' ' ALA . . . . . 0.722 ' HB2' HD21 ' A' ' 70' ' ' LEU . . . -108.49 169.43 6.56 Favored Pre-proline 0 C--N 1.288 -2.093 0 N-CA-C 108.311 -0.996 . . . . 0.0 108.311 179.582 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 77' ' ' PRO . . . . . . . . . . . . . 32.6 Cg_exo -58.44 154.99 38.22 Favored 'Trans proline' 0 C--N 1.357 0.994 0 C-N-CA 122.459 2.106 . . . . 0.0 112.677 -179.649 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 78' ' ' ASP . . . . . . . . . . . . . 5.9 m-20 -59.12 -29.44 67.39 Favored 'General case' 0 N--CA 1.471 0.588 0 C-N-CA 124.71 1.204 . . . . 0.0 112.227 -174.582 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 79' ' ' TRP . . . . . . . . . . . . . 63.4 p-90 -72.55 -18.89 61.59 Favored 'General case' 0 N--CA 1.444 -0.758 0 CA-C-N 115.905 -0.589 . . . . 0.0 111.344 179.962 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 80' ' ' LEU . . . . . 0.511 HD23 HG21 ' A' ' 68' ' ' VAL . 37.0 tp -83.55 102.2 11.98 Favored 'General case' 0 N--CA 1.432 -1.371 0 N-CA-C 106.111 -1.811 . . . . 0.0 106.111 177.543 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -100.08 156.26 17.28 Favored 'General case' 0 C--N 1.304 -1.379 0 CA-C-N 114.914 -1.039 . . . . 0.0 110.266 -175.587 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 82' ' ' ALA . . . . . 0.543 ' HA ' ' O ' ' A' ' 26' ' ' VAL . . . -148.14 133.11 18.14 Favored 'General case' 0 C--N 1.294 -1.821 0 N-CA-C 107.833 -1.173 . . . . 0.0 107.833 175.338 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 10.0 pt-20 -142.36 146.69 40.3 Favored Pre-proline 0 C--N 1.306 -1.293 0 N-CA-C 103.623 -2.732 . . . . 0.0 103.623 178.108 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 84' ' ' PRO . . . . . 0.498 ' HA ' ' O ' ' A' ' 24' ' ' SER . 67.3 Cg_endo -72.49 152.17 54.06 Favored 'Trans proline' 0 N--CA 1.448 -1.186 0 CA-C-N 121.315 1.505 . . . . 0.0 110.858 176.576 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 85' ' ' TYR . . . . . 0.643 ' HB2' HG21 ' A' ' 26' ' ' VAL 0.288 0.1 OUTLIER . . . . . 0 C--N 1.312 -1.028 0 N-CA-C 114.029 1.122 . . . . 0.0 114.029 -175.489 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 23.3 t . . . . . 0 C--O 1.236 0.374 0 N-CA-C 106.985 -1.487 . . . . 0.0 106.985 . . . . . . . . . 0 0 . 1 . 015 nuclear build full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . -81.46 89.68 1.41 Allowed Glycine 0 N--CA 1.437 -1.237 0 C-N-CA 121.253 -0.499 . . . . 0.0 112.846 -176.762 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 5.1 ptp180 -150.06 98.34 2.69 Favored 'General case' 0 C--N 1.307 -1.24 0 N-CA-C 107.328 -1.36 . . . . 0.0 107.328 174.894 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 10' ' ' GLU . . . . . 0.416 ' H ' ' HG2' ' A' ' 10' ' ' GLU . 8.6 pt-20 -76.72 90.75 3.43 Favored 'General case' 0 C--N 1.302 -1.47 0 CA-C-N 114.043 -1.435 . . . . 0.0 110.742 -176.229 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 11' ' ' ASN . . . . . . . . . . . . . 83.2 m-20 -95.14 155.01 16.91 Favored 'General case' 0 C--N 1.309 -1.171 0 CA-C-N 115.049 -0.978 . . . . 0.0 109.7 -178.353 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 3.7 pp -70.2 172.67 7.74 Favored 'General case' 0 C--N 1.305 -1.329 0 CA-C-N 115.095 -0.957 . . . . 0.0 110.675 178.211 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 13' ' ' TYR . . . . . . . . . . . . . 55.7 t80 -87.13 113.45 22.88 Favored 'General case' 0 C--N 1.304 -1.38 0 N-CA-C 107.658 -1.238 . . . . 0.0 107.658 -179.562 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 14' ' ' PHE . . . . . . . . . . . . . 94.3 m-85 -74.38 139.58 44.17 Favored 'General case' 0 C--N 1.314 -0.974 0 N-CA-C 107.675 -1.232 . . . . 0.0 107.675 177.507 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 51.6 tt0 -44.09 113.55 0.54 Allowed 'General case' 0 C--O 1.237 0.408 0 O-C-N 125.14 1.525 . . . . 0.0 111.801 -175.458 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . -83.84 101.4 2.38 Favored Glycine 0 N--CA 1.424 -2.142 0 CA-C-N 114.404 -1.271 . . . . 0.0 111.077 -178.503 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 17' ' ' HIS . . . . . . . . . . . . . 74.2 m80 -73.0 -179.35 3.19 Favored 'General case' 0 C--N 1.306 -1.317 0 N-CA-C 109.233 -0.654 . . . . 0.0 109.233 179.055 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 18' ' ' MET . . . . . . . . . . . . . 25.4 mmt -58.85 161.11 5.14 Favored 'General case' 0 C--O 1.24 0.593 0 CA-C-O 122.264 1.03 . . . . 0.0 113.455 -175.686 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -114.48 -179.02 3.51 Favored 'General case' 0 C--N 1.3 -1.554 0 CA-C-N 114.53 -1.213 . . . . 0.0 109.098 -177.282 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -53.56 126.4 47.79 Favored Pre-proline 0 C--N 1.318 -0.791 0 O-C-N 124.586 1.179 . . . . 0.0 111.292 179.48 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 21' ' ' PRO . . . . . . . . . . . . . 54.8 Cg_exo -46.4 117.37 1.96 Allowed 'Trans proline' 0 C--N 1.355 0.877 0 C-N-CA 124.221 3.28 . . . . 0.0 112.248 176.416 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -67.55 33.28 0.03 OUTLIER 'General case' 0 C--N 1.31 -1.136 0 N-CA-C 117.667 2.469 . . . . 0.0 117.667 -171.963 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 23' ' ' ARG . . . . . 0.608 ' C ' HG12 ' A' ' 44' ' ' ILE . 77.6 mtt85 57.82 25.03 11.48 Favored 'General case' 0 C--N 1.315 -0.916 0 N-CA-C 114.95 1.463 . . . . 0.0 114.95 178.055 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 24' ' ' SER . . . . . 0.669 ' O ' ' HA ' ' A' ' 84' ' ' PRO . 61.9 m -156.81 139.27 14.87 Favored 'General case' 0 C--N 1.31 -1.139 0 O-C-N 121.525 -0.734 . . . . 0.0 109.919 177.015 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 25' ' ' CYS . . . . . . . . . . . . . 87.8 m -107.87 131.31 54.64 Favored 'General case' 0 CA--C 1.497 -1.08 0 N-CA-C 105.505 -2.035 . . . . 0.0 105.505 178.142 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 26' ' ' VAL . . . . . 0.585 ' O ' ' HA ' ' A' ' 82' ' ' ALA . 3.3 t -108.73 124.51 65.32 Favored 'Isoleucine or valine' 0 C--N 1.291 -1.97 0 N-CA-C 107.748 -1.204 . . . . 0.0 107.748 -174.793 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 27' ' ' TYR . . . . . . . . . . . . . 17.3 m-85 -90.22 128.45 36.39 Favored 'General case' 0 C--N 1.294 -1.847 0 O-C-N 124.818 1.324 . . . . 0.0 110.58 -174.565 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 28' ' ' TYR . . . . . 0.565 ' HB3' ' HB3' ' A' ' 36' ' ' ARG . 96.6 m-85 -128.0 158.01 39.07 Favored 'General case' 0 N--CA 1.417 -2.108 0 CA-C-N 114.222 -1.354 . . . . 0.0 110.055 -178.509 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 15.8 t0 -118.16 100.95 7.85 Favored 'General case' 0 C--N 1.302 -1.471 0 N-CA-C 105.489 -2.041 . . . . 0.0 105.489 177.214 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . -173.95 147.18 9.19 Favored Glycine 0 CA--C 1.487 -1.712 0 C-N-CA 119.986 -1.102 . . . . 0.0 111.368 178.09 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 31' ' ' HIS . . . . . 0.414 ' NE2' ' HB3' ' A' ' 79' ' ' TRP . 36.9 m80 -85.2 -31.47 23.19 Favored 'General case' 0 C--N 1.296 -1.725 0 N-CA-C 108.695 -0.854 . . . . 0.0 108.695 174.801 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 2.2 mm? -119.2 156.99 52.15 Favored Pre-proline 0 N--CA 1.443 -0.804 0 N-CA-C 108.048 -1.093 . . . . 0.0 108.048 -179.179 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 33' ' ' PRO . . . . . . . . . . . . . 10.0 Cg_endo -56.26 -36.45 96.84 Favored 'Trans proline' 0 C--N 1.347 0.458 0 C-N-CA 122.675 2.25 . . . . 0.0 110.671 174.361 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -71.7 -20.03 61.98 Favored 'General case' 0 C--N 1.326 -0.446 0 CA-C-N 115.624 -0.716 . . . . 0.0 111.709 -177.795 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 40.2 p -111.78 11.97 20.95 Favored 'General case' 0 N--CA 1.439 -1.005 0 N-CA-C 112.588 0.588 . . . . 0.0 112.588 -176.557 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 36' ' ' ARG . . . . . 0.565 ' HB3' ' HB3' ' A' ' 28' ' ' TYR . 35.8 mmt180 -68.29 146.77 53.0 Favored 'General case' 0 CA--C 1.52 -0.203 0 CA-C-O 121.497 0.665 . . . . 0.0 110.369 178.355 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 37' ' ' VAL . . . . . 0.466 ' O ' ' HA ' ' A' ' 28' ' ' TYR . 67.2 t -122.98 125.45 72.25 Favored 'Isoleucine or valine' 0 C--N 1.3 -1.584 0 N-CA-C 104.684 -2.339 . . . . 0.0 104.684 174.278 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 8.7 tt -77.2 120.2 21.93 Favored 'General case' 0 C--N 1.312 -1.035 0 C-N-CA 119.969 -0.692 . . . . 0.0 109.868 -178.301 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 71.8 mt -90.6 -46.59 8.2 Favored 'General case' 0 C--N 1.31 -1.126 0 CA-C-N 114.886 -1.052 . . . . 0.0 110.04 -179.112 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 40' ' ' MET . . . . . . . . . . . . . 20.2 ptp 179.02 165.16 0.9 Allowed 'General case' 0 N--CA 1.474 0.75 0 O-C-N 123.713 0.633 . . . . 0.0 112.379 179.689 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 41' ' ' TYR . . . . . . . . . . . . . 26.9 m-85 -101.44 131.8 47.37 Favored 'General case' 0 C--N 1.313 -0.991 0 N-CA-C 106.509 -1.663 . . . . 0.0 106.509 175.99 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 43.3 t -124.47 118.52 53.79 Favored 'Isoleucine or valine' 0 C--N 1.308 -1.197 0 N-CA-C 108.793 -0.817 . . . . 0.0 108.793 178.768 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 12.6 ttt180 -59.66 138.69 57.66 Favored 'General case' 0 C--N 1.31 -1.117 0 N-CA-C 108.779 -0.823 . . . . 0.0 108.779 178.171 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 44' ' ' ILE . . . . . 0.608 HG12 ' C ' ' A' ' 23' ' ' ARG . 21.1 mm -58.85 125.58 15.1 Favored 'Isoleucine or valine' 0 C--N 1.315 -0.915 0 N-CA-C 108.047 -1.094 . . . . 0.0 108.047 176.645 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . 107.47 -21.31 30.87 Favored Glycine 0 C--N 1.294 -1.79 0 CA-C-N 114.939 -1.028 . . . . 0.0 110.926 176.061 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 46' ' ' ASN . . . . . . . . . . . . . 50.0 t30 -93.54 159.69 15.12 Favored 'General case' 0 C--N 1.306 -1.321 0 CA-C-N 114.499 -0.851 . . . . 0.0 110.266 -176.247 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 26.2 p -105.27 153.89 20.99 Favored 'General case' 0 C--N 1.29 -2.017 0 CA-C-N 114.605 -1.179 . . . . 0.0 110.037 178.205 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 48' ' ' ALA . . . . . 0.401 ' O ' ' HA ' ' A' ' 58' ' ' GLU . . . -140.03 140.0 36.1 Favored 'General case' 0 C--N 1.292 -1.915 0 CA-C-N 115.471 -0.786 . . . . 0.0 109.928 177.978 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 2.0 m -106.38 105.04 14.88 Favored 'General case' 0 C--N 1.304 -1.382 0 N-CA-C 105.805 -1.924 . . . . 0.0 105.805 179.21 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 50' ' ' ILE . . . . . . . . . . . . . 9.9 mm -97.45 110.35 25.11 Favored 'Isoleucine or valine' 0 C--N 1.311 -1.065 0 N-CA-C 109.649 -0.5 . . . . 0.0 109.649 -175.346 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 51.6 m -91.06 122.85 34.06 Favored 'General case' 0 C--N 1.297 -1.705 0 N-CA-C 106.088 -1.819 . . . . 0.0 106.088 169.829 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -151.49 123.85 8.32 Favored 'General case' 0 C--N 1.307 -1.258 0 N-CA-C 107.667 -1.235 . . . . 0.0 107.667 178.335 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 53' ' ' ARG . . . . . . . . . . . . . 67.0 mtt180 61.3 28.45 17.95 Favored 'General case' 0 C--N 1.325 -0.496 0 CA-C-O 121.764 0.792 . . . . 0.0 112.526 177.09 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . 91.94 -10.74 73.82 Favored Glycine 0 N--CA 1.441 -0.983 0 CA-C-N 114.867 -1.06 . . . . 0.0 113.125 177.766 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 55' ' ' HIS . . . . . . . . . . . . . 13.3 m-70 -102.14 127.59 49.0 Favored 'General case' 0 C--N 1.308 -1.212 0 CA-C-N 117.289 0.545 . . . . 0.0 110.29 -177.471 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 12.3 mp0 -85.79 116.82 24.28 Favored 'General case' 0 N--CA 1.436 -1.147 0 N-CA-C 107.379 -1.341 . . . . 0.0 107.379 168.827 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 57' ' ' PHE . . . . . . . . . . . . . 83.4 m-85 -104.12 100.2 9.94 Favored 'General case' 0 N--CA 1.424 -1.74 0 N-CA-C 105.459 -2.052 . . . . 0.0 105.459 175.768 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 58' ' ' GLU . . . . . 0.401 ' HA ' ' O ' ' A' ' 48' ' ' ALA . 31.6 tt0 -93.32 111.81 23.56 Favored 'General case' 0 N--CA 1.423 -1.824 0 N-CA-C 106.258 -1.756 . . . . 0.0 106.258 177.178 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 59' ' ' VAL . . . . . 0.416 HG12 HD13 ' A' ' 70' ' ' LEU . 29.9 m -114.96 166.22 9.07 Favored 'Isoleucine or valine' 0 C--N 1.285 -2.23 0 CA-C-N 113.759 -1.564 . . . . 0.0 109.336 -175.178 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 44.0 tt0 -126.4 126.11 43.3 Favored 'General case' 0 C--N 1.282 -2.353 0 N-CA-C 104.951 -2.241 . . . . 0.0 104.951 175.149 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -76.89 89.67 3.49 Favored 'General case' 0 C--N 1.313 -0.99 0 N-CA-C 105.796 -1.928 . . . . 0.0 105.796 175.765 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 30.4 mmmt -61.74 -58.24 8.77 Favored 'General case' 0 C--N 1.315 -0.927 0 CA-C-N 113.953 -1.476 . . . . 0.0 112.009 -172.09 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 23.1 t70 -151.19 173.37 14.5 Favored 'General case' 0 C--N 1.314 -0.974 0 CA-C-N 115.092 -0.958 . . . . 0.0 109.219 -173.515 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 64' ' ' GLN . . . . . . . . . . . . . 16.9 pt20 -64.72 -7.35 10.5 Favored 'General case' 0 C--O 1.238 0.449 0 N-CA-C 115.221 1.563 . . . . 0.0 115.221 -175.436 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 65' ' ' ASN . . . . . . . . . . . . . 19.9 m120 -62.75 -33.79 75.89 Favored 'General case' 0 CA--C 1.515 -0.378 0 N-CA-C 108.161 -1.052 . . . . 0.0 108.161 173.06 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 66' ' ' CYS . . . . . 0.54 ' O ' ' HB3' ' A' ' 82' ' ' ALA . 95.6 m 64.23 31.32 13.17 Favored 'General case' 0 CA--C 1.51 -0.57 0 CA-C-N 114.433 -1.258 . . . . 0.0 113.064 -179.974 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 67' ' ' LYS . . . . . 0.6 ' HA ' ' HE3' ' A' ' 67' ' ' LYS . 0.0 OUTLIER -71.1 134.86 47.35 Favored 'General case' 0 N--CA 1.408 -2.544 0 N-CA-C 106.792 -1.559 . . . . 0.0 106.792 172.415 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 68' ' ' VAL . . . . . 0.411 HG23 HG11 ' A' ' 59' ' ' VAL . 3.3 p -72.34 99.86 0.96 Allowed 'Isoleucine or valine' 0 C--N 1.305 -1.351 0 CA-C-O 122.554 1.169 . . . . 0.0 109.86 177.562 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 69' ' ' ILE . . . . . . . . . . . . . 83.4 mt -116.76 120.39 64.89 Favored 'Isoleucine or valine' 0 C--N 1.299 -1.612 0 N-CA-C 106.227 -1.768 . . . . 0.0 106.227 179.498 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 70' ' ' LEU . . . . . 0.737 HD21 ' HB2' ' A' ' 76' ' ' ALA . 3.6 mm? -76.37 157.34 32.47 Favored 'General case' 0 N--CA 1.422 -1.826 0 CA-C-N 114.458 -1.246 . . . . 0.0 109.725 -176.119 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 71' ' ' THR . . . . . . . . . . . . . 30.4 p -63.48 -28.11 69.74 Favored 'General case' 0 C--N 1.293 -1.855 0 CA-C-N 114.786 -1.097 . . . . 0.0 112.036 -178.904 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 72' ' ' ASN . . . . . . . . . . . . . 34.1 p-10 -94.26 6.81 47.49 Favored 'General case' 0 C--N 1.308 -1.196 0 CA-C-N 115.002 -0.999 . . . . 0.0 109.634 -177.104 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 73' ' ' GLY . . . . . . . . . . . . . . . 88.93 7.76 70.23 Favored Glycine 0 N--CA 1.436 -1.364 0 CA-C-N 114.691 -1.14 . . . . 0.0 112.916 171.896 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 42.1 mtmt -80.91 168.45 18.73 Favored 'General case' 0 N--CA 1.427 -1.61 0 C-N-CA 118.41 -1.316 . . . . 0.0 113.309 178.474 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 75' ' ' GLN . . . . . . . . . . . . . 49.9 mt-30 -97.3 151.5 19.83 Favored 'General case' 0 C--N 1.301 -1.509 0 CA-C-N 112.029 -2.35 . . . . 0.0 105.111 171.209 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 76' ' ' ALA . . . . . 0.737 ' HB2' HD21 ' A' ' 70' ' ' LEU . . . -108.56 164.21 15.24 Favored Pre-proline 0 C--N 1.282 -2.337 0 C-N-CA 120.17 -0.612 . . . . 0.0 110.101 -179.596 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 77' ' ' PRO . . . . . 0.432 ' HD2' ' HB1' ' A' ' 76' ' ' ALA . 49.9 Cg_exo -46.83 149.37 3.2 Favored 'Trans proline' 0 C--N 1.355 0.887 0 C-N-CA 123.685 2.923 . . . . 0.0 114.428 178.871 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 78' ' ' ASP . . . . . . . . . . . . . 30.9 t70 -56.96 -23.48 45.88 Favored 'General case' 0 C--N 1.322 -0.589 0 C-N-CA 125.32 1.448 . . . . 0.0 112.263 -178.061 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 79' ' ' TRP . . . . . 0.414 ' HB3' ' NE2' ' A' ' 31' ' ' HIS . 58.3 p-90 -89.48 -12.35 40.33 Favored 'General case' 0 C--N 1.319 -0.741 0 N-CA-C 112.798 0.666 . . . . 0.0 112.798 179.955 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 80' ' ' LEU . . . . . 0.561 HD23 ' HB1' ' A' ' 76' ' ' ALA . 32.8 tp -91.4 113.92 26.31 Favored 'General case' 0 C--N 1.304 -1.409 0 N-CA-C 106.917 -1.512 . . . . 0.0 106.917 -178.512 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -127.19 161.93 27.36 Favored 'General case' 0 C--N 1.306 -1.292 0 CA-C-O 121.039 0.447 . . . . 0.0 111.178 -175.58 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 82' ' ' ALA . . . . . 0.585 ' HA ' ' O ' ' A' ' 26' ' ' VAL . . . -144.01 140.15 29.42 Favored 'General case' 0 C--N 1.303 -1.433 0 CA-C-N 115.083 -0.962 . . . . 0.0 109.256 174.291 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 8.7 pt-20 -145.7 143.65 20.38 Favored Pre-proline 0 C--N 1.308 -1.204 0 N-CA-C 106.563 -1.643 . . . . 0.0 106.563 178.846 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 84' ' ' PRO . . . . . 0.669 ' HA ' ' O ' ' A' ' 24' ' ' SER . 73.6 Cg_endo -64.22 134.1 40.85 Favored 'Trans proline' 0 C--O 1.24 0.583 0 C-N-CA 122.211 1.941 . . . . 0.0 112.678 -179.805 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 85' ' ' TYR . . . . . 0.412 ' HD2' ' HB2' ' A' ' 24' ' ' SER . 0.6 OUTLIER . . . . . 0 C--N 1.322 -0.59 0 CA-C-N 114.375 -1.284 . . . . 0.0 111.768 -173.402 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 22.2 m . . . . . 0 C--O 1.239 0.544 0 CA-C-O 120.989 0.424 . . . . 0.0 110.521 . . . . . . . . . 0 0 . 1 . 016 nuclear build full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . -149.31 88.22 0.14 Allowed Glycine 0 N--CA 1.433 -1.507 0 N-CA-C 106.655 -2.578 . . . . 0.0 106.655 174.95 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 71.1 mtp180 -123.97 114.62 20.02 Favored 'General case' 0 C--N 1.304 -1.385 0 CA-C-O 121.373 0.606 . . . . 0.0 111.744 -174.279 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -144.68 152.09 39.91 Favored 'General case' 0 N--CA 1.425 -1.691 0 N-CA-C 107.462 -1.311 . . . . 0.0 107.462 173.628 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 11' ' ' ASN . . . . . . . . . . . . . 50.4 t-20 -134.99 89.61 2.54 Favored 'General case' 0 C--N 1.294 -1.809 0 N-CA-C 104.103 -2.554 . . . . 0.0 104.103 175.394 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 4.0 pp -85.43 163.45 18.48 Favored 'General case' 0 C--N 1.307 -1.25 0 CA-C-N 115.251 -0.886 . . . . 0.0 111.563 -175.423 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 13' ' ' TYR . . . . . . . . . . . . . 19.2 m-85 -135.79 143.96 45.5 Favored 'General case' 0 C--N 1.295 -1.788 0 CA-C-N 114.646 -1.161 . . . . 0.0 111.965 -178.023 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 14' ' ' PHE . . . . . . . . . . . . . 81.0 m-85 -128.76 109.64 11.48 Favored 'General case' 0 C--N 1.303 -1.429 0 N-CA-C 105.581 -2.007 . . . . 0.0 105.581 172.204 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 53.6 mt-30 -134.02 164.74 26.64 Favored 'General case' 0 C--N 1.306 -1.286 0 N-CA-C 106.91 -1.515 . . . . 0.0 106.91 -179.838 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . -73.12 89.42 0.58 Allowed Glycine 0 N--CA 1.441 -0.972 0 O-C-N 124.364 1.04 . . . . 0.0 110.714 -178.767 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 17' ' ' HIS . . . . . . . . . . . . . 62.4 m170 -96.85 155.38 16.8 Favored 'General case' 0 C--N 1.308 -1.198 0 N-CA-C 109.061 -0.718 . . . . 0.0 109.061 179.809 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 18' ' ' MET . . . . . . . . . . . . . 9.4 tpt -80.9 176.03 10.17 Favored 'General case' 0 C--N 1.315 -0.906 0 N-CA-C 105.758 -1.941 . . . . 0.0 105.758 175.621 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -28.7 97.22 0.01 OUTLIER 'General case' 0 N--CA 1.489 1.48 0 C-N-CA 125.749 1.619 . . . . 0.0 114.373 -173.645 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -111.11 163.88 16.28 Favored Pre-proline 0 N--CA 1.441 -0.878 0 CA-C-N 113.933 -1.485 . . . . 0.0 109.108 -178.123 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 21' ' ' PRO . . . . . . . . . . . . . 16.5 Cg_exo -70.43 88.59 0.61 Allowed 'Trans proline' 0 N--CA 1.445 -1.377 0 N-CA-C 109.029 -1.181 . . . . 0.0 109.029 172.692 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -101.54 8.15 42.02 Favored 'General case' 0 C--N 1.306 -1.289 0 CA-C-O 122.801 1.286 . . . . 0.0 109.254 179.499 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 23' ' ' ARG . . . . . 0.566 ' C ' HG12 ' A' ' 44' ' ' ILE . 55.9 mtp180 49.55 37.73 13.05 Favored 'General case' 0 C--N 1.303 -1.428 0 CA-C-N 112.229 -2.259 . . . . 0.0 114.281 177.924 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 24' ' ' SER . . . . . 0.607 ' O ' ' HA ' ' A' ' 84' ' ' PRO . 56.5 m -156.28 139.03 15.17 Favored 'General case' 0 C--N 1.32 -0.715 0 N-CA-C 108.89 -0.781 . . . . 0.0 108.89 174.896 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 25' ' ' CYS . . . . . . . . . . . . . 86.4 m -107.68 131.48 54.36 Favored 'General case' 0 N--CA 1.436 -1.152 0 N-CA-C 106.426 -1.694 . . . . 0.0 106.426 176.441 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 26' ' ' VAL . . . . . 0.511 ' CG2' ' HB3' ' A' ' 85' ' ' TYR . 2.6 t -110.66 120.38 61.35 Favored 'Isoleucine or valine' 0 C--N 1.292 -1.919 0 N-CA-C 106.792 -1.558 . . . . 0.0 106.792 -176.417 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 27' ' ' TYR . . . . . . . . . . . . . 28.8 m-85 -94.25 128.77 40.91 Favored 'General case' 0 C--N 1.304 -1.402 0 O-C-N 124.13 0.894 . . . . 0.0 110.21 -175.468 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 28' ' ' TYR . . . . . 0.532 ' HA ' ' O ' ' A' ' 37' ' ' VAL . 86.7 m-85 -124.33 145.78 49.22 Favored 'General case' 0 N--CA 1.418 -2.042 0 CA-C-N 114.183 -1.371 . . . . 0.0 109.288 179.563 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 29' ' ' ASP . . . . . 0.404 ' HB3' ' HB ' ' A' ' 37' ' ' VAL . 8.0 t0 -98.35 108.65 21.39 Favored 'General case' 0 C--N 1.298 -1.645 0 N-CA-C 104.84 -2.281 . . . . 0.0 104.84 172.794 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . -170.1 134.82 3.29 Favored Glycine 0 N--CA 1.426 -2.021 0 C-N-CA 119.315 -1.422 . . . . 0.0 112.378 179.12 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 31' ' ' HIS . . . . . . . . . . . . . 22.7 m80 -71.47 -46.89 58.7 Favored 'General case' 0 C--N 1.3 -1.578 0 N-CA-C 106.684 -1.599 . . . . 0.0 106.684 -178.59 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 3.4 mm? -120.25 161.69 37.61 Favored Pre-proline 0 C--N 1.316 -0.887 0 N-CA-C 106.371 -1.714 . . . . 0.0 106.371 176.96 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 33' ' ' PRO . . . . . 0.553 ' O ' ' HG2' ' A' ' 36' ' ' ARG . 14.4 Cg_endo -63.04 -13.38 34.9 Favored 'Trans proline' 0 CA--C 1.54 0.794 0 C-N-CA 122.403 2.069 . . . . 0.0 111.663 174.936 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -78.64 -13.84 59.62 Favored 'General case' 0 C--N 1.32 -0.696 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.489 175.601 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 36.2 p -119.01 5.82 11.34 Favored 'General case' 0 C--N 1.322 -0.592 0 N-CA-C 112.62 0.6 . . . . 0.0 112.62 -176.259 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 36' ' ' ARG . . . . . 0.553 ' HG2' ' O ' ' A' ' 33' ' ' PRO . 34.7 ptt180 -61.86 114.63 3.45 Favored 'General case' 0 CA--C 1.537 0.469 0 N-CA-C 113.146 0.795 . . . . 0.0 113.146 -177.45 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 37' ' ' VAL . . . . . 0.532 ' O ' ' HA ' ' A' ' 28' ' ' TYR . 72.3 t -101.6 127.67 54.75 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.588 0 N-CA-C 107.732 -1.21 . . . . 0.0 107.732 -179.354 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 2.7 tm? -67.59 110.9 3.89 Favored 'General case' 0 C--N 1.316 -0.884 0 N-CA-C 108.833 -0.802 . . . . 0.0 108.833 -177.495 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 96.6 mt -90.98 -61.53 1.65 Allowed 'General case' 0 C--N 1.322 -0.608 0 CA-C-N 116.754 -0.203 . . . . 0.0 111.058 178.955 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 40' ' ' MET . . . . . . . . . . . . . 29.0 ttp -170.06 156.98 6.27 Favored 'General case' 0 N--CA 1.445 -0.704 0 CA-C-N 116.292 -0.413 . . . . 0.0 110.203 -177.8 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 41' ' ' TYR . . . . . . . . . . . . . 34.6 m-85 -98.29 138.98 34.75 Favored 'General case' 0 C--N 1.315 -0.911 0 C-N-CA 124.385 1.074 . . . . 0.0 108.82 175.807 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 46.0 t -127.59 128.59 69.81 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.812 0 N-CA-C 107.692 -1.225 . . . . 0.0 107.692 176.6 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 43' ' ' ARG . . . . . 0.447 ' HD2' ' OG ' ' A' ' 24' ' ' SER . 2.8 tpt180 -75.01 138.39 42.17 Favored 'General case' 0 C--N 1.307 -1.28 0 N-CA-C 108.364 -0.976 . . . . 0.0 108.364 -178.245 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 44' ' ' ILE . . . . . 0.566 HG12 ' C ' ' A' ' 23' ' ' ARG . 45.4 mm -59.7 120.79 6.02 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.113 0 CA-C-O 121.781 0.8 . . . . 0.0 110.012 178.211 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . 113.03 -10.97 24.81 Favored Glycine 0 C--N 1.292 -1.873 0 CA-C-N 114.512 -1.222 . . . . 0.0 110.613 177.555 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 46' ' ' ASN . . . . . . . . . . . . . 54.2 t30 -108.81 158.49 17.6 Favored 'General case' 0 C--N 1.31 -1.126 0 CA-C-O 121.77 0.795 . . . . 0.0 110.505 -177.194 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 40.2 p -108.6 152.78 24.31 Favored 'General case' 0 C--N 1.291 -1.959 0 CA-C-N 114.535 -1.211 . . . . 0.0 108.236 177.728 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -153.66 149.76 27.88 Favored 'General case' 0 C--N 1.295 -1.783 0 C-N-CA 120.251 -0.58 . . . . 0.0 111.041 -179.135 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 26.5 m -103.97 116.25 31.92 Favored 'General case' 0 C--N 1.303 -1.434 0 N-CA-C 108.452 -0.944 . . . . 0.0 108.452 178.528 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 50' ' ' ILE . . . . . . . . . . . . . 10.8 mm -106.03 113.92 44.04 Favored 'Isoleucine or valine' 0 C--O 1.211 -0.928 0 N-CA-C 108.778 -0.823 . . . . 0.0 108.778 -178.455 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 19.5 m -87.32 123.49 32.36 Favored 'General case' 0 C--N 1.297 -1.707 0 C-N-CA 116.92 -1.912 . . . . 0.0 105.844 172.16 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -146.42 121.78 10.28 Favored 'General case' 0 C--N 1.306 -1.323 0 N-CA-C 107.682 -1.229 . . . . 0.0 107.682 179.77 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 53' ' ' ARG . . . . . 0.455 ' HD2' ' CZ2' ' A' ' 79' ' ' TRP . 85.1 mtt180 61.96 22.66 13.23 Favored 'General case' 0 C--N 1.323 -0.551 0 C-N-CA 124.985 1.314 . . . . 0.0 111.233 -179.212 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . 89.66 3.53 74.24 Favored Glycine 0 N--CA 1.447 -0.627 0 CA-C-N 115.156 -0.929 . . . . 0.0 113.039 -179.23 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 55' ' ' HIS . . . . . . . . . . . . . 69.5 m-70 -107.98 127.9 54.17 Favored 'General case' 0 C--N 1.313 -0.993 0 N-CA-C 108.46 -0.941 . . . . 0.0 108.46 176.927 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 8.6 mt-10 -90.1 116.78 28.38 Favored 'General case' 0 C--N 1.306 -1.314 0 N-CA-C 109.094 -0.706 . . . . 0.0 109.094 173.701 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 57' ' ' PHE . . . . . . . . . . . . . 90.0 m-85 -101.62 104.48 15.34 Favored 'General case' 0 N--CA 1.414 -2.251 0 N-CA-C 106.936 -1.505 . . . . 0.0 106.936 180.0 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 34.0 tt0 -91.1 110.28 21.54 Favored 'General case' 0 N--CA 1.421 -1.901 0 N-CA-C 103.193 -2.892 . . . . 0.0 103.193 177.286 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 59' ' ' VAL . . . . . 0.618 HG12 HD13 ' A' ' 70' ' ' LEU . 22.0 m -112.37 165.09 7.56 Favored 'Isoleucine or valine' 0 C--N 1.292 -1.898 0 CA-C-N 115.409 -0.814 . . . . 0.0 110.609 -174.898 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 38.1 tt0 -124.77 104.64 8.75 Favored 'General case' 0 N--CA 1.418 -2.034 0 N-CA-C 105.377 -2.083 . . . . 0.0 105.377 176.555 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -78.0 88.51 4.15 Favored 'General case' 0 C--N 1.317 -0.806 0 N-CA-C 106.29 -1.745 . . . . 0.0 106.29 178.5 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 19.3 ptmt -84.55 -35.01 23.12 Favored 'General case' 0 C--N 1.302 -1.468 0 N-CA-C 114.456 1.28 . . . . 0.0 114.456 -173.333 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 19.9 t70 -146.19 155.98 43.09 Favored 'General case' 0 C--N 1.317 -0.82 0 N-CA-C 109.584 -0.525 . . . . 0.0 109.584 -175.902 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 64' ' ' GLN . . . . . . . . . . . . . 0.9 OUTLIER -62.51 -5.69 2.78 Favored 'General case' 0 C--N 1.326 -0.436 0 C-N-CA 125.423 1.489 . . . . 0.0 114.626 -179.434 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 65' ' ' ASN . . . . . 0.433 ' OD1' ' HB2' ' A' ' 67' ' ' LYS . 22.4 t-20 -66.09 -32.36 73.77 Favored 'General case' 0 C--N 1.33 -0.281 0 N-CA-C 108.241 -1.022 . . . . 0.0 108.241 171.564 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 66' ' ' CYS . . . . . 0.479 ' O ' ' HB3' ' A' ' 82' ' ' ALA . 84.0 m 62.55 32.91 16.27 Favored 'General case' 0 CA--C 1.51 -0.561 0 N-CA-C 114.976 1.473 . . . . 0.0 114.976 176.751 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 67' ' ' LYS . . . . . 0.534 ' HA ' ' HE3' ' A' ' 67' ' ' LYS . 0.0 OUTLIER -67.59 132.11 46.92 Favored 'General case' 0 N--CA 1.412 -2.346 0 N-CA-C 107.462 -1.31 . . . . 0.0 107.462 171.4 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 68' ' ' VAL . . . . . 0.501 HG21 HD23 ' A' ' 80' ' ' LEU . 7.1 p -71.67 106.18 2.15 Favored 'Isoleucine or valine' 0 C--N 1.307 -1.266 0 CA-C-O 122.735 1.255 . . . . 0.0 110.999 179.314 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 69' ' ' ILE . . . . . . . . . . . . . 95.8 mt -124.46 119.68 57.05 Favored 'Isoleucine or valine' 0 N--CA 1.428 -1.566 0 N-CA-C 106.13 -1.804 . . . . 0.0 106.13 179.231 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 70' ' ' LEU . . . . . 0.746 HD21 ' HB2' ' A' ' 76' ' ' ALA . 2.9 mm? -79.76 157.21 27.17 Favored 'General case' 0 N--CA 1.426 -1.672 0 CA-C-N 114.841 -1.072 . . . . 0.0 109.558 -177.145 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 71' ' ' THR . . . . . . . . . . . . . 55.6 p -64.22 -23.6 67.37 Favored 'General case' 0 C--N 1.292 -1.928 0 CA-C-N 114.359 -1.292 . . . . 0.0 111.444 178.478 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 72' ' ' ASN . . . . . . . . . . . . . 57.0 m-80 -78.22 -6.68 55.63 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 115.156 -0.929 . . . . 0.0 109.72 178.439 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 73' ' ' GLY . . . . . . . . . . . . . . . 83.77 32.59 23.84 Favored Glycine 0 CA--C 1.495 -1.202 0 N-CA-C 109.843 -1.303 . . . . 0.0 109.843 177.45 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 74.1 mmtt -114.1 169.66 8.85 Favored 'General case' 0 N--CA 1.43 -1.428 0 CA-C-N 114.268 -0.966 . . . . 0.0 111.77 -175.837 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 75' ' ' GLN . . . . . . . . . . . . . 55.5 mt-30 -97.7 147.61 24.17 Favored 'General case' 0 C--N 1.31 -1.119 0 CA-C-N 113.895 -1.502 . . . . 0.0 106.995 172.328 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 76' ' ' ALA . . . . . 0.746 ' HB2' HD21 ' A' ' 70' ' ' LEU . . . -104.57 170.93 5.48 Favored Pre-proline 0 C--N 1.301 -1.536 0 N-CA-C 107.45 -1.315 . . . . 0.0 107.45 177.699 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 77' ' ' PRO . . . . . . . . . . . . . 56.9 Cg_exo -58.55 156.06 33.5 Favored 'Trans proline' 0 C--N 1.349 0.567 0 C-N-CA 122.216 1.944 . . . . 0.0 113.087 178.61 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 78' ' ' ASP . . . . . . . . . . . . . 8.5 p-10 -63.06 -24.77 68.06 Favored 'General case' 0 C--N 1.317 -0.815 0 C-N-CA 124.122 0.969 . . . . 0.0 111.702 -178.012 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 79' ' ' TRP . . . . . 0.455 ' CZ2' ' HD2' ' A' ' 53' ' ' ARG . 53.4 p-90 -77.0 -16.07 59.44 Favored 'General case' 0 N--CA 1.45 -0.47 0 CA-C-O 120.972 0.415 . . . . 0.0 111.704 179.827 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 80' ' ' LEU . . . . . 0.501 HD23 HG21 ' A' ' 68' ' ' VAL . 50.9 tp -87.25 99.01 11.65 Favored 'General case' 0 N--CA 1.435 -1.179 0 N-CA-C 107.334 -1.358 . . . . 0.0 107.334 -179.299 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -109.43 125.64 52.63 Favored 'General case' 0 C--N 1.303 -1.44 0 C-N-CA 119.858 -0.737 . . . . 0.0 112.066 -173.769 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 82' ' ' ALA . . . . . 0.479 ' HB3' ' O ' ' A' ' 66' ' ' CYS . . . -111.25 135.9 51.12 Favored 'General case' 0 C--N 1.298 -1.647 0 N-CA-C 108.418 -0.956 . . . . 0.0 108.418 174.56 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 8.3 pt-20 -139.54 141.73 29.42 Favored Pre-proline 0 C--N 1.305 -1.342 0 N-CA-C 107.171 -1.418 . . . . 0.0 107.171 177.332 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 84' ' ' PRO . . . . . 0.607 ' HA ' ' O ' ' A' ' 24' ' ' SER . 52.0 Cg_endo -71.0 132.4 21.28 Favored 'Trans proline' 0 CA--C 1.542 0.898 0 C-N-CA 122.379 2.052 . . . . 0.0 111.754 -178.631 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 85' ' ' TYR . . . . . 0.607 ' CD1' ' HB2' ' A' ' 24' ' ' SER 0.305 0.2 OUTLIER . . . . . 0 C--O 1.246 0.888 0 N-CA-C 116.673 2.101 . . . . 0.0 116.673 -170.553 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 13.9 p . . . . . 0 C--O 1.237 0.409 0 N-CA-C 109.38 -0.6 . . . . 0.0 109.38 . . . . . . . . . 0 0 . 1 . 017 nuclear build full ' A' A ' 8' ' ' GLY . . . . . 0.495 ' HA3' ' HB3' ' A' ' 31' ' ' HIS . . . -107.51 89.73 0.6 Allowed Glycine 0 N--CA 1.43 -1.733 0 C-N-CA 120.555 -0.831 . . . . 0.0 112.057 -179.297 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 28.8 ptt180 -112.04 158.37 19.64 Favored 'General case' 0 C--N 1.307 -1.28 0 N-CA-C 105.767 -1.938 . . . . 0.0 105.767 175.768 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 39.0 tt0 -77.12 93.89 3.97 Favored 'General case' 0 N--CA 1.434 -1.26 0 CA-C-O 122.111 0.958 . . . . 0.0 111.135 -177.841 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 11' ' ' ASN . . . . . . . . . . . . . 40.8 t30 -126.04 151.35 47.25 Favored 'General case' 0 C--N 1.295 -1.768 0 N-CA-C 104.183 -2.525 . . . . 0.0 104.183 173.095 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 4.6 pp -80.88 143.51 32.67 Favored 'General case' 0 C--N 1.305 -1.346 0 C-N-CA 119.419 -0.913 . . . . 0.0 109.173 179.93 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 13' ' ' TYR . . . . . . . . . . . . . 78.6 m-85 -149.02 167.99 24.33 Favored 'General case' 0 C--N 1.282 -2.351 0 N-CA-C 105.02 -2.215 . . . . 0.0 105.02 179.443 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 14' ' ' PHE . . . . . . . . . . . . . 52.1 t80 -73.34 148.71 43.2 Favored 'General case' 0 C--N 1.31 -1.131 0 N-CA-C 107.16 -1.422 . . . . 0.0 107.16 175.516 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 51.3 mt-30 -80.38 177.11 9.2 Favored 'General case' 0 C--N 1.309 -1.19 0 CA-C-O 121.356 0.598 . . . . 0.0 110.106 -178.224 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . -78.69 145.59 29.02 Favored Glycine 0 N--CA 1.427 -1.905 0 N-CA-C 107.541 -2.224 . . . . 0.0 107.541 174.936 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 17' ' ' HIS . . . . . . . . . . . . . 62.0 m80 -64.72 126.99 29.68 Favored 'General case' 0 C--N 1.309 -1.184 0 N-CA-C 106.511 -1.663 . . . . 0.0 106.511 178.737 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 18' ' ' MET . . . . . . . . . . . . . 16.1 tpt -56.78 121.59 10.18 Favored 'General case' 0 C--N 1.321 -0.635 0 CA-C-O 121.641 0.734 . . . . 0.0 112.461 -172.113 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -84.15 140.17 31.94 Favored 'General case' 0 N--CA 1.429 -1.49 0 CA-C-N 114.407 -1.27 . . . . 0.0 108.768 -178.914 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -89.39 145.27 33.6 Favored Pre-proline 0 C--N 1.302 -1.467 0 CA-C-N 115.347 -0.842 . . . . 0.0 109.195 -179.356 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 21' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -57.8 115.92 2.86 Favored 'Trans proline' 0 CA--C 1.534 0.522 0 C-N-CA 122.9 2.4 . . . . 0.0 110.417 177.67 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -128.33 19.99 6.3 Favored 'General case' 0 C--N 1.314 -0.953 0 N-CA-C 113.742 1.015 . . . . 0.0 113.742 -173.373 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 23' ' ' ARG . . . . . 0.534 ' C ' HG12 ' A' ' 44' ' ' ILE . 19.7 ttm-85 65.34 25.18 12.1 Favored 'General case' 0 C--N 1.304 -1.398 0 C-N-CA 125.073 1.349 . . . . 0.0 114.203 179.551 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 24' ' ' SER . . . . . 0.709 ' O ' ' HA ' ' A' ' 84' ' ' PRO . 74.7 m -155.01 141.48 18.75 Favored 'General case' 0 C--N 1.315 -0.896 0 O-C-N 120.114 -1.616 . . . . 0.0 109.315 172.854 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 25' ' ' CYS . . . . . . . . . . . . . 94.8 m -107.66 131.41 54.42 Favored 'General case' 0 CA--C 1.497 -1.066 0 N-CA-C 106.78 -1.563 . . . . 0.0 106.78 177.74 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 26' ' ' VAL . . . . . 0.601 ' O ' ' HA ' ' A' ' 82' ' ' ALA . 2.9 t -112.39 123.35 68.03 Favored 'Isoleucine or valine' 0 C--N 1.291 -1.953 0 N-CA-C 106.913 -1.514 . . . . 0.0 106.913 -176.144 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 27' ' ' TYR . . . . . 0.438 ' HA ' ' O ' ' A' ' 81' ' ' ALA . 58.1 m-85 -93.96 135.22 35.53 Favored 'General case' 0 C--N 1.295 -1.8 0 O-C-N 124.436 1.085 . . . . 0.0 109.962 -174.627 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 28' ' ' TYR . . . . . 0.443 ' CE2' ' HG2' ' A' ' 83' ' ' GLU . 37.4 m-85 -127.53 146.63 50.45 Favored 'General case' 0 N--CA 1.42 -1.957 0 CA-C-N 114.691 -1.141 . . . . 0.0 108.68 -179.048 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 15.7 t0 -97.97 107.06 19.45 Favored 'General case' 0 C--N 1.293 -1.887 0 N-CA-C 104.46 -2.422 . . . . 0.0 104.46 173.335 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . -162.88 129.2 1.99 Allowed Glycine 0 N--CA 1.425 -2.086 0 C-N-CA 118.015 -2.04 . . . . 0.0 114.864 -179.31 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 31' ' ' HIS . . . . . 0.495 ' HB3' ' HA3' ' A' ' 8' ' ' GLY . 31.0 m170 -73.66 -34.27 64.87 Favored 'General case' 0 C--N 1.299 -1.596 0 CA-C-N 112.685 -1.758 . . . . 0.0 107.836 177.492 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 28.8 mt -129.3 157.55 75.8 Favored Pre-proline 0 N--CA 1.44 -0.937 0 N-CA-C 104.604 -2.369 . . . . 0.0 104.604 179.842 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 33' ' ' PRO . . . . . . . . . . . . . 39.4 Cg_endo -69.61 -6.89 19.61 Favored 'Trans proline' 0 CA--C 1.536 0.587 0 C-N-CA 121.878 1.719 . . . . 0.0 110.836 174.61 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -90.58 -47.13 7.87 Favored 'General case' 0 N--CA 1.45 -0.459 0 CA-C-O 121.424 0.63 . . . . 0.0 110.848 -178.121 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 17.1 p -93.76 21.7 6.24 Favored 'General case' 0 C--N 1.315 -0.902 0 N-CA-C 112.85 0.685 . . . . 0.0 112.85 -174.485 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 35.9 ptt180 -76.96 160.43 29.17 Favored 'General case' 0 C--N 1.315 -0.928 0 N-CA-C 112.497 0.554 . . . . 0.0 112.497 -176.427 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 37' ' ' VAL . . . . . 0.411 ' O ' ' HA ' ' A' ' 28' ' ' TYR . 46.9 t -127.69 133.65 67.15 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 N-CA-C 107.944 -1.132 . . . . 0.0 107.944 -176.119 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 2.5 tm? -72.39 112.76 8.74 Favored 'General case' 0 C--N 1.317 -0.84 0 N-CA-C 108.211 -1.033 . . . . 0.0 108.211 -179.274 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 98.1 mt -91.1 -61.76 1.59 Allowed 'General case' 0 C--N 1.32 -0.698 0 N-CA-C 112.368 0.507 . . . . 0.0 112.368 179.928 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 40' ' ' MET . . . . . . . . . . . . . 2.2 ttp -169.67 159.74 8.4 Favored 'General case' 0 CA--C 1.509 -0.616 0 CA-C-O 120.855 0.36 . . . . 0.0 110.977 -174.891 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 41' ' ' TYR . . . . . . . . . . . . . 17.6 m-85 -104.5 138.37 40.97 Favored 'General case' 0 C--N 1.31 -1.126 0 N-CA-C 107.676 -1.231 . . . . 0.0 107.676 178.122 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 29.7 t -130.32 119.26 45.94 Favored 'Isoleucine or valine' 0 C--N 1.308 -1.198 0 N-CA-C 108.781 -0.822 . . . . 0.0 108.781 176.807 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 3.3 tmt_? -63.2 133.67 54.68 Favored 'General case' 0 C--N 1.311 -1.082 0 N-CA-C 108.861 -0.792 . . . . 0.0 108.861 177.384 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 44' ' ' ILE . . . . . 0.567 HG13 ' HG2' ' A' ' 64' ' ' GLN . 21.5 mm -59.61 120.4 5.37 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.101 0 O-C-N 123.529 0.518 . . . . 0.0 109.945 -179.959 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . 105.19 3.62 41.51 Favored Glycine 0 C--N 1.301 -1.383 0 N-CA-C 110.279 -1.128 . . . . 0.0 110.279 -179.413 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 46' ' ' ASN . . . . . . . . . . . . . 54.0 t30 -118.78 160.16 22.4 Favored 'General case' 0 N--CA 1.437 -1.078 0 CA-C-O 121.647 0.737 . . . . 0.0 109.798 179.126 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 18.2 p -107.53 157.18 18.24 Favored 'General case' 0 C--N 1.289 -2.058 0 CA-C-N 114.657 -1.156 . . . . 0.0 109.055 178.111 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -154.48 143.13 20.78 Favored 'General case' 0 C--N 1.3 -1.579 0 CA-C-N 116.195 -0.457 . . . . 0.0 112.145 176.712 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 27.3 m -94.23 106.4 18.38 Favored 'General case' 0 C--N 1.311 -1.07 0 N-CA-C 107.119 -1.437 . . . . 0.0 107.119 175.981 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 50' ' ' ILE . . . . . . . . . . . . . 22.9 mm -96.89 110.87 25.7 Favored 'Isoleucine or valine' 0 C--N 1.312 -1.034 0 N-CA-C 109.01 -0.737 . . . . 0.0 109.01 -176.956 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 11.2 m -94.37 123.49 37.81 Favored 'General case' 0 C--N 1.294 -1.844 0 C-N-CA 116.96 -1.896 . . . . 0.0 106.909 172.715 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -142.65 127.96 18.79 Favored 'General case' 0 C--N 1.308 -1.2 0 N-CA-C 106.941 -1.503 . . . . 0.0 106.941 179.651 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 53' ' ' ARG . . . . . . . . . . . . . 71.8 mtt180 58.4 25.57 13.05 Favored 'General case' 0 N--CA 1.473 0.7 0 C-N-CA 124.923 1.289 . . . . 0.0 110.938 -177.38 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . 83.86 5.32 88.03 Favored Glycine 0 N--CA 1.442 -0.965 0 CA-C-N 115.02 -0.991 . . . . 0.0 112.855 -179.525 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 55' ' ' HIS . . . . . . . . . . . . . 70.3 m-70 -106.66 131.98 53.18 Favored 'General case' 0 C--N 1.319 -0.746 0 N-CA-C 108.813 -0.81 . . . . 0.0 108.813 179.223 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 2.3 mp0 -94.86 127.34 40.81 Favored 'General case' 0 N--CA 1.433 -1.323 0 CA-C-O 121.075 0.464 . . . . 0.0 109.909 176.466 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 57' ' ' PHE . . . . . . . . . . . . . 83.4 m-85 -114.94 107.48 15.44 Favored 'General case' 0 N--CA 1.418 -2.066 0 N-CA-C 105.668 -1.975 . . . . 0.0 105.668 177.562 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 34.7 tt0 -87.46 110.11 20.07 Favored 'General case' 0 N--CA 1.425 -1.699 0 N-CA-C 104.543 -2.391 . . . . 0.0 104.543 178.556 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 59' ' ' VAL . . . . . 0.559 ' HA ' ' HA ' ' A' ' 70' ' ' LEU . 16.5 m -106.81 160.47 6.2 Favored 'Isoleucine or valine' 0 C--N 1.298 -1.634 0 CA-C-N 115.842 -0.617 . . . . 0.0 110.376 -175.409 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 33.9 tt0 -123.88 113.8 18.98 Favored 'General case' 0 C--N 1.297 -1.679 0 N-CA-C 104.111 -2.551 . . . . 0.0 104.111 174.236 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -76.5 90.85 3.3 Favored 'General case' 0 C--N 1.312 -1.038 0 N-CA-C 108.963 -0.755 . . . . 0.0 108.963 -179.925 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 75.2 mmtt -64.82 -58.75 5.38 Favored 'General case' 0 C--N 1.32 -0.701 0 CA-C-N 113.791 -1.549 . . . . 0.0 113.04 -175.611 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 23.1 t70 -148.98 165.73 30.74 Favored 'General case' 0 C--N 1.306 -1.283 0 CA-C-N 114.943 -1.026 . . . . 0.0 109.375 -172.695 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 64' ' ' GLN . . . . . 0.567 ' HG2' HG13 ' A' ' 44' ' ' ILE . 37.9 mt-30 -73.22 0.82 10.72 Favored 'General case' 0 C--N 1.33 -0.256 0 C-N-CA 124.471 1.108 . . . . 0.0 112.38 -174.39 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 65' ' ' ASN . . . . . . . . . . . . . 62.9 t30 -69.82 -26.2 64.12 Favored 'General case' 0 C--N 1.326 -0.448 0 N-CA-C 107.689 -1.226 . . . . 0.0 107.689 172.145 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 66' ' ' CYS . . . . . . . . . . . . . 78.4 m 59.02 45.46 14.78 Favored 'General case' 0 C--N 1.329 -0.301 0 N-CA-C 116.001 1.852 . . . . 0.0 116.001 174.13 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 67' ' ' LYS . . . . . 0.539 ' HA ' ' HE3' ' A' ' 67' ' ' LYS . 0.1 OUTLIER -76.29 136.4 39.62 Favored 'General case' 0 N--CA 1.417 -2.088 0 N-CA-C 106.101 -1.815 . . . . 0.0 106.101 169.223 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 68' ' ' VAL . . . . . 0.424 HG21 HD23 ' A' ' 80' ' ' LEU . 7.5 p -75.82 103.7 3.55 Favored 'Isoleucine or valine' 0 C--N 1.305 -1.365 0 CA-C-O 122.438 1.114 . . . . 0.0 110.373 177.594 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 69' ' ' ILE . . . . . . . . . . . . . 93.8 mt -120.99 123.22 69.65 Favored 'Isoleucine or valine' 0 C--N 1.302 -1.494 0 N-CA-C 106.162 -1.792 . . . . 0.0 106.162 179.671 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 70' ' ' LEU . . . . . 0.559 ' HA ' ' HA ' ' A' ' 59' ' ' VAL . 1.4 mm? -81.75 160.53 23.58 Favored 'General case' 0 N--CA 1.412 -2.349 0 N-CA-C 108.11 -1.07 . . . . 0.0 108.11 -178.938 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 71' ' ' THR . . . . . . . . . . . . . 37.3 p -54.48 -30.93 54.77 Favored 'General case' 0 C--N 1.288 -2.087 0 N-CA-C 114.395 1.257 . . . . 0.0 114.395 -179.682 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 72' ' ' ASN . . . . . 0.416 ' OD1' ' HB2' ' A' ' 70' ' ' LEU . 14.2 p30 -73.67 -15.76 61.23 Favored 'General case' 0 C--N 1.309 -1.156 0 CA-C-N 115.462 -0.79 . . . . 0.0 110.621 178.91 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 73' ' ' GLY . . . . . . . . . . . . . . . 105.75 2.46 39.99 Favored Glycine 0 CA--C 1.508 -0.395 0 CA-C-N 115.53 -0.759 . . . . 0.0 112.257 174.134 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 69.4 mmtt -87.99 166.62 14.35 Favored 'General case' 0 C--N 1.304 -1.403 0 CA-C-N 114.946 -0.627 . . . . 0.0 110.429 -177.526 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 75' ' ' GLN . . . . . . . . . . . . . 50.2 tt0 -103.07 141.76 35.28 Favored 'General case' 0 C--N 1.294 -1.821 0 N-CA-C 106.232 -1.766 . . . . 0.0 106.232 174.495 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 76' ' ' ALA . . . . . 0.451 ' CB ' HD23 ' A' ' 80' ' ' LEU . . . -82.72 175.63 4.6 Favored Pre-proline 0 C--N 1.303 -1.454 0 CA-C-O 118.981 -0.533 . . . . 0.0 110.677 -177.628 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 77' ' ' PRO . . . . . . . . . . . . . 51.4 Cg_exo -58.64 150.25 71.07 Favored 'Trans proline' 0 C--N 1.364 1.371 0 C-N-CA 122.551 2.168 . . . . 0.0 111.834 177.175 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 78' ' ' ASP . . . . . . . . . . . . . 23.9 t70 -49.84 -32.02 13.28 Favored 'General case' 0 C--N 1.322 -0.62 0 C-N-CA 125.276 1.43 . . . . 0.0 113.441 -178.251 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 79' ' ' TRP . . . . . . . . . . . . . 66.5 p-90 -74.08 -19.39 60.62 Favored 'General case' 0 C--N 1.329 -0.325 0 N-CA-C 112.687 0.625 . . . . 0.0 112.687 -179.183 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 80' ' ' LEU . . . . . 0.451 HD23 ' CB ' ' A' ' 76' ' ' ALA . 38.7 tp -85.26 107.89 17.51 Favored 'General case' 0 N--CA 1.434 -1.265 0 N-CA-C 107.497 -1.298 . . . . 0.0 107.497 179.855 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 81' ' ' ALA . . . . . 0.438 ' O ' ' HA ' ' A' ' 27' ' ' TYR . . . -108.7 164.31 12.48 Favored 'General case' 0 C--N 1.308 -1.196 0 CA-C-N 115.858 -0.61 . . . . 0.0 111.023 -176.294 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 82' ' ' ALA . . . . . 0.601 ' HA ' ' O ' ' A' ' 26' ' ' VAL . . . -150.6 138.29 19.82 Favored 'General case' 0 C--N 1.302 -1.494 0 CA-C-N 114.43 -1.259 . . . . 0.0 109.253 175.961 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 83' ' ' GLU . . . . . 0.443 ' HG2' ' CE2' ' A' ' 28' ' ' TYR . 11.9 pt-20 -139.47 145.77 45.34 Favored Pre-proline 0 C--N 1.315 -0.896 0 N-CA-C 106.603 -1.628 . . . . 0.0 106.603 175.181 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 84' ' ' PRO . . . . . 0.709 ' HA ' ' O ' ' A' ' 24' ' ' SER . 98.4 Cg_endo -70.69 122.33 8.77 Favored 'Trans proline' 0 N--CA 1.453 -0.883 0 C-N-CA 121.77 1.646 . . . . 0.0 110.711 176.383 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 85' ' ' TYR . . . . . 0.676 ' CD2' ' HB2' ' A' ' 24' ' ' SER . 0.5 OUTLIER . . . . . 0 C--O 1.243 0.715 0 C-N-CA 125.722 1.609 . . . . 0.0 114.98 -170.425 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 18.2 m . . . . . 0 C--O 1.235 0.342 0 N-CA-C 107.837 -1.172 . . . . 0.0 107.837 . . . . . . . . . 0 0 . 1 . 018 nuclear build full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . -118.51 114.98 2.99 Favored Glycine 0 N--CA 1.432 -1.619 0 C-N-CA 119.268 -1.444 . . . . 0.0 114.765 -174.048 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 78.8 mtm180 -148.67 143.04 26.24 Favored 'General case' 0 C--N 1.314 -0.947 0 N-CA-C 106.033 -1.84 . . . . 0.0 106.033 171.774 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 42.7 mt-10 -83.89 97.73 9.37 Favored 'General case' 0 C--N 1.31 -1.127 0 CA-C-O 122.488 1.137 . . . . 0.0 112.58 -175.603 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 11' ' ' ASN . . . . . . . . . . . . . 42.1 m-80 -112.81 155.68 24.21 Favored 'General case' 0 C--N 1.301 -1.505 0 N-CA-C 105.076 -2.194 . . . . 0.0 105.076 177.603 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 37.5 mt -57.98 141.07 50.84 Favored 'General case' 0 CA--C 1.492 -1.253 0 CA-C-O 121.652 0.739 . . . . 0.0 110.838 177.299 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 13' ' ' TYR . . . . . . . . . . . . . 24.5 t80 -72.41 151.36 42.67 Favored 'General case' 0 C--N 1.297 -1.715 0 CA-C-N 114.097 -1.41 . . . . 0.0 107.434 -177.089 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 14' ' ' PHE . . . . . . . . . . . . . 70.7 m-85 -66.62 124.86 24.02 Favored 'General case' 0 C--N 1.295 -1.769 0 CA-C-N 115.604 -0.725 . . . . 0.0 109.601 -176.192 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 74.0 mt-30 -48.38 112.34 0.58 Allowed 'General case' 0 C--N 1.32 -0.691 0 CA-C-N 113.593 -1.64 . . . . 0.0 115.162 -171.067 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . -108.64 -178.12 21.74 Favored Glycine 0 N--CA 1.436 -1.303 0 N-CA-C 107.036 -2.426 . . . . 0.0 107.036 175.3 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 17' ' ' HIS . . . . . . . . . . . . . 68.6 m80 -67.39 118.31 10.56 Favored 'General case' 0 C--N 1.311 -1.07 0 CA-C-N 118.148 0.974 . . . . 0.0 110.022 178.08 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 18' ' ' MET . . . . . . . . . . . . . 23.3 mmt -75.39 166.56 23.41 Favored 'General case' 0 C--N 1.316 -0.886 0 CA-C-N 114.844 -1.071 . . . . 0.0 112.526 -176.344 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -70.99 104.8 3.09 Favored 'General case' 0 C--N 1.317 -0.806 0 CA-C-N 114.54 -1.209 . . . . 0.0 109.004 179.185 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -99.67 153.42 37.78 Favored Pre-proline 0 C--N 1.309 -1.182 0 CA-C-N 115.489 -0.778 . . . . 0.0 111.472 -175.123 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 21' ' ' PRO . . . . . 0.433 ' HA ' ' NE2' ' A' ' 64' ' ' GLN . 32.3 Cg_endo -65.31 110.26 1.53 Allowed 'Trans proline' 0 C--O 1.238 0.478 0 C-N-CA 122.496 2.131 . . . . 0.0 108.892 174.031 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -143.03 6.84 1.58 Allowed 'General case' 0 CA--C 1.502 -0.889 0 N-CA-C 112.999 0.741 . . . . 0.0 112.999 -175.65 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 23' ' ' ARG . . . . . 0.633 ' C ' HG12 ' A' ' 44' ' ' ILE . 56.0 mtt180 44.03 41.87 4.37 Favored 'General case' 0 C--N 1.301 -1.512 0 CA-C-N 113.9 -1.5 . . . . 0.0 112.683 -177.574 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 24' ' ' SER . . . . . 0.556 ' O ' ' HA ' ' A' ' 84' ' ' PRO . 14.6 m -153.03 131.85 12.43 Favored 'General case' 0 N--CA 1.443 -0.788 0 N-CA-C 108.151 -1.055 . . . . 0.0 108.151 178.628 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 25' ' ' CYS . . . . . . . . . . . . . 32.8 m -107.67 130.75 54.89 Favored 'General case' 0 CA--C 1.488 -1.422 0 N-CA-C 104.611 -2.366 . . . . 0.0 104.611 173.152 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 26' ' ' VAL . . . . . 0.518 ' O ' ' HA ' ' A' ' 82' ' ' ALA . 3.1 t -107.29 119.61 57.2 Favored 'Isoleucine or valine' 0 C--N 1.284 -2.272 0 N-CA-C 106.242 -1.762 . . . . 0.0 106.242 -175.28 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 27' ' ' TYR . . . . . . . . . . . . . 16.0 m-85 -89.7 131.07 35.86 Favored 'General case' 0 C--N 1.291 -1.963 0 CA-C-N 114.961 -1.018 . . . . 0.0 109.472 -174.358 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 28' ' ' TYR . . . . . 0.657 ' HB3' ' HB3' ' A' ' 36' ' ' ARG . 86.3 m-85 -127.84 168.75 14.74 Favored 'General case' 0 N--CA 1.41 -2.435 0 CA-C-N 113.961 -1.472 . . . . 0.0 110.227 -177.359 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 29' ' ' ASP . . . . . 0.478 ' O ' ' HA ' ' A' ' 36' ' ' ARG . 5.6 t0 -118.26 101.13 7.96 Favored 'General case' 0 C--N 1.298 -1.632 0 N-CA-C 104.855 -2.276 . . . . 0.0 104.855 -179.922 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . -173.47 143.63 7.26 Favored Glycine 0 CA--C 1.489 -1.545 0 C-N-CA 120.578 -0.82 . . . . 0.0 111.873 179.408 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 31' ' ' HIS . . . . . . . . . . . . . 87.6 m-70 -83.79 -40.55 18.61 Favored 'General case' 0 C--N 1.298 -1.631 0 N-CA-C 107.568 -1.271 . . . . 0.0 107.568 176.769 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 9.2 mp -99.53 155.29 36.66 Favored Pre-proline 0 C--N 1.313 -0.992 0 N-CA-C 107.322 -1.362 . . . . 0.0 107.322 179.712 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 33' ' ' PRO . . . . . 0.467 ' HA ' ' NE ' ' A' ' 36' ' ' ARG . 12.0 Cg_endo -59.32 -26.9 83.48 Favored 'Trans proline' 0 C--N 1.347 0.458 0 C-N-CA 122.146 1.897 . . . . 0.0 109.456 173.136 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -71.75 -40.75 69.12 Favored 'General case' 0 N--CA 1.44 -0.968 0 CA-C-N 114.462 -1.245 . . . . 0.0 112.437 179.845 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 32.5 p -90.75 6.25 44.91 Favored 'General case' 0 C--N 1.325 -0.493 0 N-CA-C 115.068 1.506 . . . . 0.0 115.068 -170.059 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 36' ' ' ARG . . . . . 0.657 ' HB3' ' HB3' ' A' ' 28' ' ' TYR . 99.2 mtt180 -65.13 128.11 34.44 Favored 'General case' 0 C--N 1.323 -0.566 0 N-CA-C 113.992 1.108 . . . . 0.0 113.992 -179.883 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 37' ' ' VAL . . . . . 0.468 ' HB ' ' HB3' ' A' ' 29' ' ' ASP . 53.3 t -104.78 133.76 48.06 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.696 0 C-N-CA 125.264 1.425 . . . . 0.0 107.218 176.724 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 2.7 tm? -67.01 111.73 3.98 Favored 'General case' 0 C--N 1.321 -0.67 0 C-N-CA 123.355 0.662 . . . . 0.0 110.943 -176.579 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 87.5 mt -92.16 -61.33 1.64 Allowed 'General case' 0 C--N 1.321 -0.668 0 N-CA-C 112.034 0.383 . . . . 0.0 112.034 176.697 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 40' ' ' MET . . . . . . . . . . . . . 45.3 ttm -163.53 151.45 13.16 Favored 'General case' 0 N--CA 1.444 -0.746 0 CA-C-N 116.431 -0.35 . . . . 0.0 110.721 -175.708 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 41' ' ' TYR . . . . . . . . . . . . . 85.8 m-85 -95.93 122.93 39.27 Favored 'General case' 0 C--N 1.319 -0.75 0 N-CA-C 107.339 -1.356 . . . . 0.0 107.339 174.313 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 27.6 t -118.27 115.28 47.76 Favored 'Isoleucine or valine' 0 C--N 1.313 -1.017 0 N-CA-C 109.551 -0.537 . . . . 0.0 109.551 179.588 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 43' ' ' ARG . . . . . 0.421 ' O ' ' HB3' ' A' ' 46' ' ' ASN . 19.2 mmt180 -59.23 141.75 53.52 Favored 'General case' 0 C--N 1.315 -0.907 0 CA-C-O 121.479 0.657 . . . . 0.0 111.539 176.316 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 44' ' ' ILE . . . . . 0.633 HG12 ' C ' ' A' ' 23' ' ' ARG . 47.5 mm -67.45 125.23 24.53 Favored 'Isoleucine or valine' 0 C--N 1.3 -1.554 0 CA-C-N 114.603 -1.18 . . . . 0.0 108.18 177.297 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . 104.59 -14.76 50.08 Favored Glycine 0 C--N 1.297 -1.634 0 N-CA-C 109.882 -1.287 . . . . 0.0 109.882 -178.416 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 46' ' ' ASN . . . . . 0.421 ' HB3' ' O ' ' A' ' 43' ' ' ARG . 32.7 t30 -103.47 159.41 15.61 Favored 'General case' 0 C--N 1.301 -1.505 0 CA-C-O 121.813 0.816 . . . . 0.0 110.516 -176.696 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 22.1 p -115.05 151.19 34.67 Favored 'General case' 0 C--N 1.289 -2.036 0 CA-C-N 114.471 -1.24 . . . . 0.0 109.242 179.344 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 48' ' ' ALA . . . . . 0.428 ' O ' ' HA ' ' A' ' 58' ' ' GLU . . . -152.12 146.28 25.39 Favored 'General case' 0 C--N 1.298 -1.674 0 C-N-CA 120.583 -0.447 . . . . 0.0 111.39 -177.905 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 49' ' ' THR . . . . . 0.455 ' HA ' ' HA ' ' A' ' 58' ' ' GLU . 19.5 m -103.6 112.56 25.55 Favored 'General case' 0 C--N 1.313 -1.003 0 N-CA-C 108.024 -1.102 . . . . 0.0 108.024 177.069 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 50' ' ' ILE . . . . . . . . . . . . . 11.4 mm -97.14 110.79 25.72 Favored 'Isoleucine or valine' 0 C--N 1.307 -1.279 0 N-CA-C 108.999 -0.741 . . . . 0.0 108.999 -176.276 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 51' ' ' THR . . . . . 0.49 ' HA ' ' O ' ' A' ' 55' ' ' HIS . 11.5 m -87.2 123.07 31.82 Favored 'General case' 0 C--N 1.299 -1.602 0 C-N-CA 116.765 -1.974 . . . . 0.0 105.828 170.684 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -150.58 127.1 10.8 Favored 'General case' 0 N--CA 1.437 -1.111 0 N-CA-C 108.038 -1.097 . . . . 0.0 108.038 -179.294 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 53' ' ' ARG . . . . . . . . . . . . . 77.3 mtt180 62.72 23.05 13.74 Favored 'General case' 0 N--CA 1.468 0.475 0 C-N-CA 124.989 1.316 . . . . 0.0 111.365 179.08 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . 93.59 -7.71 74.51 Favored Glycine 0 C--N 1.316 -0.565 0 CA-C-N 114.921 -1.036 . . . . 0.0 112.919 -179.984 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 55' ' ' HIS . . . . . 0.49 ' O ' ' HA ' ' A' ' 51' ' ' THR . 78.1 m-70 -101.76 148.61 25.07 Favored 'General case' 0 C--N 1.315 -0.924 0 N-CA-C 109.338 -0.616 . . . . 0.0 109.338 -177.862 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 9.9 mt-10 -109.87 116.87 32.43 Favored 'General case' 0 C--N 1.303 -1.451 0 CA-C-O 121.314 0.578 . . . . 0.0 109.807 174.695 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 57' ' ' PHE . . . . . . . . . . . . . 89.5 m-85 -107.87 108.22 19.29 Favored 'General case' 0 C--N 1.302 -1.461 0 N-CA-C 108.323 -0.991 . . . . 0.0 108.323 -178.568 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 58' ' ' GLU . . . . . 0.455 ' HA ' ' HA ' ' A' ' 49' ' ' THR . 38.1 tt0 -88.45 112.83 23.4 Favored 'General case' 0 N--CA 1.428 -1.568 0 N-CA-C 105.219 -2.141 . . . . 0.0 105.219 176.317 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 59' ' ' VAL . . . . . 0.572 ' HA ' ' HA ' ' A' ' 70' ' ' LEU . 8.8 m -101.72 163.03 3.39 Favored 'Isoleucine or valine' 0 C--N 1.295 -1.785 0 CA-C-N 116.039 -0.528 . . . . 0.0 109.879 -176.27 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 60' ' ' GLU . . . . . 0.422 ' HG2' ' HG2' ' A' ' 62' ' ' LYS . 43.8 tt0 -122.81 103.69 8.8 Favored 'General case' 0 N--CA 1.421 -1.905 0 N-CA-C 105.169 -2.16 . . . . 0.0 105.169 176.433 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -77.65 88.96 3.93 Favored 'General case' 0 C--N 1.317 -0.838 0 N-CA-C 108.28 -1.007 . . . . 0.0 108.28 179.072 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 62' ' ' LYS . . . . . 0.422 ' HG2' ' HG2' ' A' ' 60' ' ' GLU . 33.9 mtpt -76.6 -52.28 10.01 Favored 'General case' 0 C--N 1.309 -1.156 0 CA-C-N 114.037 -1.438 . . . . 0.0 111.827 -175.485 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 17.9 t70 -142.43 153.29 43.59 Favored 'General case' 0 C--N 1.302 -1.493 0 CA-C-N 114.646 -1.161 . . . . 0.0 108.335 -171.729 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 64' ' ' GLN . . . . . 0.433 ' NE2' ' HA ' ' A' ' 21' ' ' PRO 0.305 9.7 pt20 -89.45 29.4 1.12 Allowed 'General case' 0 C--O 1.241 0.644 0 N-CA-C 115.089 1.514 . . . . 0.0 115.089 -175.269 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 65' ' ' ASN . . . . . . . . . . . . . 25.3 m-80 -81.09 -14.21 57.99 Favored 'General case' 0 C--N 1.316 -0.88 0 N-CA-C 106.299 -1.741 . . . . 0.0 106.299 164.963 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 66' ' ' CYS . . . . . 0.43 ' O ' ' HB3' ' A' ' 82' ' ' ALA . 85.5 m 66.74 34.58 5.58 Favored 'General case' 0 CA--C 1.503 -0.836 0 CA-C-N 113.045 -1.889 . . . . 0.0 114.746 169.783 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 67' ' ' LYS . . . . . 0.605 ' HA ' ' HE3' ' A' ' 67' ' ' LYS . 0.1 OUTLIER -67.52 130.27 42.52 Favored 'General case' 0 N--CA 1.411 -2.388 0 N-CA-C 106.007 -1.849 . . . . 0.0 106.007 170.716 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 68' ' ' VAL . . . . . . . . . . . . . 4.9 p -82.96 99.76 6.01 Favored 'Isoleucine or valine' 0 C--N 1.298 -1.662 0 CA-C-O 122.757 1.265 . . . . 0.0 110.465 -179.308 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 69' ' ' ILE . . . . . . . . . . . . . 71.1 mt -116.66 122.22 69.41 Favored 'Isoleucine or valine' 0 C--N 1.302 -1.46 0 N-CA-C 104.622 -2.362 . . . . 0.0 104.622 -178.282 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 70' ' ' LEU . . . . . 0.572 ' HA ' ' HA ' ' A' ' 59' ' ' VAL . 1.6 mm? -83.53 166.22 18.44 Favored 'General case' 0 N--CA 1.412 -2.373 0 C-N-CA 119.018 -1.073 . . . . 0.0 109.688 -177.952 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 71' ' ' THR . . . . . . . . . . . . . 41.7 p -63.0 -21.5 66.19 Favored 'General case' 0 C--N 1.293 -1.875 0 CA-C-N 115.117 -0.947 . . . . 0.0 111.809 175.387 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 72' ' ' ASN . . . . . . . . . . . . . 3.1 p-10 -78.15 0.03 26.47 Favored 'General case' 0 C--N 1.323 -0.576 0 CA-C-O 121.185 0.517 . . . . 0.0 111.133 174.365 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 73' ' ' GLY . . . . . . . . . . . . . . . 93.94 -26.49 16.47 Favored Glycine 0 CA--C 1.488 -1.652 0 CA-C-N 116.336 -0.393 . . . . 0.0 112.366 170.439 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 48.5 mtmt -81.79 167.44 19.06 Favored 'General case' 0 N--CA 1.419 -1.987 0 N-CA-C 113.865 1.061 . . . . 0.0 113.865 -176.33 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 75' ' ' GLN . . . . . . . . . . . . . 50.2 tt0 -77.8 150.91 34.21 Favored 'General case' 0 C--N 1.307 -1.275 0 CA-C-N 112.889 -1.96 . . . . 0.0 107.765 175.916 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 76' ' ' ALA . . . . . 0.495 ' CB ' HD23 ' A' ' 80' ' ' LEU . . . -96.42 164.79 17.53 Favored Pre-proline 0 C--N 1.293 -1.867 0 CA-C-N 115.689 -0.687 . . . . 0.0 110.412 178.285 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 77' ' ' PRO . . . . . 0.486 ' HD2' ' HB1' ' A' ' 76' ' ' ALA . 7.2 Cg_endo -49.64 156.62 2.89 Favored 'Trans proline' 0 C--N 1.363 1.342 0 C-N-CA 124.05 3.167 . . . . 0.0 115.516 -179.811 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 78' ' ' ASP . . . . . . . . . . . . . 24.9 t70 -51.84 -34.54 41.03 Favored 'General case' 0 N--CA 1.47 0.566 0 C-N-CA 126.166 1.786 . . . . 0.0 112.739 -178.837 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 79' ' ' TRP . . . . . 0.447 ' CD1' ' HB2' ' A' ' 77' ' ' PRO . 68.2 p-90 -81.36 -16.01 53.57 Favored 'General case' 0 C--N 1.317 -0.81 0 N-CA-C 112.619 0.6 . . . . 0.0 112.619 -177.992 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 80' ' ' LEU . . . . . 0.495 HD23 ' CB ' ' A' ' 76' ' ' ALA . 19.7 tp -86.38 119.19 26.39 Favored 'General case' 0 N--CA 1.43 -1.433 0 N-CA-C 107.555 -1.276 . . . . 0.0 107.555 -176.642 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -125.08 167.52 14.66 Favored 'General case' 0 CA--C 1.491 -1.321 0 CA-C-O 121.363 0.601 . . . . 0.0 110.429 -176.688 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 82' ' ' ALA . . . . . 0.518 ' HA ' ' O ' ' A' ' 26' ' ' VAL . . . -153.67 140.37 18.97 Favored 'General case' 0 C--N 1.296 -1.73 0 CA-C-N 114.517 -1.22 . . . . 0.0 108.752 175.613 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 9.9 pt-20 -143.94 143.35 22.62 Favored Pre-proline 0 C--N 1.304 -1.387 0 N-CA-C 105.446 -2.057 . . . . 0.0 105.446 175.572 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 84' ' ' PRO . . . . . 0.556 ' HA ' ' O ' ' A' ' 24' ' ' SER . 45.1 Cg_endo -72.08 140.38 34.38 Favored 'Trans proline' 0 N--CA 1.447 -1.254 0 C-N-CA 121.461 1.441 . . . . 0.0 111.575 -179.168 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 85' ' ' TYR . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.321 -0.66 0 CA-C-N 114.488 -1.233 . . . . 0.0 113.995 -171.199 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 18.1 m . . . . . 0 C--O 1.237 0.433 0 N-CA-C 108.882 -0.785 . . . . 0.0 108.882 . . . . . . . . . 0 0 . 1 . 019 nuclear build full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . -150.49 -179.54 26.35 Favored Glycine 0 N--CA 1.424 -2.104 0 C-N-CA 120.199 -1.0 . . . . 0.0 112.651 -179.21 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 58.1 mtt180 -142.05 127.59 19.0 Favored 'General case' 0 C--N 1.307 -1.248 0 N-CA-C 106.785 -1.561 . . . . 0.0 106.785 174.918 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 1.1 mp0 -78.15 115.26 17.75 Favored 'General case' 0 C--N 1.303 -1.427 0 N-CA-C 107.255 -1.387 . . . . 0.0 107.255 178.505 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 11' ' ' ASN . . . . . . . . . . . . . 7.1 t30 -81.69 95.13 7.13 Favored 'General case' 0 C--N 1.309 -1.165 0 N-CA-C 104.537 -2.394 . . . . 0.0 104.537 175.801 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 96.2 mt -61.93 164.73 6.16 Favored 'General case' 0 CA--C 1.498 -1.037 0 CA-C-O 122.674 1.226 . . . . 0.0 113.645 -174.926 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 13' ' ' TYR . . . . . . . . . . . . . 19.2 p90 -81.95 113.65 20.0 Favored 'General case' 0 C--N 1.294 -1.845 0 CA-C-N 113.415 -1.72 . . . . 0.0 108.134 178.284 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 14' ' ' PHE . . . . . . . . . . . . . 96.4 m-85 -97.59 109.63 22.34 Favored 'General case' 0 N--CA 1.424 -1.744 0 N-CA-C 106.724 -1.584 . . . . 0.0 106.724 178.561 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 62.1 tt0 -68.57 150.0 48.54 Favored 'General case' 0 N--CA 1.424 -1.731 0 CA-C-N 114.459 -1.246 . . . . 0.0 108.99 -178.025 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . -82.5 88.33 1.46 Allowed Glycine 0 N--CA 1.424 -2.133 0 N-CA-C 107.619 -2.193 . . . . 0.0 107.619 175.213 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 17' ' ' HIS . . . . . . . . . . . . . 55.1 t-80 -88.47 157.69 18.58 Favored 'General case' 0 C--N 1.303 -1.415 0 N-CA-C 106.237 -1.764 . . . . 0.0 106.237 -179.677 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 18' ' ' MET . . . . . . . . . . . . . 26.2 ptm -52.36 133.6 34.66 Favored 'General case' 0 C--O 1.243 0.743 0 O-C-N 123.75 0.656 . . . . 0.0 109.937 177.882 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -63.64 106.99 1.06 Allowed 'General case' 0 C--N 1.32 -0.712 0 O-C-N 123.808 0.692 . . . . 0.0 110.601 -179.595 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -110.34 155.24 42.29 Favored Pre-proline 0 C--N 1.305 -1.343 0 N-CA-C 107.967 -1.123 . . . . 0.0 107.967 179.866 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 21' ' ' PRO . . . . . . . . . . . . . 83.6 Cg_exo -52.86 107.32 0.19 Allowed 'Trans proline' 0 C--N 1.351 0.705 0 C-N-CA 122.969 2.446 . . . . 0.0 110.61 176.241 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -124.93 24.63 7.55 Favored 'General case' 0 C--N 1.32 -0.701 0 N-CA-C 114.871 1.434 . . . . 0.0 114.871 -172.615 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 23' ' ' ARG . . . . . 0.656 ' C ' HG12 ' A' ' 44' ' ' ILE . 35.5 ttm180 58.96 19.41 7.13 Favored 'General case' 0 CA--C 1.561 1.393 0 N-CA-C 114.529 1.307 . . . . 0.0 114.529 174.391 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 24' ' ' SER . . . . . 0.594 ' O ' ' HA ' ' A' ' 84' ' ' PRO . 57.9 m -155.76 141.03 17.57 Favored 'General case' 0 C--N 1.318 -0.789 0 O-C-N 120.771 -1.206 . . . . 0.0 110.061 175.818 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 25' ' ' CYS . . . . . . . . . . . . . 94.4 m -108.06 131.52 54.51 Favored 'General case' 0 CA--C 1.498 -1.022 0 N-CA-C 106.398 -1.704 . . . . 0.0 106.398 177.414 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 26' ' ' VAL . . . . . 0.561 ' O ' ' HA ' ' A' ' 82' ' ' ALA . 2.8 t -110.65 125.02 67.93 Favored 'Isoleucine or valine' 0 C--N 1.289 -2.025 0 N-CA-C 106.994 -1.484 . . . . 0.0 106.994 -175.605 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 27' ' ' TYR . . . . . 0.444 ' HA ' ' O ' ' A' ' 81' ' ' ALA . 43.0 m-85 -97.46 133.55 41.89 Favored 'General case' 0 C--N 1.3 -1.551 0 O-C-N 124.29 0.994 . . . . 0.0 110.582 -174.65 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 28' ' ' TYR . . . . . 0.458 ' HA ' ' O ' ' A' ' 37' ' ' VAL . 90.3 m-85 -127.78 144.24 51.09 Favored 'General case' 0 N--CA 1.427 -1.611 0 CA-C-N 114.641 -1.163 . . . . 0.0 110.014 -176.741 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 5.2 t70 -98.47 101.64 13.14 Favored 'General case' 0 C--N 1.3 -1.547 0 N-CA-C 106.033 -1.84 . . . . 0.0 106.033 172.771 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . -172.53 141.64 6.36 Favored Glycine 0 N--CA 1.435 -1.396 0 C-N-CA 120.882 -0.675 . . . . 0.0 112.792 177.47 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 31' ' ' HIS . . . . . 0.462 ' CE1' ' HB3' ' A' ' 79' ' ' TRP . 94.9 m-70 -85.94 -20.36 29.09 Favored 'General case' 0 C--N 1.302 -1.496 0 N-CA-C 107.945 -1.131 . . . . 0.0 107.945 174.931 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 44.9 mt -123.86 160.42 51.68 Favored Pre-proline 0 N--CA 1.438 -1.066 0 N-CA-C 107.272 -1.381 . . . . 0.0 107.272 -178.0 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 33' ' ' PRO . . . . . . . . . . . . . 56.9 Cg_endo -73.4 -4.35 15.27 Favored 'Trans proline' 0 CA--C 1.538 0.69 0 C-N-CA 121.965 1.777 . . . . 0.0 110.503 172.391 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -91.78 -52.1 4.91 Favored 'General case' 0 N--CA 1.45 -0.464 0 CA-C-O 121.399 0.619 . . . . 0.0 110.299 -179.269 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 19.4 p -90.05 23.32 2.86 Favored 'General case' 0 C--N 1.317 -0.825 0 CA-C-N 115.815 -0.63 . . . . 0.0 111.585 -175.064 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 36' ' ' ARG . . . . . 0.431 ' HB2' ' HB3' ' A' ' 28' ' ' TYR . 26.9 ptt180 -79.71 142.88 35.06 Favored 'General case' 0 N--CA 1.438 -1.07 0 CA-C-N 115.618 -0.719 . . . . 0.0 109.196 -179.307 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 37' ' ' VAL . . . . . 0.458 ' O ' ' HA ' ' A' ' 28' ' ' TYR . 75.7 t -122.6 119.8 59.13 Favored 'Isoleucine or valine' 0 C--N 1.305 -1.338 0 N-CA-C 106.377 -1.712 . . . . 0.0 106.377 -178.707 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 8.6 tt -69.19 118.51 12.18 Favored 'General case' 0 C--N 1.321 -0.664 0 CA-C-O 121.705 0.765 . . . . 0.0 109.308 178.934 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 82.0 mt -91.14 -57.88 2.65 Favored 'General case' 0 C--N 1.301 -1.52 0 CA-C-N 114.307 -1.315 . . . . 0.0 110.915 -179.905 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 40' ' ' MET . . . . . . . . . . . . . 44.1 ttm -162.32 156.61 21.65 Favored 'General case' 0 N--CA 1.436 -1.147 0 CA-C-N 115.747 -0.66 . . . . 0.0 111.552 -166.678 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 41' ' ' TYR . . . . . . . . . . . . . 58.6 m-85 -107.02 120.09 41.15 Favored 'General case' 0 C--N 1.321 -0.639 0 N-CA-C 107.434 -1.321 . . . . 0.0 107.434 174.185 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 21.7 t -114.94 113.65 44.23 Favored 'Isoleucine or valine' 0 C--N 1.3 -1.577 0 N-CA-C 107.527 -1.286 . . . . 0.0 107.527 177.04 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 16.9 ttt180 -60.08 141.98 54.85 Favored 'General case' 0 C--N 1.311 -1.103 0 C-N-CA 123.313 0.645 . . . . 0.0 109.365 179.757 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 44' ' ' ILE . . . . . 0.656 HG12 ' C ' ' A' ' 23' ' ' ARG . 40.1 mm -62.33 122.6 13.42 Favored 'Isoleucine or valine' 0 C--N 1.312 -1.036 0 N-CA-C 106.948 -1.501 . . . . 0.0 106.948 175.467 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . 95.04 34.59 6.11 Favored Glycine 0 C--N 1.284 -2.33 0 N-CA-C 109.002 -1.639 . . . . 0.0 109.002 -178.152 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 46' ' ' ASN . . . . . . . . . . . . . 53.2 t30 -149.49 160.78 43.18 Favored 'General case' 0 C--N 1.313 -1.015 0 N-CA-C 108.793 -0.817 . . . . 0.0 108.793 173.61 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 47' ' ' THR . . . . . 0.471 HG22 ' HA ' ' A' ' 60' ' ' GLU . 7.7 p -121.07 153.28 37.63 Favored 'General case' 0 C--N 1.288 -2.099 0 CA-C-N 114.775 -1.102 . . . . 0.0 108.623 177.943 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 48' ' ' ALA . . . . . 0.416 ' O ' ' HA ' ' A' ' 58' ' ' GLU . . . -150.69 143.03 24.29 Favored 'General case' 0 C--N 1.297 -1.675 0 C-N-CA 120.129 -0.629 . . . . 0.0 112.391 -178.303 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 3.0 m -89.61 106.63 18.58 Favored 'General case' 0 C--N 1.318 -0.77 0 N-CA-C 107.195 -1.409 . . . . 0.0 107.195 177.803 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 50' ' ' ILE . . . . . . . . . . . . . 15.9 mm -96.49 111.73 27.2 Favored 'Isoleucine or valine' 0 C--N 1.31 -1.149 0 N-CA-C 108.557 -0.905 . . . . 0.0 108.557 -176.679 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 8.4 m -92.02 124.58 36.23 Favored 'General case' 0 C--N 1.293 -1.886 0 N-CA-C 106.701 -1.592 . . . . 0.0 106.701 174.226 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -149.93 124.2 9.53 Favored 'General case' 0 C--N 1.311 -1.096 0 N-CA-C 108.69 -0.856 . . . . 0.0 108.69 179.692 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 53' ' ' ARG . . . . . 0.423 ' HD2' ' CZ2' ' A' ' 79' ' ' TRP . 75.7 mtt180 62.75 27.16 15.97 Favored 'General case' 0 C--O 1.239 0.531 0 C-N-CA 124.414 1.086 . . . . 0.0 111.363 177.718 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . 88.01 5.66 76.7 Favored Glycine 0 N--CA 1.446 -0.65 0 CA-C-N 114.627 -1.17 . . . . 0.0 113.196 178.98 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 55' ' ' HIS . . . . . . . . . . . . . 21.1 m-70 -116.1 133.27 56.2 Favored 'General case' 0 C--N 1.315 -0.905 0 CA-C-N 117.2 0.5 . . . . 0.0 109.762 -179.936 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 25.3 mp0 -94.17 126.13 39.22 Favored 'General case' 0 N--CA 1.435 -1.194 0 N-CA-C 107.98 -1.119 . . . . 0.0 107.98 174.098 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 57' ' ' PHE . . . . . . . . . . . . . 72.3 m-85 -118.3 108.92 15.7 Favored 'General case' 0 N--CA 1.422 -1.868 0 N-CA-C 105.521 -2.029 . . . . 0.0 105.521 177.838 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 58' ' ' GLU . . . . . 0.416 ' HA ' ' O ' ' A' ' 48' ' ' ALA . 23.7 tt0 -87.05 112.64 22.07 Favored 'General case' 0 C--N 1.3 -1.553 0 C-N-CA 117.239 -1.784 . . . . 0.0 107.745 176.874 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 59' ' ' VAL . . . . . 0.582 HG12 ' CD1' ' A' ' 70' ' ' LEU . 6.0 m -98.06 161.72 2.88 Favored 'Isoleucine or valine' 0 C--N 1.311 -1.1 0 CA-C-N 115.196 -0.911 . . . . 0.0 109.974 -173.632 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 60' ' ' GLU . . . . . 0.562 ' HB2' ' HB ' ' A' ' 71' ' ' THR . 33.4 tt0 -119.87 110.02 16.24 Favored 'General case' 0 N--CA 1.427 -1.602 0 N-CA-C 106.79 -1.559 . . . . 0.0 106.79 174.469 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -78.76 88.13 4.63 Favored 'General case' 0 C--N 1.314 -0.959 0 N-CA-C 106.539 -1.652 . . . . 0.0 106.539 174.208 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 62' ' ' LYS . . . . . 0.402 ' HE2' ' OD2' ' A' ' 63' ' ' ASP . 19.9 ptmt -75.26 -48.37 23.63 Favored 'General case' 0 C--N 1.312 -1.025 0 CA-C-N 112.982 -1.917 . . . . 0.0 113.969 -175.5 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 63' ' ' ASP . . . . . 0.402 ' OD2' ' HE2' ' A' ' 62' ' ' LYS . 4.0 p30 -150.62 168.57 23.91 Favored 'General case' 0 CA--C 1.498 -1.036 0 N-CA-C 108.314 -0.995 . . . . 0.0 108.314 -178.173 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 64' ' ' GLN . . . . . . . . . . . . . 13.2 pt20 -90.12 18.79 5.52 Favored 'General case' 0 C--N 1.311 -1.098 0 N-CA-C 115.325 1.602 . . . . 0.0 115.325 -172.314 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 65' ' ' ASN . . . . . . . . . . . . . 28.1 t-20 -85.16 -26.82 26.59 Favored 'General case' 0 C--N 1.322 -0.618 0 N-CA-C 105.441 -2.059 . . . . 0.0 105.441 167.936 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 66' ' ' CYS . . . . . . . . . . . . . 72.3 m 68.95 54.32 0.46 Allowed 'General case' 0 C--N 1.325 -0.457 0 N-CA-C 119.374 3.102 . . . . 0.0 119.374 169.783 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 5.8 mptp? -76.87 150.87 36.01 Favored 'General case' 0 N--CA 1.437 -1.078 0 C-N-CA 118.817 -1.153 . . . . 0.0 110.392 165.26 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 68' ' ' VAL . . . . . 0.516 HG11 ' O ' ' A' ' 80' ' ' LEU . 6.9 p -88.77 99.88 9.8 Favored 'Isoleucine or valine' 0 C--N 1.293 -1.876 0 CA-C-O 122.834 1.302 . . . . 0.0 109.012 177.728 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 69' ' ' ILE . . . . . . . . . . . . . 89.9 mt -125.99 128.88 72.25 Favored 'Isoleucine or valine' 0 C--N 1.297 -1.697 0 N-CA-C 104.852 -2.277 . . . . 0.0 104.852 -179.015 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 70' ' ' LEU . . . . . 0.655 HD21 ' HB2' ' A' ' 76' ' ' ALA . 1.7 mm? -86.95 146.53 26.12 Favored 'General case' 0 N--CA 1.41 -2.427 0 C-N-CA 118.568 -1.253 . . . . 0.0 110.504 -174.72 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 71' ' ' THR . . . . . 0.562 ' HB ' ' HB2' ' A' ' 60' ' ' GLU . 3.8 t -77.81 4.12 12.59 Favored 'General case' 0 C--N 1.29 -2.018 0 CA-C-N 113.614 -1.63 . . . . 0.0 110.331 -175.498 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 72' ' ' ASN . . . . . . . . . . . . . 44.5 m-80 -96.21 -2.46 46.13 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-N 115.398 -0.819 . . . . 0.0 109.061 175.605 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 73' ' ' GLY . . . . . . . . . . . . . . . 89.1 27.41 23.47 Favored Glycine 0 CA--C 1.504 -0.65 0 N-CA-C 109.632 -1.387 . . . . 0.0 109.632 178.467 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 74' ' ' LYS . . . . . 0.464 ' HB2' ' HB2' ' A' ' 70' ' ' LEU . 69.3 mmtt -114.89 158.25 22.22 Favored 'General case' 0 N--CA 1.434 -1.232 0 CA-C-N 114.47 -0.865 . . . . 0.0 110.877 -176.024 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 75' ' ' GLN . . . . . . . . . . . . . 76.4 mt-30 -107.15 141.14 38.89 Favored 'General case' 0 C--N 1.309 -1.165 0 N-CA-C 106.152 -1.795 . . . . 0.0 106.152 173.088 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 76' ' ' ALA . . . . . 0.655 ' HB2' HD21 ' A' ' 70' ' ' LEU . . . -91.76 161.92 32.55 Favored Pre-proline 0 C--N 1.299 -1.604 0 C-N-CA 120.757 -0.377 . . . . 0.0 111.808 -174.121 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 77' ' ' PRO . . . . . . . . . . . . . 72.5 Cg_exo -56.45 152.75 38.22 Favored 'Trans proline' 0 C--N 1.352 0.755 0 C-N-CA 123.211 2.608 . . . . 0.0 110.812 173.771 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 78' ' ' ASP . . . . . . . . . . . . . 4.1 p-10 -60.2 -28.87 68.33 Favored 'General case' 0 N--CA 1.473 0.723 0 C-N-CA 122.522 0.329 . . . . 0.0 111.86 -176.24 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 79' ' ' TRP . . . . . 0.462 ' HB3' ' CE1' ' A' ' 31' ' ' HIS . 64.2 p-90 -72.69 -15.65 61.69 Favored 'General case' 0 C--O 1.219 -0.532 0 N-CA-C 112.192 0.441 . . . . 0.0 112.192 179.961 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 80' ' ' LEU . . . . . 0.516 ' O ' HG11 ' A' ' 68' ' ' VAL . 24.3 tp -89.84 103.64 16.27 Favored 'General case' 0 N--CA 1.425 -1.712 0 N-CA-C 105.408 -2.071 . . . . 0.0 105.408 179.122 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 81' ' ' ALA . . . . . 0.444 ' O ' ' HA ' ' A' ' 27' ' ' TYR . . . -106.19 162.48 13.61 Favored 'General case' 0 C--N 1.298 -1.653 0 CA-C-O 121.406 0.622 . . . . 0.0 110.765 -176.021 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 82' ' ' ALA . . . . . 0.561 ' HA ' ' O ' ' A' ' 26' ' ' VAL . . . -149.28 135.23 18.91 Favored 'General case' 0 C--N 1.299 -1.619 0 CA-C-N 114.236 -1.347 . . . . 0.0 108.164 177.246 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 9.9 pt-20 -145.97 146.59 29.1 Favored Pre-proline 0 C--N 1.312 -1.04 0 N-CA-C 107.169 -1.419 . . . . 0.0 107.169 175.578 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 84' ' ' PRO . . . . . 0.594 ' HA ' ' O ' ' A' ' 24' ' ' SER . 56.6 Cg_endo -71.47 130.02 16.65 Favored 'Trans proline' 0 N--CA 1.453 -0.875 0 C-N-CA 121.59 1.527 . . . . 0.0 110.287 179.32 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 85' ' ' TYR . . . . . 0.476 ' CD2' ' HB2' ' A' ' 24' ' ' SER 0.255 0.4 OUTLIER . . . . . 0 C--O 1.242 0.69 0 N-CA-C 115.541 1.682 . . . . 0.0 115.541 -171.08 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 9.1 m . . . . . 0 CA--C 1.515 -0.395 0 N-CA-C 108.171 -1.048 . . . . 0.0 108.171 . . . . . . . . . 0 0 . 1 . 020 nuclear build full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . -146.22 149.59 21.74 Favored Glycine 0 N--CA 1.42 -2.402 0 C-N-CA 119.389 -1.386 . . . . 0.0 111.556 -178.083 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 13.1 ptt180 -144.82 139.43 27.75 Favored 'General case' 0 C--N 1.292 -1.918 0 N-CA-C 104.841 -2.281 . . . . 0.0 104.841 175.778 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 18.6 tt0 -111.33 88.91 2.91 Favored 'General case' 0 C--N 1.286 -2.156 0 N-CA-C 102.637 -3.097 . . . . 0.0 102.637 175.429 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 11' ' ' ASN . . . . . . . . . . . . . 7.8 t30 -94.59 161.26 14.27 Favored 'General case' 0 C--N 1.307 -1.249 0 CA-C-N 112.79 -2.005 . . . . 0.0 110.792 -166.682 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 12' ' ' LEU . . . . . 0.579 HD23 ' H ' ' A' ' 12' ' ' LEU . 2.1 pt? -114.68 133.29 55.98 Favored 'General case' 0 C--N 1.301 -1.51 0 N-CA-C 105.962 -1.866 . . . . 0.0 105.962 176.847 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 13' ' ' TYR . . . . . . . . . . . . . 99.0 m-85 -57.81 116.04 3.21 Favored 'General case' 0 C--N 1.319 -0.753 0 O-C-N 123.736 0.647 . . . . 0.0 110.057 -177.684 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 14' ' ' PHE . . . . . . . . . . . . . 78.9 m-85 -76.76 142.29 40.45 Favored 'General case' 0 N--CA 1.435 -1.199 0 CA-C-N 115.334 -0.848 . . . . 0.0 110.039 -178.939 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 57.0 tt0 -122.1 161.53 22.92 Favored 'General case' 0 N--CA 1.412 -2.371 0 N-CA-C 105.893 -1.892 . . . . 0.0 105.893 -179.785 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . -76.3 -178.64 45.48 Favored Glycine 0 N--CA 1.434 -1.45 0 N-CA-C 110.476 -1.05 . . . . 0.0 110.476 179.678 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 17' ' ' HIS . . . . . . . . . . . . . 22.9 t-80 -59.87 109.81 1.02 Allowed 'General case' 0 C--N 1.314 -0.977 0 N-CA-C 109.668 -0.493 . . . . 0.0 109.668 179.588 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 18' ' ' MET . . . . . . . . . . . . . 58.7 ttp -63.56 126.79 28.67 Favored 'General case' 0 N--CA 1.442 -0.864 0 N-CA-C 108.829 -0.804 . . . . 0.0 108.829 178.832 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -137.19 -178.85 5.39 Favored 'General case' 0 C--N 1.29 -2.013 0 N-CA-C 106.647 -1.612 . . . . 0.0 106.647 -177.448 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -57.65 142.09 78.29 Favored Pre-proline 0 C--N 1.316 -0.857 0 O-C-N 124.334 1.021 . . . . 0.0 109.61 176.772 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 21' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -73.67 89.09 1.0 Allowed 'Trans proline' 0 N--CA 1.45 -1.07 0 C-N-CA 121.805 1.67 . . . . 0.0 110.773 -178.391 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -91.2 28.53 1.61 Allowed 'General case' 0 C--N 1.305 -1.358 0 N-CA-C 115.238 1.57 . . . . 0.0 115.238 -171.952 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 23' ' ' ARG . . . . . 0.628 ' C ' HG12 ' A' ' 44' ' ' ILE . 53.2 mtt180 60.63 25.16 14.9 Favored 'General case' 0 C--N 1.306 -1.304 0 N-CA-C 115.077 1.51 . . . . 0.0 115.077 175.627 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 24' ' ' SER . . . . . 0.667 ' O ' ' HA ' ' A' ' 84' ' ' PRO . 66.4 m -156.2 138.76 14.99 Favored 'General case' 0 C--N 1.315 -0.902 0 C-N-CA 123.357 0.663 . . . . 0.0 109.314 174.698 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 25' ' ' CYS . . . . . . . . . . . . . 90.2 m -107.92 131.27 54.71 Favored 'General case' 0 N--CA 1.436 -1.132 0 N-CA-C 105.812 -1.921 . . . . 0.0 105.812 178.463 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 26' ' ' VAL . . . . . 0.567 ' O ' ' HA ' ' A' ' 82' ' ' ALA . 2.9 t -112.57 124.39 69.19 Favored 'Isoleucine or valine' 0 C--N 1.281 -2.397 0 N-CA-C 107.073 -1.454 . . . . 0.0 107.073 -173.587 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 27' ' ' TYR . . . . . . . . . . . . . 15.8 m-85 -94.84 129.71 41.72 Favored 'General case' 0 C--N 1.298 -1.667 0 O-C-N 124.201 0.938 . . . . 0.0 111.134 -173.444 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 28' ' ' TYR . . . . . 0.518 ' HA ' ' O ' ' A' ' 37' ' ' VAL . 84.7 m-85 -128.89 147.41 50.82 Favored 'General case' 0 N--CA 1.419 -2.01 0 CA-C-N 114.151 -1.386 . . . . 0.0 110.651 -178.147 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 29' ' ' ASP . . . . . 0.471 ' HB3' ' HB ' ' A' ' 37' ' ' VAL . 4.6 t0 -98.49 102.41 14.14 Favored 'General case' 0 C--N 1.301 -1.514 0 N-CA-C 106.563 -1.644 . . . . 0.0 106.563 175.295 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . -173.24 152.86 16.7 Favored Glycine 0 C--N 1.311 -0.844 0 C-N-CA 120.061 -1.066 . . . . 0.0 113.643 177.817 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 31' ' ' HIS . . . . . . . . . . . . . 84.8 m-70 -98.78 -16.09 19.05 Favored 'General case' 0 C--N 1.313 -0.987 0 CA-C-O 121.034 0.445 . . . . 0.0 109.812 172.927 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 32' ' ' LEU . . . . . 0.422 ' HB2' ' OG1' ' A' ' 35' ' ' THR . 43.4 mt -128.83 161.37 58.07 Favored Pre-proline 0 C--N 1.319 -0.746 0 N-CA-C 107.101 -1.444 . . . . 0.0 107.101 -178.599 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 33' ' ' PRO . . . . . . . . . . . . . 50.0 Cg_endo -68.1 -4.26 12.26 Favored 'Trans proline' 0 CA--C 1.532 0.425 0 C-N-CA 122.432 2.088 . . . . 0.0 111.32 174.378 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -91.35 -34.54 14.85 Favored 'General case' 0 CA--C 1.507 -0.697 0 CA-C-O 122.597 1.189 . . . . 0.0 109.406 -178.79 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 35' ' ' THR . . . . . 0.422 ' OG1' ' HB2' ' A' ' 32' ' ' LEU . 0.2 OUTLIER -89.94 -27.21 19.98 Favored 'General case' 0 N--CA 1.42 -1.959 0 CA-C-N 113.783 -1.553 . . . . 0.0 112.242 -169.881 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 36' ' ' ARG . . . . . 0.469 ' HD2' ' O ' ' A' ' 36' ' ' ARG 0.282 0.0 OUTLIER -42.8 104.77 0.04 OUTLIER 'General case' 0 CA--C 1.538 0.503 0 O-C-N 125.086 1.491 . . . . 0.0 114.177 -173.543 . . . . . . . . 4 4 . 1 . 020 nuclear build full ' A' A ' 37' ' ' VAL . . . . . 0.518 ' O ' ' HA ' ' A' ' 28' ' ' TYR . 61.8 t -94.13 128.68 45.27 Favored 'Isoleucine or valine' 0 CA--C 1.505 -0.773 0 CA-C-N 113.961 -1.472 . . . . 0.0 108.56 -175.925 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 3.3 tm? -64.59 112.59 3.24 Favored 'General case' 0 C--N 1.317 -0.831 0 O-C-N 123.921 0.763 . . . . 0.0 109.787 -179.288 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 94.6 mt -91.08 -60.89 1.79 Allowed 'General case' 0 N--CA 1.437 -1.109 0 N-CA-C 107.97 -1.122 . . . . 0.0 107.97 173.88 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 40' ' ' MET . . . . . . . . . . . . . 22.2 ptp -169.94 164.84 9.65 Favored 'General case' 0 CA--C 1.515 -0.376 0 CA-C-N 115.727 -0.669 . . . . 0.0 112.764 -178.864 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 41' ' ' TYR . . . . . . . . . . . . . 11.7 m-85 -100.22 138.39 37.35 Favored 'General case' 0 C--N 1.31 -1.139 0 CA-C-N 114.083 -1.417 . . . . 0.0 108.708 175.562 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 39.4 t -127.93 136.87 59.14 Favored 'Isoleucine or valine' 0 C--N 1.307 -1.267 0 N-CA-C 105.81 -1.922 . . . . 0.0 105.81 174.919 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 42.4 ttt-85 -81.83 148.59 28.76 Favored 'General case' 0 C--N 1.297 -1.689 0 N-CA-C 108.684 -0.858 . . . . 0.0 108.684 -179.826 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 44' ' ' ILE . . . . . 0.628 HG12 ' C ' ' A' ' 23' ' ' ARG . 45.0 mm -64.01 126.79 23.38 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.67 0 N-CA-C 107.056 -1.461 . . . . 0.0 107.056 174.452 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . 90.27 25.18 26.98 Favored Glycine 0 C--N 1.289 -2.072 0 CA-C-N 114.585 -1.189 . . . . 0.0 110.389 177.421 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 46' ' ' ASN . . . . . . . . . . . . . 51.6 t30 -143.18 158.72 43.37 Favored 'General case' 0 N--CA 1.431 -1.384 0 N-CA-C 109.38 -0.6 . . . . 0.0 109.38 179.57 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 14.7 p -108.87 159.1 17.07 Favored 'General case' 0 C--N 1.289 -2.04 0 CA-C-N 114.765 -1.107 . . . . 0.0 111.1 -179.299 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -158.36 149.57 20.87 Favored 'General case' 0 C--N 1.306 -1.31 0 CA-C-N 115.198 -0.91 . . . . 0.0 110.054 176.652 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 20.0 m -99.78 115.66 30.06 Favored 'General case' 0 C--N 1.306 -1.301 0 N-CA-C 106.588 -1.634 . . . . 0.0 106.588 175.793 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 50' ' ' ILE . . . . . 0.485 ' O ' ' HA ' ' A' ' 56' ' ' GLU . 20.1 mm -95.09 109.87 23.06 Favored 'Isoleucine or valine' 0 C--N 1.308 -1.197 0 N-CA-C 108.261 -1.014 . . . . 0.0 108.261 -174.69 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 51' ' ' THR . . . . . 0.45 ' HA ' ' O ' ' A' ' 55' ' ' HIS . 6.8 m -91.07 124.19 35.11 Favored 'General case' 0 C--N 1.295 -1.799 0 N-CA-C 107.213 -1.402 . . . . 0.0 107.213 174.009 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -151.15 124.11 8.67 Favored 'General case' 0 C--N 1.308 -1.213 0 N-CA-C 108.495 -0.928 . . . . 0.0 108.495 177.35 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 53' ' ' ARG . . . . . . . . . . . . . 78.6 mtt180 62.87 23.33 13.93 Favored 'General case' 0 N--CA 1.476 0.862 0 C-N-CA 124.5 1.12 . . . . 0.0 111.641 177.233 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . 92.56 -3.29 74.87 Favored Glycine 0 C--N 1.31 -0.909 0 CA-C-N 115.413 -0.812 . . . . 0.0 112.784 -178.971 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 55' ' ' HIS . . . . . 0.45 ' O ' ' HA ' ' A' ' 51' ' ' THR . 7.9 m-70 -99.45 139.7 34.72 Favored 'General case' 0 C--N 1.32 -0.713 0 N-CA-C 107.571 -1.27 . . . . 0.0 107.571 -178.877 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 56' ' ' GLU . . . . . 0.485 ' HA ' ' O ' ' A' ' 50' ' ' ILE . 16.2 mt-10 -114.33 126.66 55.26 Favored 'General case' 0 C--N 1.303 -1.435 0 N-CA-C 109.732 -0.47 . . . . 0.0 109.732 173.499 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 57' ' ' PHE . . . . . . . . . . . . . 50.7 m-85 -115.23 115.27 26.41 Favored 'General case' 0 C--N 1.306 -1.302 0 N-CA-C 108.264 -1.013 . . . . 0.0 108.264 -178.896 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 40.9 tt0 -87.59 110.7 20.57 Favored 'General case' 0 C--N 1.306 -1.297 0 N-CA-C 106.53 -1.656 . . . . 0.0 106.53 179.59 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 59' ' ' VAL . . . . . 0.508 HG12 ' CD1' ' A' ' 70' ' ' LEU . 6.2 m -117.77 160.66 17.21 Favored 'Isoleucine or valine' 0 C--N 1.302 -1.48 0 CA-C-N 115.581 -0.736 . . . . 0.0 110.898 -172.909 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 44.6 tt0 -126.82 108.81 11.36 Favored 'General case' 0 N--CA 1.43 -1.426 0 N-CA-C 106.428 -1.693 . . . . 0.0 106.428 175.048 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -79.65 87.65 5.18 Favored 'General case' 0 C--N 1.31 -1.126 0 N-CA-C 105.255 -2.128 . . . . 0.0 105.255 174.666 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 62.2 pttt -88.17 -25.16 23.09 Favored 'General case' 0 C--N 1.309 -1.188 0 N-CA-C 113.811 1.041 . . . . 0.0 113.811 -174.208 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 17.3 t70 -136.23 153.73 51.13 Favored 'General case' 0 C--N 1.307 -1.249 0 C-N-CA 119.678 -0.809 . . . . 0.0 109.117 -171.91 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 64' ' ' GLN . . . . . . . . . . . . . 79.3 mt-30 -69.31 -6.92 32.61 Favored 'General case' 0 C--O 1.237 0.404 0 O-C-N 123.896 0.747 . . . . 0.0 112.019 -176.887 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 65' ' ' ASN . . . . . . . . . . . . . 32.6 t-20 -59.16 -40.35 85.31 Favored 'General case' 0 CA--C 1.511 -0.52 0 N-CA-C 106.971 -1.492 . . . . 0.0 106.971 174.661 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 66' ' ' CYS . . . . . . . . . . . . . 81.9 m 60.91 45.38 9.65 Favored 'General case' 0 N--CA 1.443 -0.795 0 CA-C-N 114.514 -1.221 . . . . 0.0 111.064 -177.464 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 37.3 ttmt -81.24 157.19 25.26 Favored 'General case' 0 N--CA 1.405 -2.713 0 N-CA-C 104.765 -2.309 . . . . 0.0 104.765 172.348 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 68' ' ' VAL . . . . . . . . . . . . . 9.9 p -83.07 99.1 5.52 Favored 'Isoleucine or valine' 0 C--N 1.285 -2.196 0 CA-C-O 122.58 1.181 . . . . 0.0 109.672 -176.623 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 69' ' ' ILE . . . . . . . . . . . . . 90.5 mt -121.75 119.81 59.84 Favored 'Isoleucine or valine' 0 C--N 1.315 -0.922 0 CA-C-N 114.74 -1.118 . . . . 0.0 108.902 -177.994 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 70' ' ' LEU . . . . . 0.508 ' CD1' HG12 ' A' ' 59' ' ' VAL . 6.3 mp -94.89 136.84 34.72 Favored 'General case' 0 C--N 1.298 -1.662 0 CA-C-N 114.487 -1.233 . . . . 0.0 108.221 -179.027 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 71' ' ' THR . . . . . . . . . . . . . 10.8 t -83.28 1.84 38.95 Favored 'General case' 0 C--N 1.293 -1.868 0 CA-C-O 122.429 1.109 . . . . 0.0 110.924 -169.522 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 72' ' ' ASN . . . . . . . . . . . . . 93.2 m-20 -95.74 -6.87 38.77 Favored 'General case' 0 C--N 1.312 -1.044 0 CA-C-N 115.302 -0.863 . . . . 0.0 109.902 178.641 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 73' ' ' GLY . . . . . . . . . . . . . . . 92.64 16.63 48.21 Favored Glycine 0 CA--C 1.502 -0.771 0 N-CA-C 109.576 -1.409 . . . . 0.0 109.576 -179.714 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 74' ' ' LYS . . . . . 0.491 ' O ' ' HB2' ' A' ' 70' ' ' LEU . 72.0 mmtt -96.46 146.89 24.38 Favored 'General case' 0 N--CA 1.429 -1.492 0 CA-C-N 113.339 -1.43 . . . . 0.0 110.982 -175.373 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 75' ' ' GLN . . . . . . . . . . . . . 97.1 mt-30 -87.25 153.65 21.32 Favored 'General case' 0 C--N 1.304 -1.383 0 N-CA-C 104.864 -2.273 . . . . 0.0 104.864 170.188 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 76' ' ' ALA . . . . . 0.409 ' HB2' ' CD1' ' A' ' 70' ' ' LEU . . . -108.77 155.02 41.4 Favored Pre-proline 0 C--N 1.279 -2.473 0 N-CA-C 109.004 -0.739 . . . . 0.0 109.004 177.315 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 77' ' ' PRO . . . . . . . . . . . . . 79.3 Cg_exo -51.13 159.91 2.41 Favored 'Trans proline' 0 C--N 1.35 0.614 0 C-N-CA 123.575 2.85 . . . . 0.0 113.433 176.71 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 78' ' ' ASP . . . . . . . . . . . . . 6.7 m-20 -70.12 -1.44 10.05 Favored 'General case' 0 C--N 1.316 -0.871 0 C-N-CA 124.85 1.26 . . . . 0.0 112.012 -174.52 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 79' ' ' TRP . . . . . . . . . . . . . 57.6 p-90 -111.52 -3.94 14.98 Favored 'General case' 0 N--CA 1.444 -0.735 0 C-N-CA 122.92 0.488 . . . . 0.0 111.98 -179.92 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 32.0 tp -89.8 105.94 18.14 Favored 'General case' 0 C--N 1.311 -1.079 0 C-N-CA 119.141 -1.024 . . . . 0.0 110.048 -179.502 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -108.54 162.94 13.67 Favored 'General case' 0 C--N 1.315 -0.918 0 CA-C-O 121.771 0.796 . . . . 0.0 111.396 -177.685 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 82' ' ' ALA . . . . . 0.567 ' HA ' ' O ' ' A' ' 26' ' ' VAL . . . -147.78 141.9 26.06 Favored 'General case' 0 C--N 1.305 -1.367 0 CA-C-N 114.08 -1.418 . . . . 0.0 107.778 175.025 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 10.3 pt-20 -146.21 142.63 17.83 Favored Pre-proline 0 C--N 1.312 -1.046 0 N-CA-C 107.296 -1.372 . . . . 0.0 107.296 177.711 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 84' ' ' PRO . . . . . 0.667 ' HA ' ' O ' ' A' ' 24' ' ' SER . 72.3 Cg_endo -67.75 130.58 22.24 Favored 'Trans proline' 0 N--CA 1.453 -0.9 0 CA-C-N 121.085 1.423 . . . . 0.0 110.447 173.633 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 85' ' ' TYR . . . . . . . . . . . . . 0.3 OUTLIER . . . . . 0 C--N 1.318 -0.773 0 CA-C-N 113.995 -1.457 . . . . 0.0 114.67 -172.3 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 31.1 m . . . . . 0 N--CA 1.453 -0.296 0 CA-C-O 120.577 0.227 . . . . 0.0 111.204 . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . -105.82 88.14 0.55 Allowed Glycine 0 N--CA 1.431 -1.668 0 C-N-CA 119.051 -1.547 . . . . 0.0 113.83 -176.827 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 92.0 mtt180 -150.47 97.23 2.49 Favored 'General case' 0 C--N 1.308 -1.215 0 N-CA-C 106.386 -1.709 . . . . 0.0 106.386 172.51 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 31.1 mt-10 -75.85 96.57 3.72 Favored 'General case' 0 C--N 1.303 -1.439 0 CA-C-O 121.875 0.845 . . . . 0.0 109.272 177.821 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 11' ' ' ASN . . . . . . . . . . . . . 3.9 t-20 -134.39 151.03 50.96 Favored 'General case' 0 C--N 1.307 -1.268 0 N-CA-C 104.723 -2.325 . . . . 0.0 104.723 -177.752 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 4.5 pp -80.67 158.15 25.7 Favored 'General case' 0 C--N 1.312 -1.053 0 CA-C-O 122.056 0.931 . . . . 0.0 111.284 -178.662 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 13' ' ' TYR . . . . . . . . . . . . . 82.1 m-85 -105.09 141.52 36.5 Favored 'General case' 0 C--N 1.294 -1.807 0 CA-C-N 114.227 -1.351 . . . . 0.0 107.436 175.456 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 14' ' ' PHE . . . . . . . . . . . . . 51.1 p90 -62.74 146.25 52.84 Favored 'General case' 0 C--N 1.309 -1.185 0 O-C-N 123.987 0.804 . . . . 0.0 111.992 -176.699 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 24.7 pt20 -69.33 116.57 9.91 Favored 'General case' 0 N--CA 1.433 -1.322 0 N-CA-C 105.415 -2.069 . . . . 0.0 105.415 170.93 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . -121.0 175.45 16.08 Favored Glycine 0 N--CA 1.429 -1.82 0 N-CA-C 110.484 -1.046 . . . . 0.0 110.484 -175.59 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 17' ' ' HIS . . . . . . . . . . . . . 70.9 m-70 -68.85 115.47 8.22 Favored 'General case' 0 C--N 1.312 -1.038 0 CA-C-O 121.624 0.726 . . . . 0.0 109.393 179.979 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 18' ' ' MET . . . . . . . . . . . . . 26.8 ptt? -123.55 -179.76 4.47 Favored 'General case' 0 C--N 1.299 -1.621 0 N-CA-C 107.039 -1.467 . . . . 0.0 107.039 -178.961 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -77.94 116.18 18.24 Favored 'General case' 0 N--CA 1.437 -1.098 0 N-CA-C 107.214 -1.402 . . . . 0.0 107.214 178.166 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -96.64 136.94 21.5 Favored Pre-proline 0 C--N 1.307 -1.261 0 N-CA-C 109.481 -0.563 . . . . 0.0 109.481 -177.545 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 21' ' ' PRO . . . . . . . . . . . . . 25.7 Cg_endo -63.92 89.8 0.16 Allowed 'Trans proline' 0 C--N 1.349 0.556 0 C-N-CA 122.665 2.244 . . . . 0.0 111.875 179.286 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -102.58 14.27 32.37 Favored 'General case' 0 C--N 1.312 -1.059 0 CA-C-N 114.821 -1.081 . . . . 0.0 112.595 -175.522 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 23' ' ' ARG . . . . . 0.581 ' C ' HG12 ' A' ' 44' ' ' ILE . 94.6 mtt180 59.95 35.94 21.66 Favored 'General case' 0 C--N 1.3 -1.568 0 N-CA-C 115.559 1.689 . . . . 0.0 115.559 178.024 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 24' ' ' SER . . . . . 0.701 ' O ' ' HA ' ' A' ' 84' ' ' PRO . 39.5 m -152.13 141.85 21.89 Favored 'General case' 0 C--N 1.304 -1.392 0 N-CA-C 106.308 -1.738 . . . . 0.0 106.308 172.003 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 25' ' ' CYS . . . . . . . . . . . . . 93.6 m -107.49 130.54 54.83 Favored 'General case' 0 CA--C 1.491 -1.31 0 N-CA-C 106.074 -1.824 . . . . 0.0 106.074 177.399 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 26' ' ' VAL . . . . . 0.493 ' O ' ' HA ' ' A' ' 82' ' ' ALA . 2.9 t -113.13 117.91 56.63 Favored 'Isoleucine or valine' 0 C--N 1.288 -2.076 0 N-CA-C 106.501 -1.666 . . . . 0.0 106.501 -174.93 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 27' ' ' TYR . . . . . . . . . . . . . 70.5 m-85 -90.24 130.36 36.38 Favored 'General case' 0 C--N 1.295 -1.793 0 CA-C-N 114.567 -1.197 . . . . 0.0 109.882 -174.202 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 28' ' ' TYR . . . . . 0.504 ' HA ' ' O ' ' A' ' 37' ' ' VAL . 95.4 m-85 -132.73 145.84 51.36 Favored 'General case' 0 N--CA 1.413 -2.303 0 CA-C-N 114.197 -1.365 . . . . 0.0 110.235 -178.008 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 29' ' ' ASP . . . . . 0.482 ' HB3' ' HB ' ' A' ' 37' ' ' VAL . 3.2 t70 -89.64 102.39 15.08 Favored 'General case' 0 C--N 1.3 -1.556 0 N-CA-C 105.718 -1.956 . . . . 0.0 105.718 168.828 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . -164.21 127.58 1.68 Allowed Glycine 0 N--CA 1.414 -2.779 0 C-N-CA 119.901 -1.143 . . . . 0.0 111.875 -177.865 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 31' ' ' HIS . . . . . . . . . . . . . 28.2 t-80 -73.78 -33.48 64.25 Favored 'General case' 0 C--N 1.285 -2.206 0 CA-C-N 112.452 -1.874 . . . . 0.0 107.281 177.281 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 32.4 mt -125.54 162.63 43.52 Favored Pre-proline 0 N--CA 1.437 -1.112 0 N-CA-C 104.753 -2.314 . . . . 0.0 104.753 179.764 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 33' ' ' PRO . . . . . . . . . . . . . 70.0 Cg_endo -73.53 4.07 4.28 Favored 'Trans proline' 0 CA--C 1.535 0.549 0 C-N-CA 122.243 1.962 . . . . 0.0 110.631 174.562 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -97.14 -44.29 7.02 Favored 'General case' 0 C--N 1.32 -0.715 0 CA-C-N 115.768 -0.651 . . . . 0.0 111.368 177.829 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 5.9 p -90.42 15.69 10.2 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-O 121.695 0.759 . . . . 0.0 112.578 -174.521 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 36' ' ' ARG . . . . . 0.484 ' HB2' ' HB3' ' A' ' 28' ' ' TYR . 33.5 ptt180 -67.4 128.66 37.25 Favored 'General case' 0 C--N 1.312 -1.028 0 CA-C-N 114.549 -1.205 . . . . 0.0 112.903 -176.146 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 37' ' ' VAL . . . . . 0.504 ' O ' ' HA ' ' A' ' 28' ' ' TYR . 96.7 t -106.52 128.79 60.83 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.755 0 N-CA-C 107.971 -1.122 . . . . 0.0 107.971 177.736 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 3.4 tm? -67.57 110.75 3.81 Favored 'General case' 0 C--N 1.315 -0.926 0 C-N-CA 123.418 0.687 . . . . 0.0 110.709 -176.715 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 84.0 mt -91.63 -60.65 1.82 Allowed 'General case' 0 C--N 1.319 -0.761 0 CA-C-N 115.727 -0.67 . . . . 0.0 110.19 176.594 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 40' ' ' MET . . . . . . . . . . . . . 21.8 ptp -172.01 164.09 6.17 Favored 'General case' 0 N--CA 1.476 0.857 0 N-CA-C 112.601 0.593 . . . . 0.0 112.601 179.901 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 41' ' ' TYR . . . . . . . . . . . . . 52.0 m-85 -106.37 124.47 49.64 Favored 'General case' 0 C--N 1.317 -0.814 0 CA-C-N 114.22 -1.355 . . . . 0.0 108.184 177.431 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 42.9 t -117.53 136.78 53.6 Favored 'Isoleucine or valine' 0 C--N 1.308 -1.196 0 N-CA-C 108.016 -1.105 . . . . 0.0 108.016 178.052 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 15.7 ttt180 -70.71 140.2 51.36 Favored 'General case' 0 C--N 1.303 -1.446 0 N-CA-C 108.394 -0.965 . . . . 0.0 108.394 177.819 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 44' ' ' ILE . . . . . 0.581 HG12 ' C ' ' A' ' 23' ' ' ARG . 41.4 mm -61.69 126.26 19.45 Favored 'Isoleucine or valine' 0 C--N 1.316 -0.862 0 N-CA-C 107.578 -1.267 . . . . 0.0 107.578 174.541 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . 96.38 24.59 13.88 Favored Glycine 0 C--N 1.29 -1.992 0 CA-C-N 114.557 -1.201 . . . . 0.0 110.573 178.618 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 46' ' ' ASN . . . . . . . . . . . . . 49.3 t30 -139.87 157.65 45.37 Favored 'General case' 0 C--N 1.311 -1.096 0 CA-C-O 121.112 0.482 . . . . 0.0 110.577 178.0 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 47' ' ' THR . . . . . 0.434 ' HA ' ' HA ' ' A' ' 60' ' ' GLU . 20.5 p -101.44 153.23 19.87 Favored 'General case' 0 C--N 1.298 -1.664 0 CA-C-N 114.861 -1.063 . . . . 0.0 110.551 179.526 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -154.65 128.51 8.76 Favored 'General case' 0 C--N 1.304 -1.386 0 N-CA-C 113.721 1.008 . . . . 0.0 113.721 177.494 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 7.6 m -72.72 109.15 6.13 Favored 'General case' 0 C--N 1.313 -0.99 0 CA-C-N 114.901 -1.045 . . . . 0.0 108.275 171.373 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 50' ' ' ILE . . . . . 0.45 ' O ' ' HA ' ' A' ' 56' ' ' GLU . 27.3 mm -96.44 114.31 32.95 Favored 'Isoleucine or valine' 0 C--N 1.307 -1.25 0 N-CA-C 107.51 -1.293 . . . . 0.0 107.51 179.765 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 12.1 m -99.56 124.33 44.64 Favored 'General case' 0 C--N 1.292 -1.897 0 C-N-CA 117.761 -1.576 . . . . 0.0 107.546 175.206 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -143.7 121.77 12.13 Favored 'General case' 0 C--N 1.304 -1.398 0 N-CA-C 107.612 -1.255 . . . . 0.0 107.612 178.057 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 53' ' ' ARG . . . . . . . . . . . . . 80.0 mtt85 66.29 20.51 11.04 Favored 'General case' 0 C--N 1.321 -0.644 0 C-N-CA 124.258 1.023 . . . . 0.0 112.496 179.989 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . 83.85 19.04 62.17 Favored Glycine 0 N--CA 1.443 -0.873 0 CA-C-N 114.685 -1.143 . . . . 0.0 111.29 -179.066 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 55' ' ' HIS . . . . . . . . . . . . . 76.1 m-70 -118.51 127.25 53.46 Favored 'General case' 0 C--N 1.316 -0.882 0 N-CA-C 107.151 -1.425 . . . . 0.0 107.151 176.244 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 56' ' ' GLU . . . . . 0.45 ' HA ' ' O ' ' A' ' 50' ' ' ILE . 1.7 mp0 -98.78 128.91 45.15 Favored 'General case' 0 N--CA 1.432 -1.367 0 N-CA-C 109.474 -0.565 . . . . 0.0 109.474 178.968 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 57' ' ' PHE . . . . . . . . . . . . . 68.9 m-85 -115.54 112.06 21.64 Favored 'General case' 0 N--CA 1.421 -1.885 0 N-CA-C 105.773 -1.936 . . . . 0.0 105.773 177.951 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 5.3 tp10 -80.91 109.92 15.95 Favored 'General case' 0 C--N 1.307 -1.28 0 N-CA-C 105.977 -1.86 . . . . 0.0 105.977 178.857 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 59' ' ' VAL . . . . . 0.57 HG12 ' CD1' ' A' ' 70' ' ' LEU . 10.1 m -106.08 167.61 3.15 Favored 'Isoleucine or valine' 0 C--N 1.302 -1.476 0 CA-C-O 121.25 0.548 . . . . 0.0 110.075 -176.804 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 60' ' ' GLU . . . . . 0.434 ' HA ' ' HA ' ' A' ' 47' ' ' THR . 43.5 tt0 -135.31 122.75 21.91 Favored 'General case' 0 C--N 1.297 -1.68 0 N-CA-C 105.487 -2.042 . . . . 0.0 105.487 167.882 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -76.76 89.73 3.42 Favored 'General case' 0 C--N 1.308 -1.236 0 N-CA-C 106.912 -1.514 . . . . 0.0 106.912 176.64 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 75.5 mmtt -65.02 -58.5 5.92 Favored 'General case' 0 C--N 1.322 -0.619 0 CA-C-N 114.197 -1.365 . . . . 0.0 112.493 -174.07 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 27.1 t70 -141.78 159.72 41.65 Favored 'General case' 0 C--N 1.303 -1.441 0 CA-C-N 115.375 -0.83 . . . . 0.0 109.872 -172.932 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 64' ' ' GLN . . . . . . . . . . . . 0.27 0.6 OUTLIER -71.01 2.89 3.84 Favored 'General case' 0 C--N 1.326 -0.446 0 N-CA-C 115.581 1.697 . . . . 0.0 115.581 -177.344 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 65' ' ' ASN . . . . . . . . . . . . . 44.2 t-20 -73.31 -33.76 65.33 Favored 'General case' 0 C--N 1.324 -0.524 0 N-CA-C 105.541 -2.022 . . . . 0.0 105.541 168.545 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 66' ' ' CYS . . . . . . . . . . . . 0.299 91.9 m 70.01 55.16 0.33 Allowed 'General case' 0 N--CA 1.445 -0.68 0 N-CA-C 117.199 2.296 . . . . 0.0 117.199 175.642 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 4.9 mptp? -75.29 154.88 37.18 Favored 'General case' 0 N--CA 1.432 -1.326 0 N-CA-C 108.473 -0.936 . . . . 0.0 108.473 165.677 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 68' ' ' VAL . . . . . . . . . . . . . 4.5 p -91.77 98.84 8.84 Favored 'Isoleucine or valine' 0 C--N 1.283 -2.299 0 N-CA-C 107.501 -1.296 . . . . 0.0 107.501 176.248 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 69' ' ' ILE . . . . . . . . . . . . . 80.9 mt -117.07 123.48 71.88 Favored 'Isoleucine or valine' 0 C--N 1.302 -1.472 0 N-CA-C 106.539 -1.652 . . . . 0.0 106.539 -177.42 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 70' ' ' LEU . . . . . 0.703 HD21 ' HB2' ' A' ' 76' ' ' ALA . 2.4 mm? -85.56 137.33 32.94 Favored 'General case' 0 N--CA 1.403 -2.778 0 CA-C-N 114.906 -1.043 . . . . 0.0 109.737 -174.626 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 71' ' ' THR . . . . . . . . . . . . . 5.0 t -84.03 -5.6 59.26 Favored 'General case' 0 C--N 1.272 -2.79 0 CA-C-N 112.991 -1.913 . . . . 0.0 109.359 -175.277 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 72' ' ' ASN . . . . . . . . . . . . . 31.6 p30 -88.13 -15.38 36.28 Favored 'General case' 0 N--CA 1.447 -0.597 0 CA-C-N 115.439 -0.801 . . . . 0.0 109.942 177.709 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 73' ' ' GLY . . . . . . . . . . . . . . . 114.09 3.09 23.25 Favored Glycine 0 CA--C 1.502 -0.758 0 CA-C-N 115.319 -0.855 . . . . 0.0 111.457 172.151 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 30.5 mmtp -89.62 167.62 12.79 Favored 'General case' 0 C--N 1.305 -1.344 0 N-CA-C 113.133 0.79 . . . . 0.0 113.133 -178.419 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 75' ' ' GLN . . . . . . . . . . . . . 61.4 tt0 -106.34 135.45 47.8 Favored 'General case' 0 C--N 1.309 -1.176 0 N-CA-C 105.311 -2.107 . . . . 0.0 105.311 168.605 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 76' ' ' ALA . . . . . 0.703 ' HB2' HD21 ' A' ' 70' ' ' LEU . . . -88.54 156.17 50.7 Favored Pre-proline 0 C--N 1.306 -1.299 0 N-CA-C 110.254 -0.276 . . . . 0.0 110.254 -177.312 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 77' ' ' PRO . . . . . . . . . . . . . 83.1 Cg_exo -54.96 159.79 8.9 Favored 'Trans proline' 0 C--O 1.241 0.651 0 C-N-CA 123.373 2.716 . . . . 0.0 112.375 174.285 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 78' ' ' ASP . . . . . . . . . . . . . 30.1 t70 -64.74 -28.66 69.74 Favored 'General case' 0 C--N 1.314 -0.962 0 C-N-CA 124.387 1.075 . . . . 0.0 110.845 -177.141 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 79' ' ' TRP . . . . . . . . . . . . . 63.7 p-90 -76.9 -13.8 59.95 Favored 'General case' 0 C--O 1.219 -0.54 0 CA-C-N 115.332 -0.849 . . . . 0.0 112.848 179.675 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 80' ' ' LEU . . . . . 0.481 HD23 ' HB1' ' A' ' 76' ' ' ALA . 32.1 tp -92.03 113.32 25.55 Favored 'General case' 0 N--CA 1.436 -1.126 0 N-CA-C 107.069 -1.456 . . . . 0.0 107.069 -178.439 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -120.23 159.72 24.37 Favored 'General case' 0 C--N 1.307 -1.258 0 CA-C-O 121.448 0.642 . . . . 0.0 111.127 -176.989 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 82' ' ' ALA . . . . . 0.493 ' HA ' ' O ' ' A' ' 26' ' ' VAL . . . -142.04 138.06 31.53 Favored 'General case' 0 C--N 1.302 -1.485 0 CA-C-N 114.621 -1.172 . . . . 0.0 107.859 174.27 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 9.8 pt-20 -140.42 145.78 42.47 Favored Pre-proline 0 C--N 1.307 -1.276 0 N-CA-C 106.467 -1.679 . . . . 0.0 106.467 176.253 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 84' ' ' PRO . . . . . 0.701 ' HA ' ' O ' ' A' ' 24' ' ' SER . 95.0 Cg_endo -68.37 133.89 29.52 Favored 'Trans proline' 0 N--CA 1.449 -1.109 0 C-N-CA 121.138 1.225 . . . . 0.0 110.175 175.671 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 85' ' ' TYR . . . . . . . . . . . . 0.251 0.6 OUTLIER . . . . . 0 C--O 1.245 0.821 0 N-CA-C 115.097 1.517 . . . . 0.0 115.097 -170.927 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 23.2 t . . . . . 0 C--O 1.238 0.487 0 N-CA-C 107.696 -1.224 . . . . 0.0 107.696 . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . -100.92 107.18 3.22 Favored Glycine 0 N--CA 1.432 -1.593 0 N-CA-C 108.804 -1.718 . . . . 0.0 108.804 176.458 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 10.6 ptp180 -92.0 130.55 37.72 Favored 'General case' 0 C--N 1.309 -1.156 0 CA-C-O 121.89 0.852 . . . . 0.0 112.531 -178.42 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 45.4 mt-10 -104.27 95.97 6.32 Favored 'General case' 0 C--N 1.302 -1.478 0 N-CA-C 106.32 -1.733 . . . . 0.0 106.32 174.938 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 11' ' ' ASN . . . . . . . . . . . . . 14.7 t-20 -150.17 175.14 12.03 Favored 'General case' 0 C--N 1.289 -2.061 0 N-CA-C 105.306 -2.109 . . . . 0.0 105.306 -175.527 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 4.0 pp -71.2 143.9 50.31 Favored 'General case' 0 C--N 1.319 -0.756 0 N-CA-C 106.705 -1.591 . . . . 0.0 106.705 177.039 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 13' ' ' TYR . . . . . 0.433 ' HB2' ' OE1' ' A' ' 15' ' ' GLN . 13.0 p90 -95.52 110.34 22.43 Favored 'General case' 0 C--N 1.291 -1.938 0 CA-C-O 121.562 0.696 . . . . 0.0 110.95 -175.781 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 14' ' ' PHE . . . . . . . . . . . . . 27.3 p90 -117.43 101.18 8.18 Favored 'General case' 0 N--CA 1.434 -1.253 0 CA-C-N 114.602 -1.181 . . . . 0.0 108.922 -178.944 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 15' ' ' GLN . . . . . 0.433 ' OE1' ' HB2' ' A' ' 13' ' ' TYR . 0.6 OUTLIER -147.91 145.33 28.58 Favored 'General case' 0 C--N 1.308 -1.216 0 CA-C-N 115.629 -0.714 . . . . 0.0 109.246 -179.427 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . -118.83 119.84 4.47 Favored Glycine 0 N--CA 1.436 -1.346 0 N-CA-C 109.838 -1.305 . . . . 0.0 109.838 -178.771 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 17' ' ' HIS . . . . . . . . . . . . . 62.5 m-70 -129.02 127.64 42.02 Favored 'General case' 0 C--N 1.302 -1.467 0 CA-C-O 121.295 0.569 . . . . 0.0 111.742 -177.997 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 18' ' ' MET . . . . . . . . . . . . . 3.9 tpt -108.61 88.78 2.81 Favored 'General case' 0 C--N 1.301 -1.533 0 N-CA-C 106.014 -1.847 . . . . 0.0 106.014 174.061 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -91.55 94.71 9.56 Favored 'General case' 0 C--N 1.31 -1.144 0 N-CA-C 107.264 -1.384 . . . . 0.0 107.264 179.628 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -99.17 148.56 34.79 Favored Pre-proline 0 C--N 1.303 -1.448 0 CA-C-N 114.828 -1.078 . . . . 0.0 108.585 -178.261 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 21' ' ' PRO . . . . . . . . . . . . . 35.8 Cg_exo -47.41 109.4 0.22 Allowed 'Trans proline' 0 C--N 1.348 0.528 0 C-N-CA 123.432 2.755 . . . . 0.0 111.309 176.093 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -123.7 15.46 9.45 Favored 'General case' 0 C--N 1.316 -0.867 0 CA-C-O 121.867 0.841 . . . . 0.0 112.291 -175.47 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 23' ' ' ARG . . . . . 0.525 ' C ' HG12 ' A' ' 44' ' ' ILE . 41.9 ttt180 69.68 25.53 5.16 Favored 'General case' 0 C--N 1.304 -1.392 0 CA-C-N 113.629 -1.623 . . . . 0.0 112.402 174.88 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 24' ' ' SER . . . . . 0.667 ' O ' ' HA ' ' A' ' 84' ' ' PRO . 72.8 m -159.96 138.48 10.45 Favored 'General case' 0 C--N 1.326 -0.436 0 C-N-CA 123.941 0.896 . . . . 0.0 110.167 175.706 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 25' ' ' CYS . . . . . . . . . . . . . 98.0 m -108.38 133.46 52.54 Favored 'General case' 0 CA--C 1.5 -0.953 0 N-CA-C 107.344 -1.354 . . . . 0.0 107.344 179.095 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 26' ' ' VAL . . . . . 0.632 ' O ' ' HA ' ' A' ' 82' ' ' ALA . 2.8 t -113.87 126.57 71.37 Favored 'Isoleucine or valine' 0 C--N 1.293 -1.857 0 N-CA-C 107.942 -1.133 . . . . 0.0 107.942 -177.072 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 27' ' ' TYR . . . . . 0.464 ' HA ' ' O ' ' A' ' 81' ' ' ALA . 62.2 m-85 -98.0 128.25 44.44 Favored 'General case' 0 C--N 1.298 -1.647 0 O-C-N 124.522 1.138 . . . . 0.0 109.494 -175.419 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 28' ' ' TYR . . . . . 0.418 ' CD1' ' HB2' ' A' ' 36' ' ' ARG . 87.1 m-85 -124.03 147.13 48.08 Favored 'General case' 0 N--CA 1.429 -1.511 0 CA-C-N 114.683 -1.144 . . . . 0.0 110.03 -177.166 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 29' ' ' ASP . . . . . 0.528 ' HB3' ' HB ' ' A' ' 37' ' ' VAL . 6.4 t70 -91.13 107.89 19.5 Favored 'General case' 0 C--N 1.294 -1.846 0 N-CA-C 105.694 -1.965 . . . . 0.0 105.694 171.579 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . -170.06 136.48 4.01 Favored Glycine 0 N--CA 1.425 -2.072 0 C-N-CA 118.099 -2.0 . . . . 0.0 113.104 -179.35 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 31' ' ' HIS . . . . . . . . . . . . . 24.0 m-70 -84.95 -34.73 22.39 Favored 'General case' 0 C--N 1.292 -1.899 0 CA-C-N 113.609 -1.295 . . . . 0.0 107.807 178.258 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 10.2 mp -116.46 154.44 49.02 Favored Pre-proline 0 C--N 1.311 -1.077 0 N-CA-C 106.442 -1.688 . . . . 0.0 106.442 178.694 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 33' ' ' PRO . . . . . . . . . . . . . 15.0 Cg_endo -60.87 -20.14 65.28 Favored 'Trans proline' 0 CA--C 1.531 0.348 0 C-N-CA 122.018 1.812 . . . . 0.0 110.702 175.464 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -87.85 -28.99 21.26 Favored 'General case' 0 CA--C 1.537 0.469 0 CA-C-N 115.797 -0.638 . . . . 0.0 112.187 179.28 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 36.6 p -93.29 21.25 6.19 Favored 'General case' 0 N--CA 1.466 0.368 0 CA-C-O 121.731 0.777 . . . . 0.0 111.968 -175.292 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 36' ' ' ARG . . . . . 0.418 ' HB2' ' CD1' ' A' ' 28' ' ' TYR . 11.4 ptp180 -63.63 134.16 54.95 Favored 'General case' 0 C--N 1.316 -0.874 0 CA-C-N 113.887 -1.506 . . . . 0.0 112.581 179.673 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 37' ' ' VAL . . . . . 0.528 ' HB ' ' HB3' ' A' ' 29' ' ' ASP . 54.1 t -120.79 121.36 65.04 Favored 'Isoleucine or valine' 0 C--N 1.315 -0.929 0 N-CA-C 106.928 -1.508 . . . . 0.0 106.928 172.086 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 3.1 tm? -60.84 109.13 0.97 Allowed 'General case' 0 C--N 1.317 -0.819 0 C-N-CA 125.02 1.328 . . . . 0.0 110.999 -178.249 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 85.3 mt -91.87 -61.19 1.68 Allowed 'General case' 0 C--N 1.326 -0.43 0 N-CA-C 112.911 0.708 . . . . 0.0 112.911 177.862 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 40' ' ' MET . . . . . . . . . . . . . 45.4 ttm -162.61 149.52 13.22 Favored 'General case' 0 N--CA 1.444 -0.772 0 CA-C-N 116.511 -0.313 . . . . 0.0 111.384 -175.373 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 41' ' ' TYR . . . . . . . . . . . . . 45.0 m-85 -100.44 131.76 46.18 Favored 'General case' 0 C--N 1.326 -0.44 0 N-CA-C 107.503 -1.295 . . . . 0.0 107.503 174.026 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 24.9 t -124.62 131.78 72.23 Favored 'Isoleucine or valine' 0 C--N 1.312 -1.049 0 N-CA-C 107.642 -1.244 . . . . 0.0 107.642 177.376 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 43' ' ' ARG . . . . . 0.508 ' O ' ' HB3' ' A' ' 46' ' ' ASN . 2.2 tmt_? -81.4 142.86 32.6 Favored 'General case' 0 C--N 1.301 -1.539 0 N-CA-C 108.444 -0.947 . . . . 0.0 108.444 -177.387 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 44' ' ' ILE . . . . . 0.525 HG12 ' C ' ' A' ' 23' ' ' ARG . 23.4 mm -59.44 124.35 13.54 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.5 0 CA-C-O 121.548 0.69 . . . . 0.0 110.097 179.633 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . 106.6 -18.02 38.58 Favored Glycine 0 C--N 1.306 -1.103 0 N-CA-C 110.133 -1.187 . . . . 0.0 110.133 -179.976 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 46' ' ' ASN . . . . . 0.508 ' HB3' ' O ' ' A' ' 43' ' ' ARG . 25.5 t-20 -98.43 157.31 16.29 Favored 'General case' 0 C--N 1.312 -1.061 0 CA-C-N 114.372 -0.914 . . . . 0.0 111.631 -174.799 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 13.5 p -115.91 148.24 40.23 Favored 'General case' 0 C--N 1.295 -1.803 0 CA-C-N 114.3 -1.318 . . . . 0.0 110.458 178.613 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -152.51 132.52 13.41 Favored 'General case' 0 C--N 1.305 -1.362 0 O-C-N 123.945 0.778 . . . . 0.0 113.005 -178.625 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 1.3 m -77.73 109.93 12.14 Favored 'General case' 0 C--N 1.305 -1.339 0 CA-C-N 114.198 -1.365 . . . . 0.0 110.121 175.668 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 50' ' ' ILE . . . . . . . . . . . . . 29.8 mm -96.03 110.34 24.31 Favored 'Isoleucine or valine' 0 C--N 1.313 -1.022 0 N-CA-C 107.802 -1.185 . . . . 0.0 107.802 -179.823 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 51' ' ' THR . . . . . 0.438 ' HA ' ' O ' ' A' ' 55' ' ' HIS . 86.4 m -95.62 123.23 39.08 Favored 'General case' 0 C--N 1.296 -1.751 0 C-N-CA 119.036 -1.066 . . . . 0.0 109.506 175.532 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -150.5 128.52 11.84 Favored 'General case' 0 C--N 1.314 -0.938 0 N-CA-C 106.859 -1.534 . . . . 0.0 106.859 177.597 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 53' ' ' ARG . . . . . . . . . . . . . 61.5 mtp180 65.44 16.88 10.74 Favored 'General case' 0 N--CA 1.482 1.135 0 C-N-CA 124.163 0.985 . . . . 0.0 112.196 -177.905 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . 84.2 9.49 82.02 Favored Glycine 0 C--N 1.299 -1.489 0 CA-C-N 115.046 -0.979 . . . . 0.0 111.424 -176.576 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 55' ' ' HIS . . . . . 0.438 ' O ' ' HA ' ' A' ' 51' ' ' THR . 12.4 m-70 -105.58 127.28 52.95 Favored 'General case' 0 C--N 1.319 -0.756 0 N-CA-C 108.155 -1.054 . . . . 0.0 108.155 178.41 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 9.5 mp0 -90.9 122.93 34.02 Favored 'General case' 0 N--CA 1.432 -1.338 0 N-CA-C 108.96 -0.755 . . . . 0.0 108.96 172.171 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 57' ' ' PHE . . . . . . . . . . . . . 86.7 m-85 -106.78 108.11 19.46 Favored 'General case' 0 N--CA 1.427 -1.606 0 N-CA-C 104.446 -2.428 . . . . 0.0 104.446 174.004 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 6.9 tp10 -83.88 109.01 17.23 Favored 'General case' 0 C--N 1.306 -1.318 0 N-CA-C 105.147 -2.168 . . . . 0.0 105.147 179.805 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 59' ' ' VAL . . . . . 0.54 HG12 ' CD1' ' A' ' 70' ' ' LEU . 5.3 m -106.74 163.03 5.17 Favored 'Isoleucine or valine' 0 C--N 1.294 -1.837 0 N-CA-C 109.657 -0.497 . . . . 0.0 109.657 -175.031 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 60' ' ' GLU . . . . . 0.441 ' HB2' ' HB ' ' A' ' 71' ' ' THR . 44.2 tt0 -129.92 115.82 17.74 Favored 'General case' 0 C--N 1.291 -1.976 0 N-CA-C 105.84 -1.911 . . . . 0.0 105.84 170.398 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 61' ' ' ALA . . . . . 0.41 ' O ' ' HA ' ' A' ' 44' ' ' ILE . . . -77.49 88.49 3.84 Favored 'General case' 0 C--O 1.209 -1.035 0 N-CA-C 105.103 -2.184 . . . . 0.0 105.103 174.026 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 62' ' ' LYS . . . . . 0.404 ' H ' ' HG2' ' A' ' 62' ' ' LYS . 0.0 OUTLIER -96.06 -24.53 16.29 Favored 'General case' 0 C--N 1.296 -1.76 0 N-CA-C 115.021 1.489 . . . . 0.0 115.021 -171.199 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 30.3 t70 -139.75 143.46 36.97 Favored 'General case' 0 N--CA 1.434 -1.253 0 N-CA-C 108.376 -0.972 . . . . 0.0 108.376 -176.267 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 64' ' ' GLN . . . . . . . . . . . . . 21.8 mm-40 -63.75 -9.25 13.42 Favored 'General case' 0 C--N 1.321 -0.662 0 C-N-CA 124.707 1.203 . . . . 0.0 113.948 -176.079 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 65' ' ' ASN . . . . . . . . . . . . . 41.5 m-80 -84.17 -8.22 59.14 Favored 'General case' 0 CA--C 1.507 -0.68 0 C-N-CA 119.698 -0.801 . . . . 0.0 109.082 179.723 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 66' ' ' CYS . . . . . . . . . . . . 0.275 75.3 m 54.06 56.02 7.57 Favored 'General case' 0 N--CA 1.435 -1.175 0 N-CA-C 117.117 2.266 . . . . 0.0 117.117 172.114 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 4.7 mptp? -78.28 155.11 30.39 Favored 'General case' 0 CA--C 1.48 -1.746 0 N-CA-C 107.148 -1.427 . . . . 0.0 107.148 167.831 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 68' ' ' VAL . . . . . . . . . . . . . 5.2 p -87.11 99.05 7.88 Favored 'Isoleucine or valine' 0 C--N 1.274 -2.713 0 C-N-CA 117.942 -1.503 . . . . 0.0 107.311 176.209 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 69' ' ' ILE . . . . . . . . . . . . . 84.8 mt -119.33 123.14 70.73 Favored 'Isoleucine or valine' 0 N--CA 1.424 -1.767 0 N-CA-C 106.234 -1.765 . . . . 0.0 106.234 -176.988 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 70' ' ' LEU . . . . . 0.612 HD21 ' HB2' ' A' ' 76' ' ' ALA . 2.4 mm? -83.66 146.46 28.24 Favored 'General case' 0 N--CA 1.399 -3.002 0 CA-C-N 114.507 -1.224 . . . . 0.0 108.545 -177.092 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 71' ' ' THR . . . . . 0.441 ' HB ' ' HB2' ' A' ' 60' ' ' GLU . 6.2 t -83.33 -10.65 58.36 Favored 'General case' 0 C--N 1.271 -2.842 0 CA-C-N 113.941 -1.481 . . . . 0.0 110.656 -175.664 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 72' ' ' ASN . . . . . . . . . . . . . 32.4 p-10 -103.24 -14.56 16.3 Favored 'General case' 0 C--N 1.318 -0.78 0 N-CA-C 113.925 1.083 . . . . 0.0 113.925 -173.907 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 73' ' ' GLY . . . . . . . . . . . . . . . 116.45 3.95 18.25 Favored Glycine 0 C--N 1.315 -0.629 0 C-N-CA 119.197 -1.478 . . . . 0.0 112.58 175.642 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 74' ' ' LYS . . . . . 0.421 ' HB2' ' HG ' ' A' ' 70' ' ' LEU . 62.9 mmtt -76.0 167.28 22.15 Favored 'General case' 0 C--N 1.311 -1.081 0 CA-C-O 121.64 0.733 . . . . 0.0 110.759 176.447 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 75' ' ' GLN . . . . . . . . . . . . . 20.5 tt0 -117.38 126.23 52.33 Favored 'General case' 0 C--N 1.297 -1.71 0 N-CA-C 105.019 -2.215 . . . . 0.0 105.019 168.791 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 76' ' ' ALA . . . . . 0.612 ' HB2' HD21 ' A' ' 70' ' ' LEU . . . -87.51 150.18 48.21 Favored Pre-proline 0 C--N 1.305 -1.364 0 C-N-CA 119.977 -0.689 . . . . 0.0 109.597 -178.778 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 77' ' ' PRO . . . . . 0.45 ' HB2' ' CD1' ' A' ' 79' ' ' TRP . 22.7 Cg_exo -65.98 159.59 48.43 Favored 'Trans proline' 0 C--O 1.236 0.414 0 C-N-CA 122.809 2.34 . . . . 0.0 113.11 179.888 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 78' ' ' ASP . . . . . . . . . . . . . 21.0 t70 -59.25 -24.16 62.97 Favored 'General case' 0 C--N 1.318 -0.798 0 C-N-CA 125.39 1.476 . . . . 0.0 113.091 -179.069 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 79' ' ' TRP . . . . . 0.45 ' CD1' ' HB2' ' A' ' 77' ' ' PRO . 64.3 p-90 -76.87 -15.44 59.7 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 121.862 -0.524 . . . . 0.0 111.531 179.393 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 80' ' ' LEU . . . . . 0.61 HD23 ' HB1' ' A' ' 76' ' ' ALA . 28.2 tp -90.39 105.96 18.17 Favored 'General case' 0 N--CA 1.435 -1.21 0 N-CA-C 108.385 -0.968 . . . . 0.0 108.385 -179.124 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 81' ' ' ALA . . . . . 0.464 ' O ' ' HA ' ' A' ' 27' ' ' TYR . . . -103.04 165.99 10.7 Favored 'General case' 0 C--N 1.313 -0.993 0 CA-C-N 115.837 -0.619 . . . . 0.0 110.831 -177.817 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 82' ' ' ALA . . . . . 0.632 ' HA ' ' O ' ' A' ' 26' ' ' VAL . . . -153.46 137.07 15.98 Favored 'General case' 0 C--N 1.308 -1.21 0 CA-C-N 114.515 -1.22 . . . . 0.0 110.49 176.41 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 18.3 pt-20 -138.11 141.61 32.77 Favored Pre-proline 0 C--N 1.321 -0.632 0 N-CA-C 106.275 -1.75 . . . . 0.0 106.275 176.066 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 84' ' ' PRO . . . . . 0.667 ' HA ' ' O ' ' A' ' 24' ' ' SER . 74.1 Cg_endo -68.06 119.67 6.67 Favored 'Trans proline' 0 N--CA 1.454 -0.814 0 CA-C-N 120.959 1.378 . . . . 0.0 109.308 172.429 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 85' ' ' TYR . . . . . 0.642 ' CD1' ' HB2' ' A' ' 24' ' ' SER 0.257 0.1 OUTLIER . . . . . 0 C--O 1.25 1.097 0 N-CA-C 115.931 1.826 . . . . 0.0 115.931 -171.223 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 15.2 m . . . . . 0 N--CA 1.449 -0.484 0 CA-C-O 121.94 0.876 . . . . 0.0 108.945 . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . -116.41 124.22 6.13 Favored Glycine 0 N--CA 1.427 -1.935 0 N-CA-C 109.265 -1.534 . . . . 0.0 109.265 -179.222 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 8.1 ptm180 -132.11 92.01 3.04 Favored 'General case' 0 C--N 1.3 -1.548 0 CA-C-O 122.38 1.086 . . . . 0.0 109.019 179.065 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 10.6 pt-20 -94.76 98.22 10.61 Favored 'General case' 0 N--CA 1.436 -1.159 0 CA-C-N 115.001 -1.0 . . . . 0.0 109.172 179.455 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 11' ' ' ASN . . . . . . . . . . . . . 8.9 t30 -84.39 102.48 12.78 Favored 'General case' 0 C--N 1.308 -1.229 0 N-CA-C 107.582 -1.266 . . . . 0.0 107.582 178.145 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 93.1 mt -83.5 -179.64 7.4 Favored 'General case' 0 C--N 1.305 -1.342 0 CA-C-N 115.536 -0.757 . . . . 0.0 109.285 179.822 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 13' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER -135.88 163.19 30.81 Favored 'General case' 0 C--N 1.286 -2.193 0 CA-C-N 115.276 -0.874 . . . . 0.0 110.498 -178.487 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 14' ' ' PHE . . . . . . . . . . . . . 77.4 m-85 -74.72 104.98 5.58 Favored 'General case' 0 N--CA 1.437 -1.123 0 O-C-N 124.805 1.316 . . . . 0.0 107.893 -179.072 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 11.5 pt20 -92.21 138.96 31.09 Favored 'General case' 0 N--CA 1.434 -1.227 0 CA-C-N 114.689 -1.141 . . . . 0.0 110.279 -173.427 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . -124.18 89.64 0.4 Allowed Glycine 0 N--CA 1.439 -1.119 0 N-CA-C 109.586 -1.405 . . . . 0.0 109.586 178.144 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 17' ' ' HIS . . . . . . . . . . . . . 53.0 m-70 -142.98 170.15 16.24 Favored 'General case' 0 C--N 1.315 -0.892 0 N-CA-C 108.119 -1.067 . . . . 0.0 108.119 -177.374 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 18' ' ' MET . . . . . . . . . . . . . 91.9 mtp -94.44 176.97 6.1 Favored 'General case' 0 C--N 1.32 -0.711 0 N-CA-C 109.546 -0.538 . . . . 0.0 109.546 175.962 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -65.53 108.63 2.08 Favored 'General case' 0 C--N 1.313 -1.01 0 O-C-N 124.43 1.081 . . . . 0.0 110.482 -179.648 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -110.28 146.98 35.38 Favored Pre-proline 0 C--N 1.308 -1.211 0 N-CA-C 108.362 -0.977 . . . . 0.0 108.362 179.572 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 21' ' ' PRO . . . . . . . . . . . . . 73.0 Cg_exo -48.57 112.03 0.55 Allowed 'Trans proline' 0 C--O 1.247 0.931 0 C-N-CA 123.004 2.47 . . . . 0.0 110.058 173.534 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -127.36 25.82 6.08 Favored 'General case' 0 C--N 1.323 -0.573 0 CA-C-N 115.719 -0.673 . . . . 0.0 112.723 -173.036 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 23' ' ' ARG . . . . . 0.631 ' C ' HG12 ' A' ' 44' ' ' ILE . 68.6 mtp180 65.38 20.84 11.86 Favored 'General case' 0 C--N 1.31 -1.114 0 N-CA-C 115.048 1.499 . . . . 0.0 115.048 178.405 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 24' ' ' SER . . . . . 0.681 ' O ' ' HA ' ' A' ' 84' ' ' PRO . 52.9 m -153.72 141.35 19.91 Favored 'General case' 0 C--N 1.32 -0.698 0 O-C-N 121.054 -1.029 . . . . 0.0 110.04 174.714 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 25' ' ' CYS . . . . . . . . . . . . . 96.1 m -108.11 131.11 54.96 Favored 'General case' 0 CA--C 1.495 -1.148 0 N-CA-C 106.668 -1.604 . . . . 0.0 106.668 177.443 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 26' ' ' VAL . . . . . 0.608 ' O ' ' HA ' ' A' ' 82' ' ' ALA . 2.9 t -114.9 124.1 71.23 Favored 'Isoleucine or valine' 0 C--N 1.287 -2.118 0 N-CA-C 107.191 -1.411 . . . . 0.0 107.191 -175.351 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 27' ' ' TYR . . . . . 0.404 ' HA ' ' O ' ' A' ' 81' ' ' ALA . 94.6 m-85 -92.84 135.75 33.86 Favored 'General case' 0 C--N 1.29 -1.997 0 O-C-N 124.514 1.134 . . . . 0.0 109.795 -175.776 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 28' ' ' TYR . . . . . 0.509 ' HB3' ' HB2' ' A' ' 36' ' ' ARG . 42.6 m-85 -129.26 151.32 50.04 Favored 'General case' 0 N--CA 1.416 -2.152 0 CA-C-N 114.622 -1.172 . . . . 0.0 109.461 -179.481 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 29' ' ' ASP . . . . . 0.446 ' HB3' ' HB ' ' A' ' 37' ' ' VAL . 7.1 t0 -102.0 102.4 12.91 Favored 'General case' 0 C--N 1.297 -1.716 0 CA-C-N 114.648 -1.16 . . . . 0.0 108.11 174.034 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . -170.94 134.37 3.09 Favored Glycine 0 N--CA 1.431 -1.646 0 C-N-CA 120.451 -0.881 . . . . 0.0 113.345 178.334 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 31' ' ' HIS . . . . . . . . . . . . . 86.5 m-70 -83.53 -21.16 32.81 Favored 'General case' 0 C--N 1.306 -1.291 0 N-CA-C 106.964 -1.495 . . . . 0.0 106.964 176.16 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 2.5 mm? -124.11 145.62 48.81 Favored Pre-proline 0 N--CA 1.434 -1.239 0 N-CA-C 106.304 -1.739 . . . . 0.0 106.304 175.906 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 33' ' ' PRO . . . . . . . . . . . . . 33.8 Cg_endo -68.14 -8.93 24.21 Favored 'Trans proline' 0 CA--C 1.536 0.623 0 C-N-CA 123.165 2.576 . . . . 0.0 111.192 176.043 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -82.14 -51.34 8.08 Favored 'General case' 0 C--N 1.315 -0.925 0 CA-C-N 115.274 -0.875 . . . . 0.0 109.9 177.4 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 26.8 p -90.79 14.22 14.17 Favored 'General case' 0 C--N 1.312 -1.051 0 CA-C-N 115.256 -0.884 . . . . 0.0 112.462 -173.149 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 36' ' ' ARG . . . . . 0.509 ' HB2' ' HB3' ' A' ' 28' ' ' TYR . 30.4 ptt180 -72.99 139.82 46.93 Favored 'General case' 0 C--N 1.322 -0.6 0 CA-C-O 121.038 0.447 . . . . 0.0 111.834 -176.455 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 37' ' ' VAL . . . . . 0.461 ' O ' ' HA ' ' A' ' 28' ' ' TYR . 70.9 t -110.16 133.9 54.04 Favored 'Isoleucine or valine' 0 C--N 1.316 -0.85 0 C-N-CA 124.298 1.039 . . . . 0.0 108.48 -174.946 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 2.6 tm? -70.29 110.81 5.46 Favored 'General case' 0 C--N 1.312 -1.044 0 N-CA-C 109.064 -0.717 . . . . 0.0 109.064 -178.595 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 99.2 mt -90.74 -61.76 1.6 Allowed 'General case' 0 C--N 1.328 -0.351 0 C-N-CA 120.744 -0.382 . . . . 0.0 111.681 179.388 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 40' ' ' MET . . . . . . . . . . . . . 33.9 ttp -167.77 150.38 5.79 Favored 'General case' 0 N--CA 1.448 -0.551 0 N-CA-C 111.975 0.361 . . . . 0.0 111.975 -176.695 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 41' ' ' TYR . . . . . . . . . . . . . 58.5 m-85 -93.89 125.77 38.7 Favored 'General case' 0 C--O 1.237 0.428 0 C-N-CA 124.097 0.959 . . . . 0.0 108.63 175.919 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 49.0 t -120.42 126.46 75.28 Favored 'Isoleucine or valine' 0 C--N 1.312 -1.037 0 N-CA-C 109.856 -0.424 . . . . 0.0 109.856 179.095 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 43' ' ' ARG . . . . . 0.417 ' O ' ' HB3' ' A' ' 46' ' ' ASN . 41.1 mmm-85 -64.58 145.33 56.32 Favored 'General case' 0 C--N 1.308 -1.228 0 N-CA-C 113.216 0.821 . . . . 0.0 113.216 176.457 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 44' ' ' ILE . . . . . 0.631 HG12 ' C ' ' A' ' 23' ' ' ARG . 36.3 mm -68.16 133.65 31.38 Favored 'Isoleucine or valine' 0 C--N 1.304 -1.401 0 CA-C-N 114.572 -1.195 . . . . 0.0 108.421 175.897 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . 95.28 1.98 62.31 Favored Glycine 0 C--N 1.3 -1.447 0 N-CA-C 109.829 -1.308 . . . . 0.0 109.829 179.192 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 46' ' ' ASN . . . . . 0.417 ' HB3' ' O ' ' A' ' 43' ' ' ARG . 51.6 t30 -119.75 161.73 20.25 Favored 'General case' 0 N--CA 1.435 -1.193 0 CA-C-N 114.572 -0.814 . . . . 0.0 109.886 -176.151 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 19.3 p -115.35 157.79 23.35 Favored 'General case' 0 C--N 1.286 -2.154 0 N-CA-C 107.595 -1.261 . . . . 0.0 107.595 178.199 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -160.49 137.57 9.17 Favored 'General case' 0 C--N 1.306 -1.293 0 N-CA-C 114.063 1.135 . . . . 0.0 114.063 -179.964 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 2.6 m -77.04 108.38 10.07 Favored 'General case' 0 C--N 1.306 -1.298 0 C-N-CA 125.747 1.619 . . . . 0.0 109.843 175.366 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 50' ' ' ILE . . . . . . . . . . . . . 10.8 mm -101.28 112.67 35.02 Favored 'Isoleucine or valine' 0 C--N 1.315 -0.905 0 N-CA-C 107.85 -1.167 . . . . 0.0 107.85 178.639 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 94.8 m -92.71 123.69 36.17 Favored 'General case' 0 C--N 1.298 -1.665 0 C-N-CA 118.187 -1.405 . . . . 0.0 108.448 175.705 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -145.87 123.9 12.1 Favored 'General case' 0 C--N 1.311 -1.071 0 N-CA-C 107.836 -1.172 . . . . 0.0 107.836 178.36 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 53' ' ' ARG . . . . . 0.408 HH12 ' CG ' ' A' ' 29' ' ' ASP . 80.7 mtt85 62.74 26.23 15.52 Favored 'General case' 0 N--CA 1.474 0.773 0 CA-C-O 122.178 0.99 . . . . 0.0 110.246 -177.6 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . 82.88 3.39 90.51 Favored Glycine 0 N--CA 1.443 -0.872 0 CA-C-N 114.433 -1.258 . . . . 0.0 113.235 -179.933 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 55' ' ' HIS . . . . . . . . . . . . . 85.4 m-70 -104.62 127.88 52.49 Favored 'General case' 0 C--N 1.321 -0.67 0 N-CA-C 108.861 -0.792 . . . . 0.0 108.861 179.801 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 14.8 mp0 -85.17 123.36 30.59 Favored 'General case' 0 C--N 1.312 -1.037 0 N-CA-C 109.544 -0.539 . . . . 0.0 109.544 172.515 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 57' ' ' PHE . . . . . 0.532 ' HB3' HD11 ' A' ' 70' ' ' LEU . 97.6 m-85 -109.36 104.84 14.02 Favored 'General case' 0 N--CA 1.421 -1.92 0 N-CA-C 105.011 -2.218 . . . . 0.0 105.011 175.453 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 19.2 tp10 -84.27 110.57 18.66 Favored 'General case' 0 N--CA 1.431 -1.38 0 N-CA-C 103.846 -2.65 . . . . 0.0 103.846 178.432 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 59' ' ' VAL . . . . . 0.558 HG12 HD13 ' A' ' 70' ' ' LEU . 35.4 m -99.87 165.06 2.5 Favored 'Isoleucine or valine' 0 C--N 1.291 -1.952 0 CA-C-N 115.678 -0.692 . . . . 0.0 110.399 -176.642 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 41.0 tt0 -126.26 99.75 6.0 Favored 'General case' 0 N--CA 1.411 -2.377 0 N-CA-C 104.961 -2.237 . . . . 0.0 104.961 178.318 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -83.66 87.93 7.05 Favored 'General case' 0 CA--C 1.501 -0.942 0 N-CA-C 106.46 -1.681 . . . . 0.0 106.46 179.5 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 17.8 ptmt -96.06 -25.56 15.85 Favored 'General case' 0 C--N 1.301 -1.515 0 N-CA-C 115.457 1.651 . . . . 0.0 115.457 -176.219 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 21.8 t70 -134.95 137.33 42.99 Favored 'General case' 0 N--CA 1.437 -1.111 0 C-N-CA 119.338 -0.945 . . . . 0.0 109.154 -177.367 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 64' ' ' GLN . . . . . 0.436 ' HB3' HG13 ' A' ' 44' ' ' ILE 0.338 15.5 pt20 -74.36 14.65 0.42 Allowed 'General case' 0 C--N 1.319 -0.74 0 N-CA-C 116.694 2.109 . . . . 0.0 116.694 -177.32 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 65' ' ' ASN . . . . . . . . . . . . . 10.2 m120 -88.75 -11.25 45.57 Favored 'General case' 0 C--N 1.325 -0.463 0 CA-C-O 122.524 1.154 . . . . 0.0 107.905 167.968 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 66' ' ' CYS . . . . . . . . . . . . 0.291 83.7 m 58.83 55.77 4.44 Favored 'General case' 0 N--CA 1.44 -0.964 0 N-CA-C 118.602 2.815 . . . . 0.0 118.602 170.394 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 4.7 mptp? -79.41 155.19 28.48 Favored 'General case' 0 N--CA 1.431 -1.414 0 N-CA-C 107.606 -1.257 . . . . 0.0 107.606 164.919 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 68' ' ' VAL . . . . . . . . . . . . . 7.6 p -85.24 109.49 18.25 Favored 'Isoleucine or valine' 0 C--N 1.286 -2.164 0 C-N-CA 118.691 -1.204 . . . . 0.0 109.946 179.095 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 69' ' ' ILE . . . . . . . . . . . . . 98.5 mt -119.66 128.73 75.9 Favored 'Isoleucine or valine' 0 C--N 1.309 -1.184 0 N-CA-C 106.692 -1.595 . . . . 0.0 106.692 -179.455 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 70' ' ' LEU . . . . . 0.727 HD21 ' HB2' ' A' ' 76' ' ' ALA . 3.7 mm? -95.93 154.98 16.95 Favored 'General case' 0 C--N 1.297 -1.706 0 CA-C-N 116.079 -0.51 . . . . 0.0 110.734 -177.428 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 71' ' ' THR . . . . . . . . . . . . . 41.1 p -65.72 -27.4 68.29 Favored 'General case' 0 C--N 1.296 -1.726 0 CA-C-N 114.556 -1.202 . . . . 0.0 110.865 176.841 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 72' ' ' ASN . . . . . 0.63 ' HB2' ' HG2' ' A' ' 74' ' ' LYS . 43.4 m-80 -91.37 -3.73 56.44 Favored 'General case' 0 C--N 1.316 -0.852 0 CA-C-N 115.267 -0.879 . . . . 0.0 109.175 -179.075 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 73' ' ' GLY . . . . . . . . . . . . . . . 72.67 29.96 64.75 Favored Glycine 0 CA--C 1.499 -0.924 0 CA-C-N 114.704 -1.135 . . . . 0.0 110.891 177.962 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 74' ' ' LYS . . . . . 0.63 ' HG2' ' HB2' ' A' ' 72' ' ' ASN . 30.0 mmmt -75.66 154.07 36.79 Favored 'General case' 0 N--CA 1.426 -1.633 0 CA-C-N 114.055 -1.072 . . . . 0.0 112.737 -174.236 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 75' ' ' GLN . . . . . . . . . . . . . 33.7 tt0 -78.79 104.9 9.73 Favored 'General case' 0 C--N 1.3 -1.569 0 N-CA-C 105.025 -2.213 . . . . 0.0 105.025 172.203 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 76' ' ' ALA . . . . . 0.727 ' HB2' HD21 ' A' ' 70' ' ' LEU . . . -79.91 141.61 55.22 Favored Pre-proline 0 N--CA 1.434 -1.237 0 C-N-CA 119.405 -0.918 . . . . 0.0 109.977 -178.228 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 77' ' ' PRO . . . . . . . . . . . . . 75.3 Cg_exo -49.07 152.14 5.24 Favored 'Trans proline' 0 N--CA 1.461 -0.414 0 C-N-CA 123.703 2.935 . . . . 0.0 112.908 176.048 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 78' ' ' ASP . . . . . . . . . . . . . 7.3 p-10 -66.21 -13.3 60.08 Favored 'General case' 0 C--N 1.319 -0.732 0 CA-C-N 115.686 -0.688 . . . . 0.0 112.066 -178.371 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 79' ' ' TRP . . . . . . . . . . . . . 62.0 p-90 -90.44 -8.1 51.4 Favored 'General case' 0 N--CA 1.445 -0.676 0 CA-C-O 120.98 0.419 . . . . 0.0 111.218 176.541 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 80' ' ' LEU . . . . . 0.596 HD23 ' HB1' ' A' ' 76' ' ' ALA . 20.2 tp -88.69 104.87 17.28 Favored 'General case' 0 N--CA 1.425 -1.709 0 C-N-CA 119.101 -1.04 . . . . 0.0 108.343 -177.727 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 81' ' ' ALA . . . . . 0.438 ' HB3' ' HB2' ' A' ' 28' ' ' TYR . . . -108.72 162.14 14.45 Favored 'General case' 0 CA--C 1.496 -1.099 0 CA-C-N 115.721 -0.672 . . . . 0.0 111.118 -177.141 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 82' ' ' ALA . . . . . 0.608 ' HA ' ' O ' ' A' ' 26' ' ' VAL . . . -152.14 140.64 20.67 Favored 'General case' 0 C--N 1.302 -1.459 0 CA-C-N 114.183 -1.371 . . . . 0.0 108.36 175.601 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 18.6 pt-20 -143.26 150.52 52.24 Favored Pre-proline 0 C--N 1.31 -1.124 0 N-CA-C 106.096 -1.816 . . . . 0.0 106.096 175.055 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 84' ' ' PRO . . . . . 0.681 ' HA ' ' O ' ' A' ' 24' ' ' SER . 95.6 Cg_endo -73.34 122.57 8.07 Favored 'Trans proline' 0 N--CA 1.445 -1.373 0 C-N-CA 121.079 1.186 . . . . 0.0 109.11 171.869 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 85' ' ' TYR . . . . . 0.615 ' CD1' ' HB2' ' A' ' 24' ' ' SER . 0.8 OUTLIER . . . . . 0 C--O 1.253 1.266 0 C-N-CA 125.886 1.674 . . . . 0.0 115.434 -171.015 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 23.3 t . . . . . 0 C--O 1.238 0.45 0 N-CA-C 108.659 -0.867 . . . . 0.0 108.659 . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . -107.01 89.3 0.58 Allowed Glycine 0 CA--C 1.492 -1.352 0 N-CA-C 109.317 -1.513 . . . . 0.0 109.317 179.615 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 54.0 ttt180 -142.73 102.4 4.03 Favored 'General case' 0 N--CA 1.415 -2.195 0 CA-C-O 121.228 0.537 . . . . 0.0 109.907 -177.934 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 8.3 mp0 -117.06 126.32 52.67 Favored 'General case' 0 C--N 1.304 -1.396 0 N-CA-C 106.319 -1.734 . . . . 0.0 106.319 176.08 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 11' ' ' ASN . . . . . . . . . . . . . 40.4 t-20 -85.01 101.43 12.38 Favored 'General case' 0 C--N 1.313 -1.0 0 CA-C-O 121.735 0.779 . . . . 0.0 109.977 -178.222 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 88.7 mt -128.8 -179.51 5.12 Favored 'General case' 0 C--N 1.308 -1.218 0 CA-C-N 114.673 -1.148 . . . . 0.0 108.679 -179.114 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 13' ' ' TYR . . . . . . . . . . . . . 66.1 m-85 -68.08 121.53 16.34 Favored 'General case' 0 C--N 1.305 -1.365 0 N-CA-C 113.15 0.796 . . . . 0.0 113.15 -176.918 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 14' ' ' PHE . . . . . . . . . . . . . 44.1 m-85 -80.38 89.4 5.56 Favored 'General case' 0 N--CA 1.438 -1.068 0 N-CA-C 105.405 -2.072 . . . . 0.0 105.405 168.734 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 15' ' ' GLN . . . . . 0.45 ' H ' ' HG3' ' A' ' 33' ' ' PRO . 46.7 mt-30 -73.27 92.54 1.79 Allowed 'General case' 0 C--N 1.308 -1.197 0 CA-C-N 114.054 -1.43 . . . . 0.0 109.397 -178.073 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . -75.91 100.94 1.39 Allowed Glycine 0 N--CA 1.42 -2.39 0 CA-C-N 113.498 -1.683 . . . . 0.0 110.27 179.077 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 17' ' ' HIS . . . . . . . . . . . . . 73.4 m-70 -71.49 131.09 42.8 Favored 'General case' 0 C--N 1.309 -1.162 0 N-CA-C 104.607 -2.368 . . . . 0.0 104.607 173.715 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 18' ' ' MET . . . . . . . . . . . . . 89.0 mtp -56.1 126.38 25.76 Favored 'General case' 0 CA--C 1.499 -0.983 0 CA-C-O 122.573 1.177 . . . . 0.0 113.986 -175.288 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -133.15 142.81 48.85 Favored 'General case' 0 C--N 1.293 -1.848 0 CA-C-N 112.113 -2.312 . . . . 0.0 105.317 -179.871 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -90.48 148.58 39.14 Favored Pre-proline 0 C--N 1.296 -1.721 0 CA-C-O 119.406 -0.331 . . . . 0.0 110.253 -175.759 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 21' ' ' PRO . . . . . . . . . . . . . 51.6 Cg_exo -59.46 96.04 0.09 OUTLIER 'Trans proline' 0 C--N 1.352 0.761 0 C-N-CA 122.477 2.118 . . . . 0.0 108.896 171.988 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -107.07 20.81 18.49 Favored 'General case' 0 C--N 1.311 -1.105 0 CA-C-N 114.615 -1.175 . . . . 0.0 113.532 -171.475 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 23' ' ' ARG . . . . . 0.565 ' C ' HG12 ' A' ' 44' ' ' ILE . 53.2 mtt180 64.2 24.34 13.37 Favored 'General case' 0 C--N 1.304 -1.378 0 N-CA-C 114.471 1.286 . . . . 0.0 114.471 179.775 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 24' ' ' SER . . . . . 0.697 ' O ' ' HA ' ' A' ' 84' ' ' PRO . 75.0 m -148.49 143.55 26.78 Favored 'General case' 0 C--N 1.317 -0.837 0 O-C-N 121.776 -0.577 . . . . 0.0 110.69 174.534 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 25' ' ' CYS . . . . . . . . . . . . . 55.9 m -107.81 131.23 54.69 Favored 'General case' 0 CA--C 1.501 -0.909 0 N-CA-C 106.705 -1.591 . . . . 0.0 106.705 175.416 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 26' ' ' VAL . . . . . 0.564 ' O ' ' HA ' ' A' ' 82' ' ' ALA . 6.7 t -115.05 114.11 45.55 Favored 'Isoleucine or valine' 0 C--N 1.286 -2.173 0 N-CA-C 106.73 -1.582 . . . . 0.0 106.73 -174.264 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 27' ' ' TYR . . . . . . . . . . . . . 19.2 m-85 -88.84 129.82 35.51 Favored 'General case' 0 C--N 1.309 -1.174 0 O-C-N 123.924 0.765 . . . . 0.0 112.162 -173.22 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 28' ' ' TYR . . . . . 0.542 ' HA ' ' O ' ' A' ' 37' ' ' VAL . 97.6 m-85 -127.46 138.31 52.92 Favored 'General case' 0 N--CA 1.418 -2.07 0 CA-C-N 114.325 -1.307 . . . . 0.0 110.56 -178.493 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 29' ' ' ASP . . . . . 0.478 ' HB3' ' HB ' ' A' ' 37' ' ' VAL . 2.2 t70 -92.24 102.66 15.17 Favored 'General case' 0 C--N 1.301 -1.502 0 N-CA-C 106.454 -1.684 . . . . 0.0 106.454 173.25 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . -172.81 137.78 4.37 Favored Glycine 0 CA--C 1.48 -2.138 0 C-N-CA 119.052 -1.547 . . . . 0.0 112.83 177.884 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 31' ' ' HIS . . . . . . . . . . . . . 6.8 t-80 -95.51 -6.05 41.44 Favored 'General case' 0 C--N 1.298 -1.632 0 N-CA-C 107.475 -1.306 . . . . 0.0 107.475 176.358 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 2.7 mm? -125.32 151.29 69.55 Favored Pre-proline 0 N--CA 1.438 -1.053 0 N-CA-C 107.247 -1.39 . . . . 0.0 107.247 176.927 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 33' ' ' PRO . . . . . 0.45 ' HG3' ' H ' ' A' ' 15' ' ' GLN . 74.5 Cg_endo -74.02 -6.6 18.76 Favored 'Trans proline' 0 CA--C 1.538 0.712 0 C-N-CA 122.853 2.369 . . . . 0.0 112.0 177.625 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -97.37 -51.65 4.09 Favored 'General case' 0 C--N 1.322 -0.593 0 N-CA-C 112.427 0.529 . . . . 0.0 112.427 -178.938 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 33.9 p -90.43 19.33 5.31 Favored 'General case' 0 C--O 1.241 0.642 0 CA-C-O 121.786 0.803 . . . . 0.0 112.423 -172.717 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 36' ' ' ARG . . . . . 0.533 ' HB2' ' HB3' ' A' ' 28' ' ' TYR . 32.4 ptt180 -71.2 149.73 46.01 Favored 'General case' 0 C--N 1.31 -1.127 0 CA-C-N 115.063 -0.971 . . . . 0.0 110.234 -179.65 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 37' ' ' VAL . . . . . 0.542 ' O ' ' HA ' ' A' ' 28' ' ' TYR . 58.3 t -121.29 129.85 75.22 Favored 'Isoleucine or valine' 0 C--N 1.311 -1.067 0 N-CA-C 108.405 -0.961 . . . . 0.0 108.405 -174.886 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 3.4 tm? -69.01 114.61 7.46 Favored 'General case' 0 C--N 1.319 -0.724 0 N-CA-C 108.714 -0.847 . . . . 0.0 108.714 177.729 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 86.3 mt -90.81 -61.54 1.65 Allowed 'General case' 0 C--N 1.315 -0.892 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.806 179.092 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 40' ' ' MET . . . . . . . . . . . . . 22.9 ttp -164.83 155.11 13.98 Favored 'General case' 0 N--CA 1.441 -0.883 0 CA-C-N 116.192 -0.458 . . . . 0.0 109.803 -177.287 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 41' ' ' TYR . . . . . . . . . . . . . 87.7 m-85 -96.28 138.27 34.12 Favored 'General case' 0 C--N 1.318 -0.795 0 C-N-CA 123.533 0.733 . . . . 0.0 109.352 176.159 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 51.1 t -126.52 145.04 34.72 Favored 'Isoleucine or valine' 0 C--N 1.313 -1.007 0 N-CA-C 107.477 -1.305 . . . . 0.0 107.477 177.841 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 43' ' ' ARG . . . . . 0.423 ' HD3' ' OG ' ' A' ' 24' ' ' SER . 2.7 tpp180 -93.29 135.64 34.32 Favored 'General case' 0 C--N 1.301 -1.53 0 N-CA-C 107.041 -1.466 . . . . 0.0 107.041 -179.605 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 44' ' ' ILE . . . . . 0.565 HG12 ' C ' ' A' ' 23' ' ' ARG . 21.9 mm -59.94 120.38 5.66 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.107 0 CA-C-O 121.571 0.701 . . . . 0.0 110.031 179.134 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . 113.08 -17.34 22.21 Favored Glycine 0 C--N 1.297 -1.594 0 CA-C-N 114.817 -1.083 . . . . 0.0 110.425 177.021 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 46' ' ' ASN . . . . . . . . . . . . . 63.5 t30 -102.83 162.61 12.79 Favored 'General case' 0 C--N 1.303 -1.425 0 CA-C-O 121.672 0.749 . . . . 0.0 109.781 -176.272 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 47' ' ' THR . . . . . 0.432 ' HA ' ' HA ' ' A' ' 60' ' ' GLU . 17.8 p -101.53 154.72 18.59 Favored 'General case' 0 C--N 1.289 -2.048 0 CA-C-N 114.595 -1.184 . . . . 0.0 109.526 178.702 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -148.54 146.64 28.39 Favored 'General case' 0 C--N 1.295 -1.801 0 CA-C-N 115.499 -0.773 . . . . 0.0 111.509 177.619 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 7.1 m -108.23 110.51 22.15 Favored 'General case' 0 C--N 1.303 -1.424 0 N-CA-C 107.192 -1.41 . . . . 0.0 107.192 178.208 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 50' ' ' ILE . . . . . . . . . . . . . 17.7 mm -96.81 109.15 22.53 Favored 'Isoleucine or valine' 0 C--O 1.209 -1.072 0 N-CA-C 107.527 -1.286 . . . . 0.0 107.527 179.774 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 13.7 m -92.37 124.65 36.58 Favored 'General case' 0 C--N 1.287 -2.109 0 N-CA-C 106.832 -1.544 . . . . 0.0 106.832 174.389 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -148.96 121.87 8.76 Favored 'General case' 0 C--N 1.307 -1.266 0 N-CA-C 107.37 -1.344 . . . . 0.0 107.37 177.941 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 53' ' ' ARG . . . . . . . . . . . . . 74.8 mtt85 66.8 22.54 10.26 Favored 'General case' 0 C--N 1.327 -0.393 0 C-N-CA 124.748 1.219 . . . . 0.0 110.757 178.828 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . 83.8 9.08 83.45 Favored Glycine 0 C--N 1.312 -0.758 0 CA-C-N 114.95 -1.023 . . . . 0.0 112.336 -178.089 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 55' ' ' HIS . . . . . . . . . . . . . 87.4 m-70 -108.88 130.94 55.43 Favored 'General case' 0 C--N 1.319 -0.73 0 N-CA-C 107.382 -1.34 . . . . 0.0 107.382 177.859 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 9.4 mp0 -98.18 117.05 31.69 Favored 'General case' 0 N--CA 1.434 -1.26 0 N-CA-C 108.997 -0.742 . . . . 0.0 108.997 176.292 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 57' ' ' PHE . . . . . . . . . . . . . 84.7 m-85 -98.35 98.12 9.4 Favored 'General case' 0 N--CA 1.413 -2.304 0 N-CA-C 103.431 -2.803 . . . . 0.0 103.431 175.972 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 58' ' ' GLU . . . . . 0.436 ' HB3' HD21 ' A' ' 72' ' ' ASN . 28.5 tt0 -92.45 110.37 21.77 Favored 'General case' 0 C--N 1.299 -1.597 0 N-CA-C 105.819 -1.919 . . . . 0.0 105.819 -177.909 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 59' ' ' VAL . . . . . 0.673 HG12 HD13 ' A' ' 70' ' ' LEU . 35.4 m -109.77 167.97 4.21 Favored 'Isoleucine or valine' 0 C--N 1.293 -1.867 0 CA-C-N 114.348 -1.296 . . . . 0.0 109.862 -174.852 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 60' ' ' GLU . . . . . 0.432 ' HA ' ' HA ' ' A' ' 47' ' ' THR . 37.6 tt0 -132.25 124.0 28.06 Favored 'General case' 0 C--N 1.286 -2.152 0 N-CA-C 103.247 -2.871 . . . . 0.0 103.247 169.555 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -76.92 89.58 3.51 Favored 'General case' 0 C--N 1.304 -1.409 0 N-CA-C 107.036 -1.468 . . . . 0.0 107.036 177.515 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 29.7 mmmt -68.05 -54.88 15.05 Favored 'General case' 0 C--N 1.318 -0.788 0 CA-C-N 114.237 -1.347 . . . . 0.0 111.212 -174.644 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 28.2 t70 -135.66 161.15 36.35 Favored 'General case' 0 C--N 1.308 -1.227 0 CA-C-N 114.94 -1.027 . . . . 0.0 109.284 -173.643 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 64' ' ' GLN . . . . . 0.414 ' HG2' HG13 ' A' ' 44' ' ' ILE . 23.2 mt-30 -78.68 3.15 17.23 Favored 'General case' 0 N--CA 1.446 -0.639 0 N-CA-C 113.191 0.812 . . . . 0.0 113.191 -173.453 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 65' ' ' ASN . . . . . . . . . . . . . 5.6 m-20 -73.07 -23.8 60.6 Favored 'General case' 0 CA--C 1.515 -0.403 0 N-CA-C 108.306 -0.998 . . . . 0.0 108.306 170.196 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 66' ' ' CYS . . . . . 0.472 ' O ' ' HB3' ' A' ' 82' ' ' ALA . 88.9 m 64.79 35.24 8.81 Favored 'General case' 0 CA--C 1.513 -0.476 0 N-CA-C 114.727 1.38 . . . . 0.0 114.727 176.269 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 67' ' ' LYS . . . . . 0.522 ' HA ' ' HE3' ' A' ' 67' ' ' LYS . 0.1 OUTLIER -64.8 133.8 52.75 Favored 'General case' 0 N--CA 1.422 -1.867 0 N-CA-C 105.659 -1.978 . . . . 0.0 105.659 171.015 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 68' ' ' VAL . . . . . 0.411 HG21 HD23 ' A' ' 80' ' ' LEU . 5.9 p -72.34 99.74 0.95 Allowed 'Isoleucine or valine' 0 C--N 1.303 -1.431 0 CA-C-O 122.48 1.133 . . . . 0.0 110.605 -179.451 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 69' ' ' ILE . . . . . . . . . . . . . 99.0 mt -115.39 118.9 60.27 Favored 'Isoleucine or valine' 0 N--CA 1.43 -1.439 0 N-CA-C 106.882 -1.525 . . . . 0.0 106.882 -179.477 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 70' ' ' LEU . . . . . 0.788 HD21 ' HB2' ' A' ' 76' ' ' ALA . 2.8 mm? -81.88 140.75 33.92 Favored 'General case' 0 N--CA 1.416 -2.154 0 CA-C-N 114.574 -1.193 . . . . 0.0 109.48 -178.556 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 71' ' ' THR . . . . . . . . . . . . . 13.1 t -83.27 -2.9 56.76 Favored 'General case' 0 C--N 1.279 -2.484 0 CA-C-N 113.351 -1.75 . . . . 0.0 109.297 -175.531 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 72' ' ' ASN . . . . . 0.436 HD21 ' HB3' ' A' ' 58' ' ' GLU . 55.2 m-80 -90.37 -11.67 39.91 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 114.887 -1.051 . . . . 0.0 109.744 177.264 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 73' ' ' GLY . . . . . . . . . . . . . . . 91.89 31.14 9.51 Favored Glycine 0 CA--C 1.504 -0.639 0 N-CA-C 110.161 -1.176 . . . . 0.0 110.161 -179.336 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 71.7 mmtt -111.11 166.19 11.27 Favored 'General case' 0 N--CA 1.434 -1.255 0 CA-C-N 114.159 -1.021 . . . . 0.0 109.492 -177.252 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 75' ' ' GLN . . . . . . . . . . . . . 34.2 tt0 -112.35 137.14 50.92 Favored 'General case' 0 C--N 1.299 -1.594 0 N-CA-C 104.997 -2.223 . . . . 0.0 104.997 169.542 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 76' ' ' ALA . . . . . 0.788 ' HB2' HD21 ' A' ' 70' ' ' LEU . . . -93.89 163.42 23.94 Favored Pre-proline 0 C--N 1.307 -1.277 0 N-CA-C 109.935 -0.395 . . . . 0.0 109.935 -177.81 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 77' ' ' PRO . . . . . . . . . . . . . 8.9 Cg_endo -52.66 152.1 17.55 Favored 'Trans proline' 0 C--N 1.353 0.775 0 C-N-CA 123.578 2.852 . . . . 0.0 112.274 174.445 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 78' ' ' ASP . . . . . . . . . . . . . 22.0 t0 -70.12 -12.65 61.75 Favored 'General case' 0 C--N 1.309 -1.185 0 C-N-CA 124.646 1.178 . . . . 0.0 111.615 -174.589 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 79' ' ' TRP . . . . . . . . . . . . . 54.8 p-90 -91.63 -8.42 47.27 Favored 'General case' 0 C--O 1.227 -0.124 0 CA-C-N 115.951 -0.568 . . . . 0.0 111.346 177.396 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 80' ' ' LEU . . . . . 0.456 HD23 ' HB1' ' A' ' 76' ' ' ALA . 32.1 tp -88.81 111.44 22.03 Favored 'General case' 0 C--N 1.308 -1.205 0 N-CA-C 108.058 -1.089 . . . . 0.0 108.058 -178.932 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -117.07 164.25 15.03 Favored 'General case' 0 C--N 1.306 -1.305 0 CA-C-O 121.693 0.759 . . . . 0.0 111.318 -177.401 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 82' ' ' ALA . . . . . 0.564 ' HA ' ' O ' ' A' ' 26' ' ' VAL . . . -154.45 139.31 17.18 Favored 'General case' 0 C--N 1.298 -1.655 0 N-CA-C 106.671 -1.603 . . . . 0.0 106.671 174.883 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 7.7 pt-20 -140.92 154.14 68.19 Favored Pre-proline 0 C--N 1.301 -1.506 0 N-CA-C 106.197 -1.779 . . . . 0.0 106.197 178.404 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 84' ' ' PRO . . . . . 0.697 ' HA ' ' O ' ' A' ' 24' ' ' SER . 95.5 Cg_endo -69.94 139.36 39.41 Favored 'Trans proline' 0 N--CA 1.447 -1.215 0 C-N-CA 121.478 1.452 . . . . 0.0 109.626 175.858 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 85' ' ' TYR . . . . . 0.401 ' CB ' HG21 ' A' ' 26' ' ' VAL 0.262 0.7 OUTLIER . . . . . 0 C--N 1.318 -0.781 0 CA-C-O 117.958 -1.02 . . . . 0.0 113.594 -173.939 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 7.7 p . . . . . 0 C--O 1.236 0.391 0 N-CA-C 108.999 -0.741 . . . . 0.0 108.999 . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . -123.23 143.16 14.95 Favored Glycine 0 N--CA 1.431 -1.641 0 N-CA-C 111.247 -0.741 . . . . 0.0 111.247 -178.708 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 21.9 mtm180 -118.69 159.64 23.27 Favored 'General case' 0 C--N 1.3 -1.554 0 N-CA-C 108.006 -1.109 . . . . 0.0 108.006 177.429 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 15.8 mp0 -57.11 121.51 10.21 Favored 'General case' 0 C--N 1.307 -1.243 0 O-C-N 124.356 1.035 . . . . 0.0 110.616 -178.016 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 11' ' ' ASN . . . . . . . . . . . . . 46.6 t-20 -78.95 175.9 10.13 Favored 'General case' 0 C--N 1.311 -1.074 0 N-CA-C 107.03 -1.47 . . . . 0.0 107.03 -179.226 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 83.4 mt -68.26 153.45 43.72 Favored 'General case' 0 C--N 1.303 -1.442 0 CA-C-O 122.142 0.972 . . . . 0.0 111.326 -179.963 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 13' ' ' TYR . . . . . . . . . . . . . 94.8 m-85 -81.83 169.97 16.24 Favored 'General case' 0 C--N 1.288 -2.086 0 CA-C-N 112.935 -1.939 . . . . 0.0 110.534 -174.824 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 14' ' ' PHE . . . . . . . . . . . . . 96.9 m-85 -82.19 123.84 29.36 Favored 'General case' 0 C--N 1.306 -1.318 0 CA-C-O 121.634 0.731 . . . . 0.0 110.466 -176.245 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 3.1 pm0 -88.36 -179.0 6.02 Favored 'General case' 0 C--N 1.305 -1.332 0 CA-C-N 114.244 -1.343 . . . . 0.0 107.715 -179.665 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . -58.4 122.97 31.69 Favored Glycine 0 N--CA 1.445 -0.734 0 N-CA-C 109.902 -1.279 . . . . 0.0 109.902 174.174 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 17' ' ' HIS . . . . . . . . . . . . . 52.7 t-80 -73.75 157.65 36.08 Favored 'General case' 0 C--N 1.309 -1.154 0 N-CA-C 108.825 -0.806 . . . . 0.0 108.825 -176.821 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 18' ' ' MET . . . . . . . . . . . . . 2.1 tmt? -60.65 130.44 46.53 Favored 'General case' 0 C--N 1.313 -0.982 0 C-N-CA 122.88 0.472 . . . . 0.0 109.914 177.33 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -54.87 135.91 47.54 Favored 'General case' 0 CA--C 1.513 -0.478 0 C-N-CA 124.82 1.248 . . . . 0.0 111.14 -177.018 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -53.51 130.78 54.15 Favored Pre-proline 0 C--N 1.314 -0.972 0 O-C-N 124.505 1.128 . . . . 0.0 112.682 -175.442 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 21' ' ' PRO . . . . . 0.427 ' HG2' ' HB2' ' A' ' 64' ' ' GLN . 35.3 Cg_exo -62.63 150.02 89.21 Favored 'Trans proline' 0 C--O 1.243 0.751 0 C-N-CA 122.848 2.366 . . . . 0.0 111.217 175.742 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -75.51 25.7 0.11 Allowed 'General case' 0 N--CA 1.47 0.559 0 N-CA-C 115.048 1.499 . . . . 0.0 115.048 -176.063 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 23' ' ' ARG . . . . . 0.53 ' C ' HG12 ' A' ' 44' ' ' ILE . 78.2 mtt180 53.12 32.9 13.93 Favored 'General case' 0 C--N 1.312 -1.055 0 CA-C-O 121.746 0.784 . . . . 0.0 112.117 -178.701 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 24' ' ' SER . . . . . 0.653 ' O ' ' HA ' ' A' ' 84' ' ' PRO . 20.0 m -145.23 139.16 26.97 Favored 'General case' 0 N--CA 1.438 -1.043 0 CA-C-N 115.608 -0.724 . . . . 0.0 109.297 -177.436 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 25' ' ' CYS . . . . . 0.618 ' SG ' HD13 ' A' ' 44' ' ' ILE . 69.4 m -107.3 130.81 54.72 Favored 'General case' 0 CA--C 1.492 -1.275 0 N-CA-C 104.068 -2.567 . . . . 0.0 104.068 173.435 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 26' ' ' VAL . . . . . 0.564 HG21 ' HB2' ' A' ' 85' ' ' TYR . 2.9 t -114.47 121.49 66.69 Favored 'Isoleucine or valine' 0 C--N 1.282 -2.35 0 N-CA-C 106.483 -1.673 . . . . 0.0 106.483 -173.913 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 27' ' ' TYR . . . . . . . . . . . . . 14.9 m-85 -92.4 132.06 37.06 Favored 'General case' 0 C--N 1.302 -1.496 0 O-C-N 124.234 0.959 . . . . 0.0 110.67 -174.978 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 28' ' ' TYR . . . . . 0.654 ' HB3' ' HB2' ' A' ' 36' ' ' ARG . 97.8 m-85 -132.64 155.12 49.33 Favored 'General case' 0 N--CA 1.408 -2.539 0 CA-C-N 114.291 -1.322 . . . . 0.0 110.966 -177.708 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 29' ' ' ASP . . . . . 0.422 ' HB3' ' HB ' ' A' ' 37' ' ' VAL . 4.8 t70 -104.08 103.24 13.02 Favored 'General case' 0 C--N 1.295 -1.804 0 N-CA-C 105.68 -1.971 . . . . 0.0 105.68 173.703 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . -171.32 129.79 1.84 Allowed Glycine 0 CA--C 1.492 -1.346 0 C-N-CA 119.779 -1.2 . . . . 0.0 113.705 178.062 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 31' ' ' HIS . . . . . . . . . . . . . 0.3 OUTLIER -81.39 -12.89 58.82 Favored 'General case' 0 C--N 1.296 -1.747 0 CA-C-N 114.151 -1.025 . . . . 0.0 110.745 178.705 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 10.6 mp -131.14 152.11 80.06 Favored Pre-proline 0 C--N 1.32 -0.678 0 N-CA-C 106.362 -1.718 . . . . 0.0 106.362 174.96 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 33' ' ' PRO . . . . . 0.472 ' O ' ' HG3' ' A' ' 36' ' ' ARG . 31.6 Cg_endo -67.32 -18.19 49.97 Favored 'Trans proline' 0 CA--C 1.532 0.393 0 C-N-CA 122.02 1.814 . . . . 0.0 110.585 175.497 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -74.87 -49.49 20.27 Favored 'General case' 0 N--CA 1.447 -0.618 0 CA-C-N 115.642 -0.708 . . . . 0.0 110.826 179.122 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 7.6 p -93.21 20.95 6.38 Favored 'General case' 0 C--N 1.315 -0.93 0 N-CA-C 113.607 0.965 . . . . 0.0 113.607 -172.805 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 36' ' ' ARG . . . . . 0.654 ' HB2' ' HB3' ' A' ' 28' ' ' TYR 0.287 1.3 ppt_? -72.91 133.04 44.21 Favored 'General case' 0 N--CA 1.44 -0.954 0 N-CA-C 113.503 0.927 . . . . 0.0 113.503 179.497 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 37' ' ' VAL . . . . . 0.422 ' HB ' ' HB3' ' A' ' 29' ' ' ASP . 54.9 t -105.39 133.45 49.63 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.776 0 N-CA-C 108.111 -1.07 . . . . 0.0 108.111 -177.066 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 2.0 tm? -68.59 114.76 7.26 Favored 'General case' 0 C--N 1.315 -0.908 0 C-N-CA 123.404 0.682 . . . . 0.0 109.371 -178.005 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 96.1 mt -91.25 -59.99 2.01 Favored 'General case' 0 C--N 1.311 -1.099 0 CA-C-N 115.597 -0.729 . . . . 0.0 109.998 176.059 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 40' ' ' MET . . . . . . . . . . . . . 24.5 ptm -172.82 164.8 5.22 Favored 'General case' 0 N--CA 1.466 0.351 0 CA-C-N 115.368 -0.833 . . . . 0.0 111.506 -177.448 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 41' ' ' TYR . . . . . . . . . . . . . 39.2 m-85 -103.85 142.75 33.85 Favored 'General case' 0 C--N 1.309 -1.173 0 CA-C-N 114.781 -1.099 . . . . 0.0 110.161 177.957 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 33.3 t -128.75 130.11 68.62 Favored 'Isoleucine or valine' 0 C--N 1.307 -1.248 0 N-CA-C 106.387 -1.709 . . . . 0.0 106.387 174.439 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 23.2 tpp180 -74.37 134.27 42.47 Favored 'General case' 0 C--N 1.299 -1.606 0 N-CA-C 106.059 -1.83 . . . . 0.0 106.059 178.447 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 44' ' ' ILE . . . . . 0.618 HD13 ' SG ' ' A' ' 25' ' ' CYS . 14.8 mm -49.83 120.93 1.15 Allowed 'Isoleucine or valine' 0 N--CA 1.493 1.683 0 CA-C-O 121.091 0.472 . . . . 0.0 110.314 178.702 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . 113.42 -7.86 24.56 Favored Glycine 0 C--N 1.307 -1.067 0 CA-C-N 115.361 -0.836 . . . . 0.0 111.698 175.391 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 46' ' ' ASN . . . . . . . . . . . . . 59.6 t30 -110.93 163.49 13.76 Favored 'General case' 0 C--N 1.307 -1.241 0 CA-C-O 121.974 0.892 . . . . 0.0 111.822 -176.312 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 11.1 p -100.78 159.86 14.84 Favored 'General case' 0 C--N 1.294 -1.816 0 CA-C-N 114.398 -1.274 . . . . 0.0 109.246 177.953 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -155.91 151.82 27.52 Favored 'General case' 0 C--N 1.301 -1.524 0 CA-C-N 115.77 -0.65 . . . . 0.0 111.766 179.512 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 11.0 m -106.6 109.24 21.1 Favored 'General case' 0 C--N 1.304 -1.399 0 N-CA-C 106.988 -1.486 . . . . 0.0 106.988 175.429 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 50' ' ' ILE . . . . . 0.426 ' O ' ' HA ' ' A' ' 56' ' ' GLU . 12.2 mm -96.04 117.74 40.89 Favored 'Isoleucine or valine' 0 C--N 1.312 -1.034 0 N-CA-C 108.636 -0.876 . . . . 0.0 108.636 -174.359 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 33.0 m -97.12 123.62 40.93 Favored 'General case' 0 C--N 1.291 -1.978 0 N-CA-C 106.861 -1.533 . . . . 0.0 106.861 172.812 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -150.46 126.61 10.59 Favored 'General case' 0 C--N 1.31 -1.121 0 N-CA-C 108.769 -0.826 . . . . 0.0 108.769 179.502 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 53' ' ' ARG . . . . . . . . . . . . . 82.2 mtt180 59.06 30.62 20.47 Favored 'General case' 0 C--N 1.322 -0.587 0 C-N-CA 125.138 1.375 . . . . 0.0 112.035 178.205 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . 76.09 31.84 54.21 Favored Glycine 0 N--CA 1.437 -1.238 0 CA-C-N 114.82 -1.082 . . . . 0.0 111.792 -179.858 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 55' ' ' HIS . . . . . . . . . . . . . 67.2 m-70 -133.96 130.23 37.37 Favored 'General case' 0 C--N 1.314 -0.976 0 N-CA-C 108.738 -0.838 . . . . 0.0 108.738 174.225 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 56' ' ' GLU . . . . . 0.426 ' HA ' ' O ' ' A' ' 50' ' ' ILE . 3.4 mp0 -95.1 124.16 38.99 Favored 'General case' 0 N--CA 1.441 -0.882 0 N-CA-C 108.766 -0.828 . . . . 0.0 108.766 171.399 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 57' ' ' PHE . . . . . 0.532 ' HB3' HD11 ' A' ' 70' ' ' LEU . 93.4 m-85 -114.39 117.83 32.13 Favored 'General case' 0 N--CA 1.435 -1.196 0 N-CA-C 107.459 -1.311 . . . . 0.0 107.459 179.801 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 39.1 tt0 -95.16 121.26 36.61 Favored 'General case' 0 C--N 1.305 -1.366 0 N-CA-C 106.4 -1.704 . . . . 0.0 106.4 177.721 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 59' ' ' VAL . . . . . 0.569 HG12 HD13 ' A' ' 70' ' ' LEU . 18.9 m -122.66 171.2 11.95 Favored 'Isoleucine or valine' 0 C--N 1.294 -1.809 0 C-N-CA 124.424 1.09 . . . . 0.0 110.046 -175.085 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 39.4 tt0 -131.11 112.35 12.79 Favored 'General case' 0 C--N 1.292 -1.893 0 N-CA-C 105.674 -1.973 . . . . 0.0 105.674 175.543 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 61' ' ' ALA . . . . . 0.404 ' HB1' ' SG ' ' A' ' 25' ' ' CYS . . . -79.33 89.3 4.95 Favored 'General case' 0 C--N 1.315 -0.902 0 N-CA-C 105.838 -1.912 . . . . 0.0 105.838 177.781 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 62' ' ' LYS . . . . . 0.432 ' HG3' ' N ' ' A' ' 63' ' ' ASP . 53.1 pttt -65.91 -55.77 15.2 Favored 'General case' 0 C--N 1.307 -1.275 0 N-CA-C 114.382 1.253 . . . . 0.0 114.382 -173.498 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 63' ' ' ASP . . . . . 0.432 ' N ' ' HG3' ' A' ' 62' ' ' LYS . 3.4 p30 -150.85 -179.7 7.5 Favored 'General case' 0 C--N 1.305 -1.339 0 N-CA-C 109.06 -0.718 . . . . 0.0 109.06 -173.184 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 64' ' ' GLN . . . . . 0.427 ' HB2' ' HG2' ' A' ' 21' ' ' PRO . 2.9 pp0? -63.43 -7.18 6.03 Favored 'General case' 0 C--N 1.318 -0.777 0 N-CA-C 116.142 1.904 . . . . 0.0 116.142 -177.074 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 65' ' ' ASN . . . . . . . . . . . . . 28.2 t-20 -74.05 -26.71 60.56 Favored 'General case' 0 C--N 1.321 -0.651 0 N-CA-C 108.153 -1.055 . . . . 0.0 108.153 172.052 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 66' ' ' CYS . . . . . 0.497 ' O ' ' HB3' ' A' ' 82' ' ' ALA . 93.3 m 52.63 41.95 31.42 Favored 'General case' 0 CA--C 1.519 -0.22 0 C-N-CA 124.78 1.232 . . . . 0.0 113.855 177.534 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 67' ' ' LYS . . . . . 0.594 ' HA ' ' HE3' ' A' ' 67' ' ' LYS . 0.0 OUTLIER -72.28 132.68 44.36 Favored 'General case' 0 N--CA 1.416 -2.17 0 N-CA-C 108.042 -1.096 . . . . 0.0 108.042 176.15 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 68' ' ' VAL . . . . . 0.409 HG21 HD23 ' A' ' 80' ' ' LEU . 3.3 p -69.36 99.68 0.56 Allowed 'Isoleucine or valine' 0 C--N 1.307 -1.263 0 CA-C-O 122.263 1.03 . . . . 0.0 109.541 177.163 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 69' ' ' ILE . . . . . . . . . . . . . 90.8 mt -117.34 119.35 61.55 Favored 'Isoleucine or valine' 0 C--N 1.302 -1.496 0 N-CA-C 107.286 -1.376 . . . . 0.0 107.286 178.076 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 70' ' ' LEU . . . . . 0.771 HD21 ' HB2' ' A' ' 76' ' ' ALA . 2.7 mm? -81.34 144.32 31.57 Favored 'General case' 0 CA--C 1.475 -1.922 0 CA-C-N 114.622 -1.172 . . . . 0.0 111.346 -177.678 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 71' ' ' THR . . . . . . . . . . . . . 69.2 p -72.53 -19.93 61.43 Favored 'General case' 0 C--N 1.285 -2.203 0 CA-C-N 112.358 -2.201 . . . . 0.0 109.305 179.221 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 72' ' ' ASN . . . . . 0.43 ' N ' HD22 ' A' ' 72' ' ' ASN . 0.7 OUTLIER -79.36 -5.54 54.8 Favored 'General case' 0 C--N 1.325 -0.5 0 CA-C-N 113.584 -1.644 . . . . 0.0 109.422 -175.803 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 73' ' ' GLY . . . . . . . . . . . . . . . 78.85 20.89 69.68 Favored Glycine 0 CA--C 1.501 -0.81 0 N-CA-C 108.769 -1.732 . . . . 0.0 108.769 178.25 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 44.2 mmtm -106.66 165.2 11.48 Favored 'General case' 0 N--CA 1.423 -1.782 0 CA-C-N 112.803 -1.699 . . . . 0.0 110.296 -174.688 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 75' ' ' GLN . . . . . . . . . . . . . 95.9 mt-30 -107.43 149.42 27.93 Favored 'General case' 0 C--N 1.295 -1.792 0 N-CA-C 107.025 -1.472 . . . . 0.0 107.025 172.841 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 76' ' ' ALA . . . . . 0.771 ' HB2' HD21 ' A' ' 70' ' ' LEU . . . -108.0 158.36 33.77 Favored Pre-proline 0 C--N 1.3 -1.55 0 N-CA-C 107.902 -1.147 . . . . 0.0 107.902 -179.052 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 77' ' ' PRO . . . . . . . . . . . . . 51.5 Cg_exo -56.82 154.03 34.14 Favored 'Trans proline' 0 C--N 1.346 0.425 0 C-N-CA 122.895 2.397 . . . . 0.0 112.874 177.123 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 78' ' ' ASP . . . . . . . . . . . . . 4.4 m-20 -57.64 -26.2 61.26 Favored 'General case' 0 N--CA 1.477 0.91 0 C-N-CA 124.279 1.031 . . . . 0.0 112.515 -176.679 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 79' ' ' TRP . . . . . . . . . . . . . 58.1 p-90 -76.25 -18.46 58.99 Favored 'General case' 0 N--CA 1.448 -0.526 0 CA-C-N 115.988 -0.551 . . . . 0.0 112.236 -179.79 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 80' ' ' LEU . . . . . 0.409 HD23 HG21 ' A' ' 68' ' ' VAL . 36.8 tp -80.72 111.15 16.9 Favored 'General case' 0 N--CA 1.431 -1.408 0 N-CA-C 106.967 -1.494 . . . . 0.0 106.967 -179.447 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -119.83 161.19 21.22 Favored 'General case' 0 C--N 1.303 -1.449 0 CA-C-N 115.089 -0.959 . . . . 0.0 111.553 -174.312 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 82' ' ' ALA . . . . . 0.527 ' HA ' ' O ' ' A' ' 26' ' ' VAL . . . -150.97 134.01 15.95 Favored 'General case' 0 C--N 1.3 -1.555 0 N-CA-C 107.112 -1.44 . . . . 0.0 107.112 174.39 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 8.8 pt-20 -146.91 143.09 17.86 Favored Pre-proline 0 N--CA 1.425 -1.688 0 N-CA-C 105.734 -1.95 . . . . 0.0 105.734 179.61 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 84' ' ' PRO . . . . . 0.653 ' HA ' ' O ' ' A' ' 24' ' ' SER . 14.8 Cg_exo -64.73 143.4 80.46 Favored 'Trans proline' 0 N--CA 1.45 -1.06 0 C-N-CA 122.882 2.388 . . . . 0.0 111.57 175.676 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 85' ' ' TYR . . . . . 0.564 ' HB2' HG21 ' A' ' 26' ' ' VAL . 0.1 OUTLIER . . . . . 0 C--O 1.27 2.148 0 CA-C-N 112.891 -1.959 . . . . 0.0 106.152 175.979 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 14.7 m . . . . . 0 C--O 1.237 0.415 0 N-CA-C 107.546 -1.279 . . . . 0.0 107.546 . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . -146.33 106.38 0.37 Allowed Glycine 0 N--CA 1.439 -1.133 0 C-N-CA 119.485 -1.341 . . . . 0.0 112.423 178.76 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 9' ' ' ARG . . . . . 0.4 HH11 ' HD2' ' A' ' 9' ' ' ARG . 0.0 OUTLIER -132.66 96.27 3.78 Favored 'General case' 0 C--N 1.304 -1.395 0 N-CA-C 105.098 -2.186 . . . . 0.0 105.098 173.297 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 13.5 pt-20 -95.18 107.84 19.94 Favored 'General case' 0 C--N 1.302 -1.479 0 CA-C-O 122.548 1.166 . . . . 0.0 110.929 -176.747 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 11' ' ' ASN . . . . . . . . . . . . . 9.7 m120 -99.63 -179.56 4.23 Favored 'General case' 0 C--N 1.304 -1.383 0 N-CA-C 105.215 -2.143 . . . . 0.0 105.215 179.391 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 12' ' ' LEU . . . . . 0.435 HD23 ' H ' ' A' ' 12' ' ' LEU . 2.1 pt? -67.9 122.83 19.0 Favored 'General case' 0 C--N 1.32 -0.705 0 N-CA-C 104.669 -2.345 . . . . 0.0 104.669 171.047 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 13' ' ' TYR . . . . . . . . . . . . . 2.8 t80 -92.8 129.05 38.85 Favored 'General case' 0 C--N 1.304 -1.399 0 C-N-CA 118.417 -1.313 . . . . 0.0 109.545 -172.318 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 14' ' ' PHE . . . . . . . . . . . . . 80.6 m-85 -87.99 160.14 18.01 Favored 'General case' 0 C--N 1.309 -1.177 0 CA-C-N 115.611 -0.722 . . . . 0.0 109.558 -178.724 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 76.3 mt-30 -80.67 115.76 20.34 Favored 'General case' 0 C--N 1.311 -1.082 0 N-CA-C 114.798 1.407 . . . . 0.0 114.798 -173.413 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . -150.48 173.72 30.02 Favored Glycine 0 N--CA 1.431 -1.65 0 N-CA-C 103.497 -3.841 . . . . 0.0 103.497 174.423 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 17' ' ' HIS . . . . . . . . . . . . . 90.5 m-70 -81.36 96.6 7.38 Favored 'General case' 0 C--N 1.304 -1.389 0 CA-C-N 120.6 2.2 . . . . 0.0 110.248 177.48 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 18' ' ' MET . . . . . . . . . . . . . 4.1 ppp? -113.32 -178.81 3.47 Favored 'General case' 0 C--N 1.297 -1.689 0 CA-C-N 113.314 -1.766 . . . . 0.0 111.084 -171.768 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 19' ' ' ALA . . . . . 0.534 ' HB1' ' HD2' ' A' ' 84' ' ' PRO . . . -69.77 89.79 0.57 Allowed 'General case' 0 C--N 1.314 -0.945 0 CA-C-N 115.549 -0.751 . . . . 0.0 109.522 177.727 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 20' ' ' ALA . . . . . 0.416 ' HA ' ' HD3' ' A' ' 21' ' ' PRO . . . -77.07 122.2 85.94 Favored Pre-proline 0 C--N 1.318 -0.788 0 CA-C-N 115.825 -0.625 . . . . 0.0 111.849 -173.87 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 21' ' ' PRO . . . . . 0.441 ' HB3' ' OE1' ' A' ' 64' ' ' GLN . 64.2 Cg_exo -56.83 114.5 1.95 Allowed 'Trans proline' 0 C--N 1.349 0.588 0 C-N-CA 123.392 2.728 . . . . 0.0 111.535 178.144 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -137.41 20.16 2.93 Favored 'General case' 0 C--N 1.313 -1.002 0 CA-C-O 121.502 0.668 . . . . 0.0 111.841 -177.28 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 23' ' ' ARG . . . . . 0.599 ' C ' HG12 ' A' ' 44' ' ' ILE . 3.0 mtm180 61.95 23.24 13.65 Favored 'General case' 0 C--N 1.317 -0.808 0 N-CA-C 115.209 1.559 . . . . 0.0 115.209 177.988 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 24' ' ' SER . . . . . 0.799 ' O ' ' HA ' ' A' ' 84' ' ' PRO . 69.7 m -144.15 141.37 29.93 Favored 'General case' 0 C--N 1.303 -1.446 0 N-CA-C 107.466 -1.309 . . . . 0.0 107.466 174.562 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 25' ' ' CYS . . . . . . . . . . . . . 69.3 m -107.14 130.72 54.66 Favored 'General case' 0 CA--C 1.495 -1.173 0 N-CA-C 106.783 -1.562 . . . . 0.0 106.783 177.912 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 26' ' ' VAL . . . . . 0.602 ' O ' ' HA ' ' A' ' 82' ' ' ALA . 3.4 t -112.53 120.19 62.11 Favored 'Isoleucine or valine' 0 C--N 1.284 -2.258 0 N-CA-C 107.052 -1.462 . . . . 0.0 107.052 -175.524 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 27' ' ' TYR . . . . . . . . . . . . . 38.6 m-85 -93.17 125.68 37.89 Favored 'General case' 0 N--CA 1.423 -1.812 0 O-C-N 124.313 1.008 . . . . 0.0 108.833 -176.059 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 28' ' ' TYR . . . . . 0.402 ' CG ' ' HB2' ' A' ' 36' ' ' ARG . 81.6 m-85 -124.05 145.63 49.1 Favored 'General case' 0 N--CA 1.416 -2.155 0 CA-C-N 113.836 -1.529 . . . . 0.0 110.07 -176.115 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 29' ' ' ASP . . . . . 0.439 ' HB3' ' HB ' ' A' ' 37' ' ' VAL . 5.0 t70 -87.51 105.63 17.44 Favored 'General case' 0 C--N 1.292 -1.91 0 N-CA-C 103.708 -2.701 . . . . 0.0 103.708 170.697 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . -164.31 140.74 6.63 Favored Glycine 0 N--CA 1.43 -1.719 0 C-N-CA 118.79 -1.671 . . . . 0.0 113.54 -178.151 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 31' ' ' HIS . . . . . . . . . . . . . 81.5 m-70 -90.4 -40.1 12.26 Favored 'General case' 0 C--N 1.296 -1.751 0 N-CA-C 106.598 -1.63 . . . . 0.0 106.598 178.562 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 2.9 mm? -124.61 157.67 64.77 Favored Pre-proline 0 N--CA 1.44 -0.935 0 N-CA-C 107.072 -1.455 . . . . 0.0 107.072 175.689 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 33' ' ' PRO . . . . . 0.416 ' O ' ' HG2' ' A' ' 36' ' ' ARG . 8.2 Cg_endo -56.38 -24.05 49.94 Favored 'Trans proline' 0 CA--C 1.538 0.694 0 C-N-CA 122.632 2.221 . . . . 0.0 112.566 174.899 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -78.84 -17.86 54.96 Favored 'General case' 0 C--N 1.327 -0.384 0 O-C-N 121.679 -0.638 . . . . 0.0 111.976 177.247 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 74.1 p -103.53 5.7 36.91 Favored 'General case' 0 C--N 1.322 -0.601 0 O-C-N 122.122 -0.361 . . . . 0.0 111.659 -175.6 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 36' ' ' ARG . . . . . 0.416 ' HG2' ' O ' ' A' ' 33' ' ' PRO . 36.1 ptt180 -61.91 125.37 23.59 Favored 'General case' 0 C--N 1.33 -0.28 0 N-CA-C 112.628 0.603 . . . . 0.0 112.628 -175.814 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 37' ' ' VAL . . . . . 0.439 ' HB ' ' HB3' ' A' ' 29' ' ' ASP . 47.8 t -115.44 122.54 69.53 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.841 0 N-CA-C 106.914 -1.513 . . . . 0.0 106.914 175.325 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 56.3 tp -60.29 116.48 4.28 Favored 'General case' 0 C--N 1.317 -0.844 0 N-CA-C 113.604 0.964 . . . . 0.0 113.604 -179.066 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 88.4 mt -92.95 -54.61 3.67 Favored 'General case' 0 C--N 1.304 -1.404 0 CA-C-N 114.726 -1.125 . . . . 0.0 110.66 174.44 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 40' ' ' MET . . . . . 0.418 ' HB3' HD12 ' A' ' 50' ' ' ILE . 51.0 tpp -165.69 148.9 7.78 Favored 'General case' 0 C--N 1.326 -0.442 0 CA-C-N 115.252 -0.885 . . . . 0.0 111.34 -171.294 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 41' ' ' TYR . . . . . . . . . . . . . 82.5 m-85 -101.24 124.56 47.13 Favored 'General case' 0 C--N 1.323 -0.557 0 N-CA-C 107.778 -1.193 . . . . 0.0 107.778 172.571 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 46.2 t -117.08 137.86 49.6 Favored 'Isoleucine or valine' 0 C--N 1.312 -1.057 0 N-CA-C 107.772 -1.196 . . . . 0.0 107.772 179.728 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 31.1 tpt180 -88.79 140.45 29.43 Favored 'General case' 0 C--N 1.293 -1.885 0 N-CA-C 106.785 -1.561 . . . . 0.0 106.785 178.755 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 44' ' ' ILE . . . . . 0.599 HG12 ' C ' ' A' ' 23' ' ' ARG . 30.7 mm -57.4 129.72 19.53 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.823 0 CA-C-O 121.626 0.727 . . . . 0.0 109.74 179.241 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . 104.83 -14.4 49.4 Favored Glycine 0 C--N 1.3 -1.456 0 CA-C-N 114.543 -1.208 . . . . 0.0 111.309 174.901 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 46' ' ' ASN . . . . . . . . . . . . . 48.5 t30 -105.93 162.87 13.2 Favored 'General case' 0 C--N 1.305 -1.333 0 CA-C-O 121.645 0.736 . . . . 0.0 110.0 -177.242 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 21.8 p -110.32 151.77 27.01 Favored 'General case' 0 C--N 1.291 -1.942 0 CA-C-N 114.33 -1.305 . . . . 0.0 109.577 177.952 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -152.04 131.6 13.05 Favored 'General case' 0 C--N 1.303 -1.422 0 N-CA-C 114.854 1.427 . . . . 0.0 114.854 -177.691 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 2.8 m -70.16 108.73 4.26 Favored 'General case' 0 C--N 1.312 -1.041 0 C-N-CA 125.347 1.459 . . . . 0.0 109.762 174.527 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 50' ' ' ILE . . . . . 0.418 HD12 ' HB3' ' A' ' 40' ' ' MET . 26.6 mm -100.54 109.25 24.76 Favored 'Isoleucine or valine' 0 C--N 1.31 -1.109 0 N-CA-C 107.956 -1.127 . . . . 0.0 107.956 177.371 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 76.1 m -91.82 123.36 35.15 Favored 'General case' 0 C--N 1.294 -1.814 0 C-N-CA 117.964 -1.494 . . . . 0.0 107.506 174.261 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -150.92 125.86 9.79 Favored 'General case' 0 C--N 1.315 -0.9 0 N-CA-C 107.98 -1.118 . . . . 0.0 107.98 176.963 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 53' ' ' ARG . . . . . . . . . . . . . 83.8 mtt180 65.83 21.7 11.46 Favored 'General case' 0 N--CA 1.472 0.659 0 C-N-CA 125.057 1.343 . . . . 0.0 110.743 179.365 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . 84.05 13.72 73.84 Favored Glycine 0 C--N 1.308 -0.986 0 CA-C-N 114.723 -1.126 . . . . 0.0 111.813 -178.321 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 55' ' ' HIS . . . . . . . . . . . . . 40.1 m-70 -115.27 126.85 55.0 Favored 'General case' 0 C--N 1.311 -1.073 0 N-CA-C 109.406 -0.59 . . . . 0.0 109.406 178.561 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 17.2 mp0 -85.59 116.89 24.14 Favored 'General case' 0 N--CA 1.435 -1.224 0 N-CA-C 108.952 -0.759 . . . . 0.0 108.952 171.159 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 57' ' ' PHE . . . . . . . . . . . . . 86.1 m-85 -105.63 100.48 10.05 Favored 'General case' 0 N--CA 1.415 -2.181 0 N-CA-C 104.107 -2.553 . . . . 0.0 104.107 174.249 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 58' ' ' GLU . . . . . 0.458 ' HG3' HG21 ' A' ' 71' ' ' THR . 16.9 tp10 -78.97 110.44 14.2 Favored 'General case' 0 C--N 1.303 -1.456 0 N-CA-C 103.966 -2.605 . . . . 0.0 103.966 178.245 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 59' ' ' VAL . . . . . 0.554 ' HA ' ' HA ' ' A' ' 70' ' ' LEU . 19.3 m -99.01 162.24 2.93 Favored 'Isoleucine or valine' 0 C--N 1.298 -1.665 0 CA-C-N 115.988 -0.551 . . . . 0.0 110.68 -176.105 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 38.1 tt0 -131.13 102.19 5.9 Favored 'General case' 0 N--CA 1.421 -1.919 0 N-CA-C 106.504 -1.665 . . . . 0.0 106.504 178.611 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -77.13 89.62 3.63 Favored 'General case' 0 C--N 1.318 -0.794 0 CA-C-N 115.234 -0.894 . . . . 0.0 109.612 -178.53 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 33.6 mmtp -64.56 -58.48 6.25 Favored 'General case' 0 C--N 1.321 -0.646 0 CA-C-N 114.182 -1.372 . . . . 0.0 113.237 -178.58 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 7.4 t0 -138.54 167.91 20.91 Favored 'General case' 0 C--N 1.309 -1.175 0 N-CA-C 108.655 -0.869 . . . . 0.0 108.655 -175.386 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 64' ' ' GLN . . . . . 0.441 ' OE1' ' HB3' ' A' ' 21' ' ' PRO . 11.7 pt20 -75.73 5.01 6.79 Favored 'General case' 0 C--N 1.32 -0.684 0 C-N-CA 125.391 1.476 . . . . 0.0 113.069 -174.305 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 65' ' ' ASN . . . . . . . . . . . . . 18.7 m120 -79.81 -16.56 55.26 Favored 'General case' 0 C--N 1.324 -0.515 0 N-CA-C 108.055 -1.091 . . . . 0.0 108.055 174.753 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 66' ' ' CYS . . . . . . . . . . . . . 71.5 m 59.3 55.13 4.4 Favored 'General case' 0 N--CA 1.443 -0.818 0 N-CA-C 116.539 2.052 . . . . 0.0 116.539 174.208 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 4.8 mptp? -76.85 157.4 31.49 Favored 'General case' 0 CA--C 1.49 -1.347 0 N-CA-C 108.734 -0.839 . . . . 0.0 108.734 170.038 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 68' ' ' VAL . . . . . . . . . . . . . 7.2 p -89.35 98.94 8.61 Favored 'Isoleucine or valine' 0 C--N 1.284 -2.274 0 CA-C-O 123.103 1.43 . . . . 0.0 108.194 176.604 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 69' ' ' ILE . . . . . . . . . . . . . 86.7 mt -120.74 120.52 62.73 Favored 'Isoleucine or valine' 0 C--N 1.296 -1.734 0 N-CA-C 105.43 -2.063 . . . . 0.0 105.43 -177.089 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 70' ' ' LEU . . . . . 0.773 HD21 ' HB2' ' A' ' 76' ' ' ALA . 2.4 mm? -86.01 160.11 19.42 Favored 'General case' 0 N--CA 1.412 -2.346 0 C-N-CA 119.053 -1.059 . . . . 0.0 109.106 -179.701 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 71' ' ' THR . . . . . 0.458 HG21 ' HG3' ' A' ' 58' ' ' GLU . 22.7 p -58.48 -34.73 71.21 Favored 'General case' 0 C--N 1.29 -2.011 0 O-C-N 124.394 1.059 . . . . 0.0 112.568 178.353 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 72' ' ' ASN . . . . . 0.416 ' ND2' ' HG3' ' A' ' 74' ' ' LYS . 35.9 p-10 -84.03 -7.12 59.48 Favored 'General case' 0 C--N 1.307 -1.256 0 CA-C-O 122.341 1.067 . . . . 0.0 109.344 -176.778 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 73' ' ' GLY . . . . . . . . . . . . . . . 87.31 17.45 58.91 Favored Glycine 0 CA--C 1.487 -1.69 0 CA-C-N 113.876 -1.511 . . . . 0.0 111.726 170.256 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 74' ' ' LYS . . . . . 0.416 ' HG3' ' ND2' ' A' ' 72' ' ' ASN . 73.2 mmtt -89.7 179.26 6.06 Favored 'General case' 0 C--N 1.298 -1.639 0 N-CA-C 114.088 1.144 . . . . 0.0 114.088 -175.984 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 75' ' ' GLN . . . . . . . . . . . . . 48.3 mt-30 -93.32 141.26 28.64 Favored 'General case' 0 C--N 1.305 -1.354 0 CA-C-N 113.162 -1.836 . . . . 0.0 109.396 175.471 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 76' ' ' ALA . . . . . 0.773 ' HB2' HD21 ' A' ' 70' ' ' LEU . . . -108.03 161.5 23.12 Favored Pre-proline 0 C--N 1.296 -1.748 0 N-CA-C 107.784 -1.191 . . . . 0.0 107.784 178.015 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 77' ' ' PRO . . . . . . . . . . . . . 9.6 Cg_endo -53.96 153.77 19.39 Favored 'Trans proline' 0 C--N 1.348 0.508 0 C-N-CA 123.573 2.849 . . . . 0.0 112.423 175.655 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 78' ' ' ASP . . . . . . . . . . . . . 32.4 t70 -62.01 -27.19 68.69 Favored 'General case' 0 C--N 1.315 -0.911 0 CA-C-N 115.146 -0.933 . . . . 0.0 111.891 -177.469 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 79' ' ' TRP . . . . . . . . . . . . . 60.5 p-90 -79.82 -10.46 59.78 Favored 'General case' 0 C--N 1.321 -0.651 0 N-CA-C 112.385 0.513 . . . . 0.0 112.385 -179.248 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 80' ' ' LEU . . . . . 0.492 HD23 ' HB1' ' A' ' 76' ' ' ALA . 25.2 tp -84.74 97.96 9.98 Favored 'General case' 0 N--CA 1.433 -1.281 0 N-CA-C 108.484 -0.932 . . . . 0.0 108.484 -178.382 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -97.36 163.62 12.81 Favored 'General case' 0 C--N 1.311 -1.099 0 CA-C-N 114.691 -1.141 . . . . 0.0 110.616 -176.336 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 82' ' ' ALA . . . . . 0.602 ' HA ' ' O ' ' A' ' 26' ' ' VAL . . . -156.11 134.76 11.73 Favored 'General case' 0 C--N 1.301 -1.532 0 CA-C-N 114.147 -1.388 . . . . 0.0 108.125 177.449 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 10.1 pt-20 -146.67 147.63 30.84 Favored Pre-proline 0 C--N 1.307 -1.275 0 N-CA-C 106.188 -1.782 . . . . 0.0 106.188 176.859 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 84' ' ' PRO . . . . . 0.799 ' HA ' ' O ' ' A' ' 24' ' ' SER . 60.8 Cg_endo -65.14 131.35 28.29 Favored 'Trans proline' 0 N--CA 1.449 -1.11 0 C-N-CA 121.166 1.244 . . . . 0.0 110.957 173.209 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 85' ' ' TYR . . . . . 0.494 ' CD1' ' HB2' ' A' ' 24' ' ' SER 0.263 0.6 OUTLIER . . . . . 0 C--O 1.242 0.692 0 N-CA-C 115.766 1.765 . . . . 0.0 115.766 -171.089 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 8.6 t . . . . . 0 C--O 1.236 0.389 0 N-CA-C 106.537 -1.653 . . . . 0.0 106.537 . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . -140.68 -179.87 18.56 Favored Glycine 0 N--CA 1.436 -1.35 0 C-N-CA 120.493 -0.86 . . . . 0.0 111.013 -177.183 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 37.1 mmt180 -90.84 96.87 10.85 Favored 'General case' 0 C--N 1.308 -1.198 0 CA-C-O 121.179 0.514 . . . . 0.0 111.537 -179.379 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 4.9 tp10 -90.34 92.5 8.93 Favored 'General case' 0 C--N 1.303 -1.414 0 N-CA-C 107.258 -1.386 . . . . 0.0 107.258 172.233 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 11' ' ' ASN . . . . . . . . . . . . . 36.8 m-80 -122.68 91.14 3.43 Favored 'General case' 0 C--N 1.304 -1.377 0 CA-C-O 121.954 0.883 . . . . 0.0 111.195 178.882 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 4.4 pp -150.98 158.18 43.82 Favored 'General case' 0 C--N 1.294 -1.818 0 N-CA-C 103.397 -2.816 . . . . 0.0 103.397 172.567 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 13' ' ' TYR . . . . . . . . . . . . . 50.9 t80 -110.37 111.48 22.79 Favored 'General case' 0 C--N 1.28 -2.417 0 C-N-CA 118.517 -1.273 . . . . 0.0 109.484 -178.5 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 14' ' ' PHE . . . . . . . . . . . . . 78.9 t80 -87.79 161.77 17.38 Favored 'General case' 0 C--N 1.306 -1.285 0 N-CA-C 106.662 -1.607 . . . . 0.0 106.662 179.349 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 61.8 tp60 -67.78 106.46 2.26 Favored 'General case' 0 N--CA 1.443 -0.813 0 CA-C-O 121.02 0.438 . . . . 0.0 110.552 179.71 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . -81.02 152.75 33.34 Favored Glycine 0 N--CA 1.435 -1.419 0 N-CA-C 108.99 -1.644 . . . . 0.0 108.99 176.071 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 17' ' ' HIS . . . . . . . . . . . . . 2.7 p80 -86.55 141.14 29.25 Favored 'General case' 0 C--N 1.308 -1.217 0 C-N-CA 120.352 -0.539 . . . . 0.0 109.696 -177.991 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 18' ' ' MET . . . . . . . . . . . . . 25.0 ttt -86.55 125.15 33.58 Favored 'General case' 0 N--CA 1.437 -1.091 0 N-CA-C 104.168 -2.53 . . . . 0.0 104.168 174.518 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -71.89 108.34 5.11 Favored 'General case' 0 C--N 1.304 -1.397 0 N-CA-C 115.342 1.608 . . . . 0.0 115.342 -169.914 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -84.9 131.96 47.43 Favored Pre-proline 0 N--CA 1.436 -1.171 0 N-CA-C 100.274 -3.972 . . . . 0.0 100.274 164.616 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 21' ' ' PRO . . . . . . . . . . . . . 30.5 Cg_exo -10.26 89.51 0.0 OUTLIER 'Trans proline' 0 C--N 1.357 1.016 1 C-N-CA 126.464 4.776 . . . . 0.0 116.033 -170.033 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 22' ' ' ALA . . . . . 0.612 ' H ' ' HB2' ' A' ' 84' ' ' PRO . . . -73.26 26.52 0.06 Allowed 'General case' 0 N--CA 1.473 0.687 0 N-CA-C 115.649 1.722 . . . . 0.0 115.649 -172.285 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 23' ' ' ARG . . . . . 0.498 ' C ' HG12 ' A' ' 44' ' ' ILE . 92.6 mtt180 57.98 22.1 8.47 Favored 'General case' 0 C--N 1.313 -0.983 0 N-CA-C 114.786 1.402 . . . . 0.0 114.786 172.659 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 24' ' ' SER . . . . . 0.79 ' O ' ' HA ' ' A' ' 84' ' ' PRO . 67.7 m -155.64 143.22 19.57 Favored 'General case' 0 C--N 1.312 -1.062 0 N-CA-C 107.696 -1.224 . . . . 0.0 107.696 175.716 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 25' ' ' CYS . . . . . . . . . . . . . 91.7 m -108.12 130.7 55.09 Favored 'General case' 0 N--CA 1.435 -1.187 0 N-CA-C 105.706 -1.961 . . . . 0.0 105.706 178.316 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 26' ' ' VAL . . . . . 0.634 ' O ' ' HA ' ' A' ' 82' ' ' ALA . 4.2 t -118.49 121.44 67.08 Favored 'Isoleucine or valine' 0 C--N 1.29 -2.003 0 N-CA-C 107.99 -1.115 . . . . 0.0 107.99 -171.624 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 27' ' ' TYR . . . . . . . . . . . . . 78.4 m-85 -87.56 129.8 34.97 Favored 'General case' 0 C--N 1.293 -1.872 0 O-C-N 124.797 1.311 . . . . 0.0 110.185 -173.959 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 28' ' ' TYR . . . . . 0.448 ' HA ' ' O ' ' A' ' 37' ' ' VAL . 96.8 m-85 -127.38 138.68 53.07 Favored 'General case' 0 N--CA 1.417 -2.105 0 CA-C-N 114.57 -1.196 . . . . 0.0 109.392 179.748 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 29' ' ' ASP . . . . . 0.512 ' HB3' ' HB ' ' A' ' 37' ' ' VAL . 5.7 t0 -86.62 102.31 14.05 Favored 'General case' 0 C--N 1.296 -1.748 0 N-CA-C 105.184 -2.154 . . . . 0.0 105.184 170.925 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . -160.0 127.58 1.83 Allowed Glycine 0 N--CA 1.415 -2.738 0 C-N-CA 118.788 -1.672 . . . . 0.0 113.75 -177.739 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 31' ' ' HIS . . . . . . . . . . . . . 5.3 t-80 -91.16 -30.21 16.82 Favored 'General case' 0 C--N 1.279 -2.49 0 N-CA-C 104.6 -2.37 . . . . 0.0 104.6 177.161 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 32' ' ' LEU . . . . . 0.494 HD12 ' HD2' ' A' ' 33' ' ' PRO . 35.7 tp -132.01 132.38 23.1 Favored Pre-proline 0 N--CA 1.441 -0.895 0 N-CA-C 105.625 -1.991 . . . . 0.0 105.625 176.324 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 33' ' ' PRO . . . . . 0.494 ' HD2' HD12 ' A' ' 32' ' ' LEU . 21.3 Cg_endo -62.94 -16.13 52.06 Favored 'Trans proline' 0 C--N 1.35 0.645 0 C-N-CA 122.756 2.304 . . . . 0.0 113.793 -178.015 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -72.23 -38.83 68.87 Favored 'General case' 0 C--N 1.316 -0.855 0 O-C-N 121.756 -0.59 . . . . 0.0 111.713 178.192 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 10.0 t -110.56 20.91 17.2 Favored 'General case' 0 C--N 1.318 -0.766 0 CA-C-O 121.386 0.613 . . . . 0.0 110.612 -175.018 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 36' ' ' ARG . . . . . 0.416 ' HB2' ' HB3' ' A' ' 28' ' ' TYR . 38.0 ptt180 -59.5 153.2 20.04 Favored 'General case' 0 C--O 1.242 0.686 0 CA-C-N 115.215 -0.902 . . . . 0.0 110.585 177.47 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 37' ' ' VAL . . . . . 0.512 ' HB ' ' HB3' ' A' ' 29' ' ' ASP . 56.1 t -120.37 128.85 76.03 Favored 'Isoleucine or valine' 0 C--N 1.316 -0.853 0 N-CA-C 107.696 -1.224 . . . . 0.0 107.696 -178.797 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 38' ' ' LEU . . . . . 0.415 HD21 ' CE2' ' A' ' 41' ' ' TYR . 3.4 tm? -69.37 112.51 5.96 Favored 'General case' 0 C--N 1.311 -1.092 0 N-CA-C 108.282 -1.007 . . . . 0.0 108.282 -179.39 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 86.9 mt -90.77 -61.83 1.59 Allowed 'General case' 0 N--CA 1.44 -0.926 0 C-N-CA 119.737 -0.785 . . . . 0.0 109.54 178.025 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 40' ' ' MET . . . . . . . . . . . . . 36.5 ttp -168.48 148.4 4.56 Favored 'General case' 0 N--CA 1.443 -0.818 0 N-CA-C 112.006 0.372 . . . . 0.0 112.006 -178.12 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 41' ' ' TYR . . . . . 0.475 ' CE1' ' HB2' ' A' ' 85' ' ' TYR . 8.6 m-85 -89.26 132.99 34.64 Favored 'General case' 0 C--N 1.328 -0.361 0 C-N-CA 124.731 1.212 . . . . 0.0 108.705 174.784 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 59.4 t -129.48 127.37 64.8 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.695 0 N-CA-C 109.913 -0.403 . . . . 0.0 109.913 177.562 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 13.2 mmm180 -62.26 148.63 44.3 Favored 'General case' 0 CA--C 1.498 -1.031 0 CA-C-O 121.679 0.752 . . . . 0.0 112.863 175.237 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 44' ' ' ILE . . . . . 0.498 HG12 ' C ' ' A' ' 23' ' ' ARG . 24.8 mm -68.72 121.46 18.07 Favored 'Isoleucine or valine' 0 C--N 1.305 -1.361 0 N-CA-C 106.788 -1.56 . . . . 0.0 106.788 173.489 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . 99.29 15.65 32.09 Favored Glycine 0 C--N 1.289 -2.032 0 N-CA-C 110.792 -0.923 . . . . 0.0 110.792 -178.343 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 46' ' ' ASN . . . . . . . . . . . . . 41.6 t-20 -127.42 154.16 45.38 Favored 'General case' 0 C--N 1.304 -1.377 0 CA-C-O 121.667 0.746 . . . . 0.0 109.13 -177.434 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 12.5 p -117.83 145.37 44.62 Favored 'General case' 0 C--N 1.286 -2.175 0 CA-C-N 114.346 -1.297 . . . . 0.0 110.0 -177.863 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 48' ' ' ALA . . . . . 0.418 ' O ' ' HA ' ' A' ' 58' ' ' GLU . . . -148.67 161.14 42.33 Favored 'General case' 0 C--N 1.292 -1.929 0 C-N-CA 120.186 -0.606 . . . . 0.0 111.941 -175.779 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 32.1 m -117.07 115.23 24.99 Favored 'General case' 0 C--N 1.3 -1.575 0 N-CA-C 107.806 -1.183 . . . . 0.0 107.806 177.599 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 50' ' ' ILE . . . . . . . . . . . . . 5.1 mm -104.38 110.89 31.91 Favored 'Isoleucine or valine' 0 C--N 1.312 -1.032 0 N-CA-C 107.876 -1.157 . . . . 0.0 107.876 -177.781 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 29.9 m -89.39 123.6 33.69 Favored 'General case' 0 C--N 1.294 -1.811 0 C-N-CA 117.7 -1.6 . . . . 0.0 107.713 174.223 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -149.5 121.93 8.49 Favored 'General case' 0 C--N 1.311 -1.079 0 N-CA-C 107.785 -1.191 . . . . 0.0 107.785 179.339 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 53' ' ' ARG . . . . . . . . . . . . . 78.9 mtt85 64.39 20.94 12.35 Favored 'General case' 0 C--N 1.32 -0.694 0 C-N-CA 124.435 1.094 . . . . 0.0 112.418 -179.179 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . 83.76 13.0 76.4 Favored Glycine 0 N--CA 1.44 -1.035 0 CA-C-N 114.561 -1.2 . . . . 0.0 111.766 -179.464 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 55' ' ' HIS . . . . . . . . . . . . . 43.0 m-70 -109.24 127.31 54.15 Favored 'General case' 0 C--N 1.309 -1.154 0 N-CA-C 105.491 -2.04 . . . . 0.0 105.491 175.118 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 5.8 mp0 -94.91 118.8 32.39 Favored 'General case' 0 N--CA 1.429 -1.51 0 N-CA-C 107.212 -1.403 . . . . 0.0 107.212 174.35 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 57' ' ' PHE . . . . . . . . . . . . . 88.8 m-85 -101.88 106.19 17.11 Favored 'General case' 0 N--CA 1.424 -1.769 0 N-CA-C 107.167 -1.419 . . . . 0.0 107.167 179.064 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 58' ' ' GLU . . . . . 0.49 ' HG2' HG21 ' A' ' 71' ' ' THR . 40.4 tt0 -90.19 110.04 21.09 Favored 'General case' 0 N--CA 1.417 -2.114 0 N-CA-C 104.909 -2.256 . . . . 0.0 104.909 178.495 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 59' ' ' VAL . . . . . 0.583 HG12 HD13 ' A' ' 70' ' ' LEU . 30.0 m -110.77 159.4 10.71 Favored 'Isoleucine or valine' 0 C--N 1.294 -1.822 0 CA-C-N 114.593 -1.185 . . . . 0.0 111.382 -173.436 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 40.3 tt0 -130.87 103.21 6.43 Favored 'General case' 0 N--CA 1.42 -1.959 0 N-CA-C 105.856 -1.905 . . . . 0.0 105.856 177.305 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -77.79 88.07 4.02 Favored 'General case' 0 C--N 1.316 -0.888 0 N-CA-C 106.958 -1.497 . . . . 0.0 106.958 178.178 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 24.2 ttpp -87.74 -33.98 18.51 Favored 'General case' 0 N--CA 1.42 -1.968 0 CA-C-N 115.046 -0.979 . . . . 0.0 112.079 -174.852 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 9.2 m-20 -132.99 149.68 52.22 Favored 'General case' 0 C--N 1.307 -1.269 0 CA-C-N 115.694 -0.685 . . . . 0.0 109.482 -177.314 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 64' ' ' GLN . . . . . . . . . . . . . 16.0 pm0 -75.43 8.63 2.66 Favored 'General case' 0 C--N 1.317 -0.835 0 C-N-CA 124.995 1.318 . . . . 0.0 111.571 179.346 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 65' ' ' ASN . . . . . . . . . . . . . 21.0 t30 -66.82 -30.8 71.08 Favored 'General case' 0 C--N 1.323 -0.564 0 N-CA-C 106.508 -1.664 . . . . 0.0 106.508 170.42 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 66' ' ' CYS . . . . . 0.545 ' O ' ' HB3' ' A' ' 82' ' ' ALA . 71.3 m 59.38 32.61 21.95 Favored 'General case' 0 N--CA 1.445 -0.699 0 CA-C-N 113.943 -1.48 . . . . 0.0 114.334 176.524 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 67' ' ' LYS . . . . . 0.494 ' HA ' ' HE3' ' A' ' 67' ' ' LYS . 0.0 OUTLIER -74.94 137.94 41.99 Favored 'General case' 0 N--CA 1.399 -2.987 0 N-CA-C 103.766 -2.679 . . . . 0.0 103.766 167.367 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 68' ' ' VAL . . . . . . . . . . . . . 3.3 p -64.66 101.92 0.34 Allowed 'Isoleucine or valine' 0 C--N 1.299 -1.605 0 CA-C-O 122.282 1.039 . . . . 0.0 109.989 178.015 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 69' ' ' ILE . . . . . . . . . . . . . 96.9 mt -106.9 123.08 61.73 Favored 'Isoleucine or valine' 0 C--N 1.309 -1.194 0 CA-C-N 114.353 -1.294 . . . . 0.0 107.683 -177.336 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 70' ' ' LEU . . . . . 0.837 HD21 ' HB2' ' A' ' 76' ' ' ALA . 2.8 mm? -90.58 151.98 21.09 Favored 'General case' 0 N--CA 1.413 -2.31 0 CA-C-O 121.925 0.869 . . . . 0.0 109.805 -178.224 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 71' ' ' THR . . . . . 0.49 HG21 ' HG2' ' A' ' 58' ' ' GLU . 45.0 p -67.45 -33.04 74.32 Favored 'General case' 0 C--N 1.288 -2.069 0 CA-C-N 113.411 -1.722 . . . . 0.0 110.889 179.269 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 72' ' ' ASN . . . . . 0.517 ' OD1' ' HG3' ' A' ' 74' ' ' LYS . 4.3 p30 -99.4 -13.83 19.4 Favored 'General case' 0 C--N 1.3 -1.581 0 CA-C-N 113.172 -1.831 . . . . 0.0 109.737 -173.625 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 73' ' ' GLY . . . . . . . . . . . . . . . 90.13 21.26 39.31 Favored Glycine 0 N--CA 1.43 -1.711 0 C-N-CA 119.781 -1.2 . . . . 0.0 113.716 174.299 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 74' ' ' LYS . . . . . 0.517 ' HG3' ' OD1' ' A' ' 72' ' ' ASN . 58.6 mttm -62.69 162.93 9.93 Favored 'General case' 0 N--CA 1.434 -1.241 0 CA-C-O 122.52 1.152 . . . . 0.0 112.623 172.799 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 75' ' ' GLN . . . . . . . . . . . . . 5.9 tp-100 -89.19 108.05 19.39 Favored 'General case' 0 C--N 1.285 -2.212 0 N-CA-C 106.166 -1.79 . . . . 0.0 106.166 172.102 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 76' ' ' ALA . . . . . 0.845 ' HB1' HD23 ' A' ' 80' ' ' LEU . . . -84.73 142.23 39.27 Favored Pre-proline 0 C--N 1.304 -1.385 0 N-CA-C 107.732 -1.21 . . . . 0.0 107.732 177.897 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 77' ' ' PRO . . . . . 0.44 ' HB2' ' CD1' ' A' ' 79' ' ' TRP . 27.9 Cg_endo -60.35 162.45 17.32 Favored 'Trans proline' 0 C--O 1.238 0.483 0 C-N-CA 124.074 3.183 . . . . 0.0 114.293 -178.551 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 78' ' ' ASP . . . . . . . . . . . . . 11.6 t70 -60.88 -38.33 85.23 Favored 'General case' 0 C--N 1.323 -0.583 0 C-N-CA 124.403 1.081 . . . . 0.0 110.545 -179.618 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 79' ' ' TRP . . . . . 0.44 ' CD1' ' HB2' ' A' ' 77' ' ' PRO . 66.2 p-90 -71.16 -14.09 62.16 Favored 'General case' 0 C--O 1.221 -0.425 0 CA-C-N 115.419 -0.809 . . . . 0.0 111.994 -178.279 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 80' ' ' LEU . . . . . 0.845 HD23 ' HB1' ' A' ' 76' ' ' ALA . 31.7 tp -89.11 98.69 11.91 Favored 'General case' 0 N--CA 1.425 -1.682 0 N-CA-C 107.019 -1.474 . . . . 0.0 107.019 179.312 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -106.01 163.04 13.08 Favored 'General case' 0 C--N 1.304 -1.404 0 CA-C-N 115.049 -0.978 . . . . 0.0 110.734 -176.172 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 82' ' ' ALA . . . . . 0.634 ' HA ' ' O ' ' A' ' 26' ' ' VAL . . . -151.79 146.35 25.65 Favored 'General case' 0 C--N 1.288 -2.079 0 N-CA-C 106.393 -1.706 . . . . 0.0 106.393 173.024 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 9.4 pt-20 -150.19 156.51 37.5 Favored Pre-proline 0 C--N 1.293 -1.851 0 N-CA-C 105.538 -2.023 . . . . 0.0 105.538 176.569 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 84' ' ' PRO . . . . . 0.79 ' HA ' ' O ' ' A' ' 24' ' ' SER . 65.6 Cg_endo -70.25 134.91 28.01 Favored 'Trans proline' 0 N--CA 1.432 -2.093 0 N-CA-C 109.365 -1.052 . . . . 0.0 109.365 175.527 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 85' ' ' TYR . . . . . 0.475 ' HB2' ' CE1' ' A' ' 41' ' ' TYR 0.42 0.8 OUTLIER . . . . . 0 C--O 1.254 1.334 0 N-CA-C 118.887 2.921 . . . . 0.0 118.887 -166.973 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 22.7 t . . . . . 0 C--O 1.239 0.536 0 N-CA-C 105.091 -2.188 . . . . 0.0 105.091 . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . -133.18 135.08 7.86 Favored Glycine 0 N--CA 1.423 -2.171 0 N-CA-C 109.391 -1.484 . . . . 0.0 109.391 179.226 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 9' ' ' ARG . . . . . 0.601 ' HD3' ' O ' ' A' ' 9' ' ' ARG . 0.0 OUTLIER -104.85 114.8 29.24 Favored 'General case' 0 C--N 1.308 -1.224 0 N-CA-C 108.327 -0.99 . . . . 0.0 108.327 175.195 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 10' ' ' GLU . . . . . 0.49 ' HB2' HD22 ' A' ' 32' ' ' LEU . 20.4 mm-40 -130.32 166.88 19.45 Favored 'General case' 0 C--N 1.301 -1.504 0 N-CA-C 107.046 -1.464 . . . . 0.0 107.046 -175.957 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 11' ' ' ASN . . . . . . . . . . . . . 7.1 t30 -143.17 132.04 22.78 Favored 'General case' 0 C--N 1.294 -1.812 0 N-CA-C 107.092 -1.448 . . . . 0.0 107.092 176.166 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 12' ' ' LEU . . . . . 0.456 HD23 ' HG2' ' A' ' 33' ' ' PRO . 1.4 pt? -110.42 128.83 55.78 Favored 'General case' 0 C--N 1.31 -1.145 0 N-CA-C 108.011 -1.107 . . . . 0.0 108.011 -179.994 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 13' ' ' TYR . . . . . . . . . . . . . 74.5 t80 -91.01 98.07 11.55 Favored 'General case' 0 C--N 1.299 -1.588 0 C-N-CA 118.65 -1.22 . . . . 0.0 109.828 178.22 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 14' ' ' PHE . . . . . . . . . . . . . 86.7 t80 -101.6 144.38 30.41 Favored 'General case' 0 C--N 1.298 -1.662 0 N-CA-C 103.851 -2.648 . . . . 0.0 103.851 172.138 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 94.4 mt-30 -78.89 88.78 4.69 Favored 'General case' 0 C--N 1.313 -0.988 0 N-CA-C 108.225 -1.028 . . . . 0.0 108.225 179.86 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . -102.04 164.57 17.14 Favored Glycine 0 N--CA 1.424 -2.162 0 CA-C-N 113.692 -1.595 . . . . 0.0 110.209 -179.543 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 17' ' ' HIS . . . . . . . . . . . . . 13.0 m-70 -74.46 119.81 19.17 Favored 'General case' 0 C--N 1.3 -1.547 0 N-CA-C 108.164 -1.05 . . . . 0.0 108.164 179.073 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 18' ' ' MET . . . . . . . . . . . . . 16.4 tpt -49.14 134.87 17.24 Favored 'General case' 0 C--N 1.327 -0.41 0 O-C-N 124.797 1.311 . . . . 0.0 112.7 -175.316 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -76.98 113.64 14.91 Favored 'General case' 0 N--CA 1.443 -0.792 0 N-CA-C 107.182 -1.414 . . . . 0.0 107.182 176.865 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -83.99 153.94 63.79 Favored Pre-proline 0 C--N 1.307 -1.276 0 CA-C-N 115.949 -0.569 . . . . 0.0 109.779 -176.063 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 21' ' ' PRO . . . . . . . . . . . . . 45.2 Cg_exo -63.08 89.41 0.13 Allowed 'Trans proline' 0 CA--C 1.534 0.482 0 C-N-CA 122.6 2.2 . . . . 0.0 109.38 173.312 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -100.01 33.63 2.54 Favored 'General case' 0 C--N 1.306 -1.323 0 N-CA-C 114.196 1.184 . . . . 0.0 114.196 -170.752 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 23' ' ' ARG . . . . . 0.577 ' C ' HG12 ' A' ' 44' ' ' ILE . 62.1 mtt180 62.4 14.36 6.83 Favored 'General case' 0 C--N 1.316 -0.849 0 N-CA-C 112.85 0.685 . . . . 0.0 112.85 178.52 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 24' ' ' SER . . . . . 0.576 ' O ' ' HA ' ' A' ' 84' ' ' PRO . 61.1 m -152.94 142.47 21.79 Favored 'General case' 0 C--N 1.314 -0.948 0 O-C-N 120.881 -1.137 . . . . 0.0 111.309 179.652 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 25' ' ' CYS . . . . . . . . . . . . . 90.7 m -107.85 131.1 54.85 Favored 'General case' 0 N--CA 1.434 -1.254 0 N-CA-C 104.597 -2.372 . . . . 0.0 104.597 175.705 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 26' ' ' VAL . . . . . 0.509 ' O ' ' HA ' ' A' ' 82' ' ' ALA . 4.1 t -113.69 128.9 70.36 Favored 'Isoleucine or valine' 0 C--N 1.283 -2.299 0 N-CA-C 107.389 -1.337 . . . . 0.0 107.389 -171.221 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 27' ' ' TYR . . . . . . . . . . . . . 57.6 m-85 -100.3 131.63 46.13 Favored 'General case' 0 C--N 1.304 -1.402 0 O-C-N 124.168 0.918 . . . . 0.0 111.496 -172.155 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 28' ' ' TYR . . . . . 0.408 ' HA ' ' O ' ' A' ' 37' ' ' VAL . 97.6 m-85 -129.7 148.7 51.61 Favored 'General case' 0 N--CA 1.419 -2.022 0 CA-C-N 114.322 -1.308 . . . . 0.0 109.973 -178.961 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 7.1 t0 -101.62 109.64 21.48 Favored 'General case' 0 C--N 1.289 -2.042 0 N-CA-C 104.68 -2.341 . . . . 0.0 104.68 173.507 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . -170.85 140.92 6.2 Favored Glycine 0 C--N 1.305 -1.14 0 C-N-CA 117.903 -2.094 . . . . 0.0 115.154 179.008 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 31' ' ' HIS . . . . . . . . . . . . . 41.3 m-70 -90.68 -28.45 18.34 Favored 'General case' 0 C--N 1.304 -1.375 0 N-CA-C 107.429 -1.323 . . . . 0.0 107.429 175.99 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 32' ' ' LEU . . . . . 0.49 HD22 ' HB2' ' A' ' 10' ' ' GLU . 15.6 mt -123.15 153.75 64.79 Favored Pre-proline 0 N--CA 1.439 -1.01 0 N-CA-C 104.8 -2.296 . . . . 0.0 104.8 178.309 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 33' ' ' PRO . . . . . 0.456 ' HG2' HD23 ' A' ' 12' ' ' LEU . 34.6 Cg_endo -70.55 -4.6 14.88 Favored 'Trans proline' 0 CA--C 1.539 0.762 0 C-N-CA 121.588 1.525 . . . . 0.0 109.725 170.858 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -92.29 -17.27 24.97 Favored 'General case' 0 N--CA 1.446 -0.647 0 CA-C-N 115.647 -0.706 . . . . 0.0 109.606 177.311 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 23.3 p -116.4 17.13 15.6 Favored 'General case' 0 N--CA 1.451 -0.395 0 CA-C-O 120.891 0.377 . . . . 0.0 111.211 179.902 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 36' ' ' ARG . . . . . 0.436 ' HG2' ' O ' ' A' ' 33' ' ' PRO . 25.3 ptt180 -70.53 123.49 21.95 Favored 'General case' 0 N--CA 1.444 -0.731 0 CA-C-O 121.684 0.754 . . . . 0.0 110.229 178.974 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 37' ' ' VAL . . . . . 0.408 ' O ' ' HA ' ' A' ' 28' ' ' TYR . 60.1 t -108.49 121.47 61.57 Favored 'Isoleucine or valine' 0 C--N 1.306 -1.313 0 N-CA-C 106.425 -1.694 . . . . 0.0 106.425 -177.759 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 60.5 tp -66.09 118.55 10.0 Favored 'General case' 0 N--CA 1.439 -1.013 0 O-C-N 123.786 0.679 . . . . 0.0 110.733 179.419 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 85.5 mt -91.46 -53.63 4.24 Favored 'General case' 0 C--N 1.303 -1.441 0 CA-C-N 114.612 -1.176 . . . . 0.0 109.183 177.315 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 40' ' ' MET . . . . . . . . . . . . . 24.6 ptp -175.37 167.89 3.31 Favored 'General case' 0 CA--C 1.515 -0.39 0 CA-C-N 115.771 -0.65 . . . . 0.0 112.73 -176.297 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 41' ' ' TYR . . . . . . . . . . . . . 95.4 m-85 -107.78 130.37 54.97 Favored 'General case' 0 C--N 1.317 -0.827 0 CA-C-N 113.814 -1.539 . . . . 0.0 107.605 176.431 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 40.7 t -125.44 124.01 66.09 Favored 'Isoleucine or valine' 0 C--N 1.315 -0.901 0 N-CA-C 108.108 -1.071 . . . . 0.0 108.108 178.002 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 43' ' ' ARG . . . . . 0.437 ' HG2' ' N ' ' A' ' 44' ' ' ILE . 19.1 ttt180 -69.26 148.4 49.84 Favored 'General case' 0 C--N 1.304 -1.378 0 CA-C-O 121.221 0.534 . . . . 0.0 110.137 178.843 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 44' ' ' ILE . . . . . 0.577 HG12 ' C ' ' A' ' 23' ' ' ARG . 19.5 mm -64.84 129.14 28.61 Favored 'Isoleucine or valine' 0 C--N 1.305 -1.34 0 N-CA-C 107.167 -1.42 . . . . 0.0 107.167 175.87 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . 91.09 16.52 53.8 Favored Glycine 0 C--N 1.294 -1.761 0 N-CA-C 110.149 -1.181 . . . . 0.0 110.149 178.759 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 46' ' ' ASN . . . . . . . . . . . . . 42.0 t30 -131.7 157.07 44.73 Favored 'General case' 0 C--N 1.31 -1.149 0 N-CA-C 108.557 -0.905 . . . . 0.0 108.557 178.697 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 18.9 p -111.0 153.85 24.98 Favored 'General case' 0 C--N 1.287 -2.109 0 CA-C-N 114.797 -1.092 . . . . 0.0 109.54 -179.775 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -149.7 150.71 32.52 Favored 'General case' 0 C--N 1.299 -1.617 0 CA-C-N 115.856 -0.611 . . . . 0.0 111.743 179.253 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 27.5 m -102.49 110.63 22.63 Favored 'General case' 0 C--N 1.302 -1.48 0 N-CA-C 107.186 -1.413 . . . . 0.0 107.186 177.999 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 50' ' ' ILE . . . . . . . . . . . . . 9.8 mm -96.69 110.3 24.57 Favored 'Isoleucine or valine' 0 C--N 1.311 -1.079 0 N-CA-C 107.893 -1.151 . . . . 0.0 107.893 -177.827 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 89.0 m -92.05 123.08 35.14 Favored 'General case' 0 C--N 1.293 -1.868 0 C-N-CA 116.95 -1.9 . . . . 0.0 106.324 171.445 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -147.6 122.35 9.91 Favored 'General case' 0 C--N 1.307 -1.268 0 N-CA-C 107.959 -1.126 . . . . 0.0 107.959 -179.053 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 53' ' ' ARG . . . . . 0.49 ' HD3' ' CZ2' ' A' ' 79' ' ' TRP . 20.1 mtp180 65.39 22.03 11.94 Favored 'General case' 0 C--N 1.325 -0.494 0 C-N-CA 124.593 1.157 . . . . 0.0 111.533 179.336 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . 94.44 -0.5 65.81 Favored Glycine 0 N--CA 1.446 -0.645 0 CA-C-N 114.929 -1.032 . . . . 0.0 112.919 179.366 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 55' ' ' HIS . . . . . . . . . . . . . 66.8 m-70 -111.16 131.49 55.06 Favored 'General case' 0 C--N 1.314 -0.96 0 O-C-N 122.409 -0.465 . . . . 0.0 110.958 -179.128 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 7.3 mp0 -84.47 125.24 32.19 Favored 'General case' 0 N--CA 1.443 -0.811 0 N-CA-C 109.644 -0.502 . . . . 0.0 109.644 170.633 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 57' ' ' PHE . . . . . 0.473 ' HB3' HD11 ' A' ' 70' ' ' LEU . 89.8 m-85 -112.89 107.14 15.61 Favored 'General case' 0 N--CA 1.422 -1.869 0 N-CA-C 104.674 -2.343 . . . . 0.0 104.674 174.216 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 58' ' ' GLU . . . . . 0.423 ' HG2' HG21 ' A' ' 71' ' ' THR . 35.1 tt0 -90.96 112.26 24.06 Favored 'General case' 0 C--N 1.298 -1.658 0 N-CA-C 106.417 -1.698 . . . . 0.0 106.417 -178.723 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 59' ' ' VAL . . . . . 0.588 HG12 HD13 ' A' ' 70' ' ' LEU . 27.5 m -110.38 163.26 7.37 Favored 'Isoleucine or valine' 0 C--N 1.299 -1.618 0 CA-C-N 115.451 -0.795 . . . . 0.0 111.131 -175.35 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 39.3 tt0 -129.35 118.2 21.85 Favored 'General case' 0 C--N 1.295 -1.791 0 N-CA-C 105.277 -2.119 . . . . 0.0 105.277 174.897 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -77.28 89.66 3.72 Favored 'General case' 0 C--N 1.312 -1.053 0 N-CA-C 107.615 -1.254 . . . . 0.0 107.615 177.46 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 29.8 mmmt -65.2 -55.6 17.61 Favored 'General case' 0 C--N 1.317 -0.81 0 CA-C-N 114.137 -1.392 . . . . 0.0 112.07 -174.173 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 14.8 t70 -147.58 165.9 28.97 Favored 'General case' 0 C--N 1.316 -0.86 0 CA-C-N 115.215 -0.902 . . . . 0.0 109.449 -174.963 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 64' ' ' GLN . . . . . 0.532 ' HG2' HG13 ' A' ' 44' ' ' ILE . 73.5 mt-30 -76.35 13.03 1.02 Allowed 'General case' 0 C--N 1.325 -0.484 0 C-N-CA 124.508 1.123 . . . . 0.0 112.859 -173.761 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 65' ' ' ASN . . . . . . . . . . . . . 9.6 p30 -77.65 -20.72 53.3 Favored 'General case' 0 C--O 1.238 0.472 0 N-CA-C 107.502 -1.295 . . . . 0.0 107.502 171.619 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 66' ' ' CYS . . . . . . . . . . . . 0.262 78.3 m 52.23 55.55 9.01 Favored 'General case' 0 N--CA 1.446 -0.667 0 N-CA-C 116.098 1.888 . . . . 0.0 116.098 176.254 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 67' ' ' LYS . . . . . 0.454 ' HA ' ' HE3' ' A' ' 67' ' ' LYS . 0.2 OUTLIER -92.81 154.19 18.41 Favored 'General case' 0 CA--C 1.482 -1.662 0 N-CA-C 106.679 -1.6 . . . . 0.0 106.679 168.314 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 68' ' ' VAL . . . . . . . . . . . . . 6.5 p -79.33 99.44 3.42 Favored 'Isoleucine or valine' 0 C--N 1.286 -2.164 0 CA-C-O 122.637 1.208 . . . . 0.0 109.463 179.805 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 69' ' ' ILE . . . . . . . . . . . . . 82.5 mt -114.15 119.45 61.28 Favored 'Isoleucine or valine' 0 C--N 1.306 -1.315 0 N-CA-C 107.3 -1.37 . . . . 0.0 107.3 -178.735 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 70' ' ' LEU . . . . . 0.823 HD21 ' HB2' ' A' ' 76' ' ' ALA . 3.0 mm? -82.46 153.21 25.76 Favored 'General case' 0 N--CA 1.417 -2.111 0 CA-C-N 114.752 -1.113 . . . . 0.0 109.871 -176.904 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 71' ' ' THR . . . . . 0.423 HG21 ' HG2' ' A' ' 58' ' ' GLU . 37.7 p -62.15 -31.68 72.19 Favored 'General case' 0 C--N 1.293 -1.882 0 CA-C-N 114.563 -1.199 . . . . 0.0 111.827 -178.647 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 72' ' ' ASN . . . . . 0.458 ' H ' HD22 ' A' ' 72' ' ' ASN . 0.0 OUTLIER -103.25 4.3 36.5 Favored 'General case' 0 C--N 1.306 -1.308 0 CA-C-N 114.111 -1.404 . . . . 0.0 110.364 -175.321 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 73' ' ' GLY . . . . . . . . . . . . . . . 83.98 6.44 86.7 Favored Glycine 0 CA--C 1.493 -1.327 0 CA-C-N 113.584 -1.643 . . . . 0.0 111.474 171.249 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 74' ' ' LYS . . . . . 0.471 ' O ' HD23 ' A' ' 70' ' ' LEU . 57.4 mmtt -53.97 161.01 1.31 Allowed 'General case' 0 C--N 1.308 -1.213 0 N-CA-C 115.363 1.616 . . . . 0.0 115.363 179.764 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 75' ' ' GLN . . . . . . . . . . . . . 7.8 tt0 -87.6 128.34 35.27 Favored 'General case' 0 C--N 1.296 -1.723 0 CA-C-N 112.739 -2.028 . . . . 0.0 108.455 176.818 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 76' ' ' ALA . . . . . 0.823 ' HB2' HD21 ' A' ' 70' ' ' LEU . . . -108.05 140.04 21.28 Favored Pre-proline 0 C--N 1.3 -1.564 0 N-CA-C 108.443 -0.947 . . . . 0.0 108.443 176.361 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 77' ' ' PRO . . . . . . . . . . . . . 98.9 Cg_exo -50.09 155.85 4.14 Favored 'Trans proline' 0 C--O 1.239 0.525 0 C-N-CA 124.237 3.291 . . . . 0.0 114.151 178.038 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 78' ' ' ASP . . . . . . . . . . . . . 6.5 m-20 -56.72 -33.88 66.93 Favored 'General case' 0 C--N 1.322 -0.608 0 C-N-CA 125.022 1.329 . . . . 0.0 111.195 -178.212 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 79' ' ' TRP . . . . . 0.49 ' CZ2' ' HD3' ' A' ' 53' ' ' ARG . 64.1 p-90 -80.54 -10.04 59.75 Favored 'General case' 0 C--N 1.317 -0.824 0 N-CA-C 113.033 0.753 . . . . 0.0 113.033 -177.317 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 80' ' ' LEU . . . . . 0.755 HD23 ' HB1' ' A' ' 76' ' ' ALA . 26.3 tp -85.57 107.72 17.62 Favored 'General case' 0 N--CA 1.436 -1.136 0 N-CA-C 108.267 -1.012 . . . . 0.0 108.267 -177.954 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -109.81 157.89 18.71 Favored 'General case' 0 C--N 1.311 -1.107 0 CA-C-O 121.72 0.771 . . . . 0.0 112.361 -175.295 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 82' ' ' ALA . . . . . 0.509 ' HA ' ' O ' ' A' ' 26' ' ' VAL . . . -145.21 138.74 26.71 Favored 'General case' 0 C--N 1.306 -1.325 0 CA-C-N 113.84 -1.527 . . . . 0.0 107.507 175.511 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 9.3 pt-20 -155.06 148.94 18.92 Favored Pre-proline 0 C--N 1.306 -1.298 0 N-CA-C 105.435 -2.061 . . . . 0.0 105.435 176.709 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 84' ' ' PRO . . . . . 0.576 ' HA ' ' O ' ' A' ' 24' ' ' SER . 70.9 Cg_endo -68.91 151.21 73.82 Favored 'Trans proline' 0 CA--C 1.544 0.992 0 CA-C-N 121.05 1.411 . . . . 0.0 112.322 178.469 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 85' ' ' TYR . . . . . 0.402 ' CB ' HG21 ' A' ' 26' ' ' VAL . 0.0 OUTLIER . . . . . 0 C--N 1.316 -0.849 0 N-CA-C 114.919 1.452 . . . . 0.0 114.919 -172.452 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 32.3 t . . . . . 0 C--O 1.234 0.28 0 N-CA-C 108.203 -1.036 . . . . 0.0 108.203 . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . -87.96 121.12 5.8 Favored Glycine 0 N--CA 1.438 -1.179 0 N-CA-C 108.233 -1.947 . . . . 0.0 108.233 175.405 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 20.1 mtp180 -96.27 -178.45 4.31 Favored 'General case' 0 C--N 1.31 -1.145 0 N-CA-C 113.423 0.897 . . . . 0.0 113.423 -176.279 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 10' ' ' GLU . . . . . 0.524 ' H ' ' CD ' ' A' ' 10' ' ' GLU . 2.4 mp0 -29.87 108.69 0.04 OUTLIER 'General case' 0 N--CA 1.474 0.775 0 C-N-CA 127.882 2.473 . . . . 0.0 111.727 -178.576 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 11' ' ' ASN . . . . . . . . . . . . . 51.1 m-20 -83.03 89.75 6.94 Favored 'General case' 0 C--N 1.307 -1.247 0 CA-C-O 121.219 0.533 . . . . 0.0 111.5 176.636 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 12' ' ' LEU . . . . . 0.414 HD23 ' H ' ' A' ' 12' ' ' LEU . 2.6 pt? -119.74 116.61 26.29 Favored 'General case' 0 C--N 1.303 -1.448 0 N-CA-C 108.306 -0.998 . . . . 0.0 108.306 177.668 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 13' ' ' TYR . . . . . . . . . . . . . 26.5 p90 -97.83 100.05 11.4 Favored 'General case' 0 C--N 1.298 -1.649 0 N-CA-C 107.131 -1.433 . . . . 0.0 107.131 174.451 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 14' ' ' PHE . . . . . . . . . . . . . 1.4 t80 -87.91 -179.62 6.27 Favored 'General case' 0 N--CA 1.429 -1.502 0 N-CA-C 107.183 -1.414 . . . . 0.0 107.183 -175.957 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 49.8 mt-30 -78.2 89.17 4.27 Favored 'General case' 0 C--N 1.318 -0.799 0 N-CA-C 114.906 1.447 . . . . 0.0 114.906 -173.201 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . -135.07 134.11 7.12 Favored Glycine 0 N--CA 1.429 -1.806 0 N-CA-C 105.51 -3.036 . . . . 0.0 105.51 174.283 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 17' ' ' HIS . . . . . . . . . . . . . 53.7 m80 -80.56 136.62 36.3 Favored 'General case' 0 C--N 1.303 -1.422 0 N-CA-C 114.241 1.2 . . . . 0.0 114.241 -172.929 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 18' ' ' MET . . . . . . . . . . . . . 54.4 ttp -83.86 161.35 20.92 Favored 'General case' 0 C--N 1.314 -0.973 0 N-CA-C 106.205 -1.776 . . . . 0.0 106.205 175.891 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -64.77 161.24 18.42 Favored 'General case' 0 N--CA 1.435 -1.222 0 C-N-CA 122.674 0.39 . . . . 0.0 110.38 178.141 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -53.65 124.12 40.71 Favored Pre-proline 0 C--N 1.313 -1.02 0 O-C-N 124.714 1.259 . . . . 0.0 110.532 -178.977 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 21' ' ' PRO . . . . . . . . . . . . . 97.7 Cg_exo -47.1 121.89 5.71 Favored 'Trans proline' 0 C--N 1.358 1.047 0 C-N-CA 123.881 3.054 . . . . 0.0 112.065 179.07 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -67.85 29.94 0.02 OUTLIER 'General case' 0 C--N 1.321 -0.668 0 N-CA-C 116.688 2.107 . . . . 0.0 116.688 -172.581 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 23' ' ' ARG . . . . . 0.628 ' C ' HG12 ' A' ' 44' ' ' ILE . 55.3 mtm180 54.83 30.49 13.86 Favored 'General case' 0 C--N 1.311 -1.089 0 C-N-CA 124.025 0.93 . . . . 0.0 113.262 177.054 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 24' ' ' SER . . . . . 0.68 ' O ' ' HA ' ' A' ' 84' ' ' PRO . 72.6 m -159.61 137.5 10.13 Favored 'General case' 0 C--N 1.322 -0.595 0 C-N-CA 123.761 0.825 . . . . 0.0 109.756 177.227 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 25' ' ' CYS . . . . . . . . . . . . . 98.2 m -107.97 131.41 54.58 Favored 'General case' 0 N--CA 1.441 -0.883 0 N-CA-C 104.919 -2.252 . . . . 0.0 104.919 175.457 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 26' ' ' VAL . . . . . 0.646 ' O ' ' HA ' ' A' ' 82' ' ' ALA . 3.1 t -110.06 125.07 67.27 Favored 'Isoleucine or valine' 0 C--N 1.291 -1.961 0 N-CA-C 107.612 -1.255 . . . . 0.0 107.612 -174.218 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 27' ' ' TYR . . . . . 0.404 ' HA ' ' O ' ' A' ' 81' ' ' ALA . 8.3 m-85 -91.05 132.96 35.69 Favored 'General case' 0 C--N 1.299 -1.606 0 O-C-N 124.324 1.015 . . . . 0.0 110.98 -173.96 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 28' ' ' TYR . . . . . 0.53 ' HB3' ' HB3' ' A' ' 36' ' ' ARG . 37.2 m-85 -124.91 167.3 14.87 Favored 'General case' 0 N--CA 1.424 -1.727 0 CA-C-N 114.509 -1.223 . . . . 0.0 109.999 -178.476 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 29' ' ' ASP . . . . . 0.478 ' HB3' ' HB ' ' A' ' 37' ' ' VAL . 2.8 t0 -121.58 102.55 8.3 Favored 'General case' 0 C--N 1.305 -1.351 0 N-CA-C 105.194 -2.15 . . . . 0.0 105.194 177.803 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . -172.31 141.76 6.46 Favored Glycine 0 CA--C 1.486 -1.767 0 C-N-CA 118.931 -1.604 . . . . 0.0 112.627 177.307 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 31' ' ' HIS . . . . . . . . . . . . . 12.9 t-80 -89.59 -25.51 21.28 Favored 'General case' 0 C--N 1.296 -1.75 0 N-CA-C 108.161 -1.052 . . . . 0.0 108.161 176.767 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 11.2 mp -117.83 143.35 32.36 Favored Pre-proline 0 N--CA 1.436 -1.143 0 N-CA-C 107.439 -1.319 . . . . 0.0 107.439 177.795 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 33' ' ' PRO . . . . . . . . . . . . . 18.8 Cg_exo -52.03 -38.06 69.11 Favored 'Trans proline' 0 N--CA 1.461 -0.424 0 C-N-CA 122.868 2.379 . . . . 0.0 110.757 175.268 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -74.79 -18.02 60.53 Favored 'General case' 0 C--N 1.321 -0.665 0 N-CA-C 113.88 1.067 . . . . 0.0 113.88 -177.326 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 34.0 p -108.08 7.26 27.6 Favored 'General case' 0 C--N 1.322 -0.606 0 N-CA-C 112.663 0.616 . . . . 0.0 112.663 -176.006 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 36' ' ' ARG . . . . . 0.53 ' HB3' ' HB3' ' A' ' 28' ' ' TYR . 81.5 mtm180 -65.46 142.5 58.14 Favored 'General case' 0 C--N 1.326 -0.451 0 CA-C-O 121.559 0.695 . . . . 0.0 112.132 -177.652 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 37' ' ' VAL . . . . . 0.478 ' HB ' ' HB3' ' A' ' 29' ' ' ASP . 61.6 t -114.37 137.55 47.33 Favored 'Isoleucine or valine' 0 C--N 1.304 -1.409 0 N-CA-C 105.866 -1.901 . . . . 0.0 105.866 -179.97 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 1.5 tm? -77.46 113.84 15.68 Favored 'General case' 0 C--N 1.311 -1.104 0 N-CA-C 108.492 -0.929 . . . . 0.0 108.492 -177.077 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 92.3 mt -90.76 -61.71 1.61 Allowed 'General case' 0 C--N 1.32 -0.703 0 C-N-CA 120.24 -0.584 . . . . 0.0 111.192 178.984 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 40' ' ' MET . . . . . . . . . . . . . 7.8 ttp -169.72 157.65 7.09 Favored 'General case' 0 N--CA 1.453 -0.279 0 CA-C-O 120.849 0.357 . . . . 0.0 111.32 -178.484 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 41' ' ' TYR . . . . . . . . . . . . . 12.3 m-85 -94.39 133.58 37.82 Favored 'General case' 0 C--N 1.316 -0.859 0 C-N-CA 124.097 0.959 . . . . 0.0 109.623 178.879 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 22.1 t -124.52 112.57 32.71 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.834 0 N-CA-C 109.022 -0.732 . . . . 0.0 109.022 176.857 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 28.8 ttt-85 -60.46 143.6 53.05 Favored 'General case' 0 C--N 1.308 -1.206 0 C-N-CA 123.921 0.888 . . . . 0.0 109.472 178.972 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 44' ' ' ILE . . . . . 0.628 HG12 ' C ' ' A' ' 23' ' ' ARG . 29.7 mm -67.02 121.02 15.32 Favored 'Isoleucine or valine' 0 C--N 1.313 -1.005 0 N-CA-C 107.695 -1.224 . . . . 0.0 107.695 177.212 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . 98.41 15.11 36.08 Favored Glycine 0 C--N 1.291 -1.925 0 N-CA-C 110.257 -1.137 . . . . 0.0 110.257 179.112 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 46' ' ' ASN . . . . . . . . . . . . . 51.0 t30 -129.6 157.99 40.54 Favored 'General case' 0 C--N 1.312 -1.045 0 CA-C-O 121.206 0.526 . . . . 0.0 109.699 -179.772 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 25.5 p -108.42 151.63 25.77 Favored 'General case' 0 C--N 1.292 -1.911 0 CA-C-N 114.926 -1.033 . . . . 0.0 108.909 176.622 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -148.22 147.84 29.84 Favored 'General case' 0 C--N 1.293 -1.873 0 CA-C-N 115.766 -0.652 . . . . 0.0 109.836 179.132 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 6.8 m -108.11 113.47 26.63 Favored 'General case' 0 C--N 1.298 -1.66 0 N-CA-C 107.785 -1.191 . . . . 0.0 107.785 177.44 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 50' ' ' ILE . . . . . 0.559 ' O ' ' HA ' ' A' ' 56' ' ' GLU . 19.9 mm -95.45 119.74 43.91 Favored 'Isoleucine or valine' 0 CA--C 1.498 -1.022 0 CA-C-N 115.205 -0.907 . . . . 0.0 108.716 -172.792 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 5.6 m -96.2 124.63 40.27 Favored 'General case' 0 C--N 1.293 -1.867 0 N-CA-C 107.208 -1.405 . . . . 0.0 107.208 174.436 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -146.24 121.79 10.41 Favored 'General case' 0 C--N 1.307 -1.269 0 N-CA-C 106.542 -1.651 . . . . 0.0 106.542 177.45 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 53' ' ' ARG . . . . . 0.516 ' HG2' ' O ' ' A' ' 53' ' ' ARG . 32.9 ttt180 65.02 24.45 12.59 Favored 'General case' 0 CA--C 1.545 0.782 0 CA-C-O 123.965 1.841 . . . . 0.0 109.851 -178.519 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . 80.48 4.96 90.09 Favored Glycine 0 C--N 1.295 -1.728 0 CA-C-N 114.358 -1.292 . . . . 0.0 112.074 -177.972 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 55' ' ' HIS . . . . . . . . . . . . . 54.4 m-70 -100.08 127.83 46.26 Favored 'General case' 0 C--N 1.32 -0.711 0 N-CA-C 107.873 -1.158 . . . . 0.0 107.873 177.617 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 56' ' ' GLU . . . . . 0.559 ' HA ' ' O ' ' A' ' 50' ' ' ILE . 11.0 mt-10 -97.09 132.27 43.05 Favored 'General case' 0 C--N 1.305 -1.328 0 CA-C-O 121.206 0.526 . . . . 0.0 110.363 176.783 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 57' ' ' PHE . . . . . . . . . . . . . 89.4 m-85 -118.14 113.03 20.95 Favored 'General case' 0 C--N 1.309 -1.172 0 N-CA-C 107.848 -1.167 . . . . 0.0 107.848 178.826 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 58' ' ' GLU . . . . . 0.464 ' HG2' HG21 ' A' ' 71' ' ' THR . 35.7 tt0 -86.0 110.92 19.81 Favored 'General case' 0 N--CA 1.435 -1.214 0 N-CA-C 106.07 -1.826 . . . . 0.0 106.07 177.016 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 59' ' ' VAL . . . . . 0.608 HG12 HD13 ' A' ' 70' ' ' LEU . 20.7 m -112.16 162.57 9.96 Favored 'Isoleucine or valine' 0 C--N 1.299 -1.597 0 CA-C-N 115.531 -0.759 . . . . 0.0 109.728 -178.271 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 60' ' ' GLU . . . . . 0.483 ' HB2' HG22 ' A' ' 71' ' ' THR . 35.5 tt0 -132.6 109.89 10.06 Favored 'General case' 0 C--N 1.291 -1.941 0 N-CA-C 106.403 -1.703 . . . . 0.0 106.403 178.177 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -78.91 88.9 4.7 Favored 'General case' 0 C--N 1.311 -1.066 0 N-CA-C 105.877 -1.898 . . . . 0.0 105.877 175.387 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 7.6 mtmp? -73.0 -45.76 56.06 Favored 'General case' 0 C--N 1.311 -1.072 0 CA-C-N 114.892 -1.049 . . . . 0.0 111.188 -174.721 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 29.3 t70 -144.03 164.43 30.65 Favored 'General case' 0 C--N 1.303 -1.435 0 CA-C-N 114.343 -1.299 . . . . 0.0 109.709 -174.243 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 64' ' ' GLN . . . . . . . . . . . . . 0.8 OUTLIER -66.82 10.75 0.12 Allowed 'General case' 0 N--CA 1.47 0.528 0 C-N-CA 126.155 1.782 . . . . 0.0 114.795 -178.251 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 65' ' ' ASN . . . . . . . . . . . . . 5.0 t-20 -63.34 -38.63 91.89 Favored 'General case' 0 C--N 1.319 -0.74 0 C-N-CA 124.858 1.263 . . . . 0.0 107.768 175.023 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 66' ' ' CYS . . . . . 0.611 ' O ' ' HB3' ' A' ' 82' ' ' ALA 0.252 82.8 m 59.49 25.46 14.26 Favored 'General case' 0 C--N 1.326 -0.416 0 N-CA-C 115.73 1.752 . . . . 0.0 115.73 178.799 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 5.1 mptp? -78.29 156.54 29.6 Favored 'General case' 0 C--N 1.294 -1.814 0 N-CA-C 108.027 -1.101 . . . . 0.0 108.027 167.881 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 68' ' ' VAL . . . . . 0.489 HG21 HD23 ' A' ' 80' ' ' LEU . 6.1 p -73.06 108.36 4.33 Favored 'Isoleucine or valine' 0 C--N 1.286 -2.164 0 CA-C-N 115.152 -0.931 . . . . 0.0 108.824 178.145 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 69' ' ' ILE . . . . . . . . . . . . . 97.0 mt -121.48 118.64 56.57 Favored 'Isoleucine or valine' 0 C--N 1.303 -1.44 0 N-CA-C 107.196 -1.409 . . . . 0.0 107.196 177.9 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 70' ' ' LEU . . . . . 0.809 HD21 ' HB2' ' A' ' 76' ' ' ALA . 3.2 mm? -81.92 157.0 24.48 Favored 'General case' 0 N--CA 1.425 -1.693 0 CA-C-N 115.244 -0.889 . . . . 0.0 109.489 -179.625 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 71' ' ' THR . . . . . 0.483 HG22 ' HB2' ' A' ' 60' ' ' GLU . 50.5 p -69.79 -22.7 63.3 Favored 'General case' 0 C--N 1.283 -2.285 0 CA-C-N 114.227 -1.351 . . . . 0.0 111.361 177.25 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 72' ' ' ASN . . . . . 0.467 ' HB2' ' HG2' ' A' ' 74' ' ' LYS . 44.0 m-80 -94.95 -6.32 42.72 Favored 'General case' 0 C--N 1.315 -0.921 0 CA-C-N 114.912 -1.04 . . . . 0.0 109.283 -179.344 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 73' ' ' GLY . . . . . . . . . . . . . . . 79.32 20.79 68.66 Favored Glycine 0 CA--C 1.502 -0.776 0 CA-C-O 122.398 0.999 . . . . 0.0 110.686 175.407 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 74' ' ' LYS . . . . . 0.469 ' O ' HD23 ' A' ' 70' ' ' LEU . 30.1 mmmt -76.24 164.03 26.46 Favored 'General case' 0 N--CA 1.425 -1.71 0 CA-C-N 113.604 -1.298 . . . . 0.0 110.524 -176.961 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 75' ' ' GLN . . . . . . . . . . . . . 17.9 mp0 -94.74 126.46 40.06 Favored 'General case' 0 C--N 1.291 -1.968 0 CA-C-N 114.745 -1.116 . . . . 0.0 108.008 174.051 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 76' ' ' ALA . . . . . 0.809 ' HB2' HD21 ' A' ' 70' ' ' LEU . . . -103.96 159.49 29.14 Favored Pre-proline 0 C--N 1.298 -1.658 0 N-CA-C 107.977 -1.119 . . . . 0.0 107.977 179.57 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 77' ' ' PRO . . . . . . . . . . . . . 1.9 Cg_endo -45.38 146.44 3.16 Favored 'Trans proline' 0 C--N 1.347 0.488 0 C-N-CA 124.191 3.261 . . . . 0.0 113.934 176.762 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 78' ' ' ASP . . . . . . . . . . . . . 32.3 t70 -68.01 -22.34 64.99 Favored 'General case' 0 C--N 1.321 -0.638 0 CA-C-O 121.664 0.745 . . . . 0.0 111.239 -178.072 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 79' ' ' TRP . . . . . . . . . . . . . 52.1 p-90 -80.94 -8.65 59.8 Favored 'General case' 0 C--N 1.323 -0.562 0 CA-C-N 115.814 -0.63 . . . . 0.0 111.848 177.609 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 80' ' ' LEU . . . . . 0.53 HD23 ' HB1' ' A' ' 76' ' ' ALA . 23.2 tp -84.45 103.54 13.69 Favored 'General case' 0 N--CA 1.435 -1.192 0 N-CA-C 107.851 -1.166 . . . . 0.0 107.851 -179.872 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 81' ' ' ALA . . . . . 0.404 ' O ' ' HA ' ' A' ' 27' ' ' TYR . . . -111.35 170.01 8.41 Favored 'General case' 0 CA--C 1.499 -1.016 0 CA-C-N 115.279 -0.873 . . . . 0.0 111.77 -174.147 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 82' ' ' ALA . . . . . 0.646 ' HA ' ' O ' ' A' ' 26' ' ' VAL . . . -158.32 137.21 11.34 Favored 'General case' 0 C--N 1.308 -1.233 0 CA-C-N 114.436 -1.256 . . . . 0.0 110.061 175.276 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 83' ' ' GLU . . . . . 0.401 ' HG2' ' CE2' ' A' ' 28' ' ' TYR . 12.3 pt-20 -138.47 146.99 53.4 Favored Pre-proline 0 C--N 1.307 -1.268 0 N-CA-C 105.325 -2.102 . . . . 0.0 105.325 176.989 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 84' ' ' PRO . . . . . 0.68 ' HA ' ' O ' ' A' ' 24' ' ' SER . 73.9 Cg_endo -67.06 135.25 36.84 Favored 'Trans proline' 0 N--CA 1.448 -1.178 0 CA-C-N 120.695 1.284 . . . . 0.0 109.8 176.702 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 85' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 C--O 1.249 1.028 0 O-C-N 124.405 1.065 . . . . 0.0 113.387 -172.464 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 9.1 m . . . . . 0 CA--C 1.536 0.436 0 CA-C-O 120.587 0.232 . . . . 0.0 110.798 . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . -74.39 -179.56 41.45 Favored Glycine 0 N--CA 1.438 -1.205 0 N-CA-C 110.747 -0.941 . . . . 0.0 110.747 177.743 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 16.1 ptt180 -134.38 143.01 47.37 Favored 'General case' 0 C--N 1.303 -1.456 0 CA-C-O 122.217 1.008 . . . . 0.0 113.201 -177.379 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 9.3 pt-20 -149.77 146.12 27.01 Favored 'General case' 0 C--N 1.301 -1.529 0 N-CA-C 105.65 -1.982 . . . . 0.0 105.65 175.409 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 11' ' ' ASN . . . . . . . . . . . . . 28.2 t-20 -93.42 89.68 6.43 Favored 'General case' 0 C--N 1.3 -1.554 0 N-CA-C 108.377 -0.972 . . . . 0.0 108.377 177.611 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 12' ' ' LEU . . . . . 0.611 HD23 ' H ' ' A' ' 12' ' ' LEU . 2.3 pt? -92.5 90.11 7.03 Favored 'General case' 0 C--N 1.305 -1.338 0 CA-C-O 123.503 1.621 . . . . 0.0 107.115 177.479 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 13' ' ' TYR . . . . . . . . . . . . . 33.7 t80 -88.88 89.91 8.19 Favored 'General case' 0 C--N 1.289 -2.031 0 CA-C-N 113.857 -1.52 . . . . 0.0 109.375 -173.898 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 14' ' ' PHE . . . . . . . . . . . . . 76.4 m-85 -122.41 88.25 2.9 Favored 'General case' 0 C--N 1.308 -1.238 0 CA-C-N 115.405 -0.816 . . . . 0.0 109.543 175.011 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 15' ' ' GLN . . . . . 0.465 ' CG ' ' HE2' ' A' ' 62' ' ' LYS . 13.7 mp0 -150.78 89.15 1.52 Allowed 'General case' 0 C--N 1.311 -1.084 0 N-CA-C 103.718 -2.697 . . . . 0.0 103.718 171.84 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . -110.49 -179.79 20.48 Favored Glycine 0 C--N 1.3 -1.439 0 C-N-CA 119.367 -1.397 . . . . 0.0 114.852 -175.403 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 17' ' ' HIS . . . . . . . . . . . . . 76.3 m80 -134.86 102.95 5.42 Favored 'General case' 0 C--N 1.32 -0.68 0 N-CA-C 107.446 -1.316 . . . . 0.0 107.446 179.022 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 18' ' ' MET . . . . . . . . . . . . . 23.4 ttt -150.74 161.84 41.85 Favored 'General case' 0 C--N 1.307 -1.241 0 N-CA-C 107.235 -1.394 . . . . 0.0 107.235 -177.947 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -68.5 93.67 0.51 Allowed 'General case' 0 N--CA 1.45 -0.443 0 N-CA-C 103.09 -2.93 . . . . 0.0 103.09 165.554 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -95.42 165.08 17.49 Favored Pre-proline 0 C--N 1.294 -1.833 0 CA-C-N 114.424 -1.262 . . . . 0.0 112.714 -166.87 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 21' ' ' PRO . . . . . 0.403 ' HD2' ' HB2' ' A' ' 64' ' ' GLN . 66.9 Cg_exo -47.14 175.86 0.02 OUTLIER 'Trans proline' 0 C--N 1.353 0.809 0 C-N-CA 123.354 2.702 . . . . 0.0 111.962 166.908 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -61.52 28.14 0.01 OUTLIER 'General case' 0 C--N 1.305 -1.327 0 N-CA-C 119.696 3.221 . . . . 0.0 119.696 -168.294 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 23' ' ' ARG . . . . . 0.406 ' HA ' HD12 ' A' ' 44' ' ' ILE . 39.4 ttp-105 45.12 39.64 4.12 Favored 'General case' 0 C--N 1.312 -1.031 0 C-N-CA 126.267 1.827 . . . . 0.0 112.711 174.114 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 24' ' ' SER . . . . . 0.734 ' O ' ' HA ' ' A' ' 84' ' ' PRO . 24.5 m -144.3 131.66 20.84 Favored 'General case' 0 C--N 1.319 -0.752 0 O-C-N 121.564 -0.71 . . . . 0.0 109.367 -179.597 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 25' ' ' CYS . . . . . . . . . . . . . 93.1 m -108.63 130.39 55.32 Favored 'General case' 0 N--CA 1.431 -1.423 0 N-CA-C 106.932 -1.507 . . . . 0.0 106.932 175.074 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 26' ' ' VAL . . . . . 0.694 HG21 ' HB2' ' A' ' 85' ' ' TYR . 12.2 t -112.43 119.07 59.39 Favored 'Isoleucine or valine' 0 C--N 1.291 -1.969 0 N-CA-C 106.991 -1.485 . . . . 0.0 106.991 -174.125 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 27' ' ' TYR . . . . . 0.448 ' HA ' ' O ' ' A' ' 81' ' ' ALA . 42.4 m-85 -92.64 129.25 38.62 Favored 'General case' 0 C--N 1.3 -1.571 0 O-C-N 124.367 1.042 . . . . 0.0 111.425 -173.677 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 28' ' ' TYR . . . . . 0.49 ' HA ' ' O ' ' A' ' 37' ' ' VAL . 95.9 m-85 -123.74 138.2 54.56 Favored 'General case' 0 N--CA 1.421 -1.876 0 CA-C-N 114.947 -1.024 . . . . 0.0 110.251 -179.895 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 29' ' ' ASP . . . . . 0.479 ' HB3' ' HB ' ' A' ' 37' ' ' VAL . 4.3 t0 -93.58 102.06 14.25 Favored 'General case' 0 C--N 1.299 -1.621 0 N-CA-C 107.527 -1.286 . . . . 0.0 107.527 174.21 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 30' ' ' GLY . . . . . 0.517 ' O ' ' HA ' ' A' ' 79' ' ' TRP . . . -170.93 128.57 1.64 Allowed Glycine 0 CA--C 1.467 -2.949 0 C-N-CA 119.523 -1.322 . . . . 0.0 110.89 178.241 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 31' ' ' HIS . . . . . . . . . . . . . 4.9 t-80 -78.48 -19.33 53.3 Favored 'General case' 0 C--N 1.29 -2.007 0 N-CA-C 106.778 -1.564 . . . . 0.0 106.778 -179.757 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 8.6 mp -130.74 143.37 49.08 Favored Pre-proline 0 N--CA 1.429 -1.48 0 N-CA-C 106.198 -1.779 . . . . 0.0 106.198 177.074 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 33' ' ' PRO . . . . . 0.608 ' O ' ' HD2' ' A' ' 36' ' ' ARG . 22.7 Cg_endo -66.83 -7.24 17.78 Favored 'Trans proline' 0 CA--C 1.537 0.651 0 C-N-CA 122.522 2.148 . . . . 0.0 111.071 174.271 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -74.83 -54.04 8.03 Favored 'General case' 0 C--N 1.321 -0.642 0 CA-C-O 121.041 0.448 . . . . 0.0 110.552 175.021 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 5.7 p -97.54 22.58 8.73 Favored 'General case' 0 C--N 1.318 -0.765 0 N-CA-C 113.853 1.057 . . . . 0.0 113.853 -173.882 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 36' ' ' ARG . . . . . 0.608 ' HD2' ' O ' ' A' ' 33' ' ' PRO . 0.0 OUTLIER -65.34 153.75 40.28 Favored 'General case' 0 CA--C 1.544 0.75 0 N-CA-C 112.554 0.576 . . . . 0.0 112.554 -178.87 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 37' ' ' VAL . . . . . 0.49 ' O ' ' HA ' ' A' ' 28' ' ' TYR . 60.5 t -131.96 141.85 44.45 Favored 'Isoleucine or valine' 0 C--O 1.216 -0.707 0 N-CA-C 107.054 -1.461 . . . . 0.0 107.054 -179.213 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 53.9 tp -73.84 123.19 23.72 Favored 'General case' 0 C--N 1.306 -1.285 0 C-N-CA 120.119 -0.632 . . . . 0.0 109.889 177.003 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 95.7 mt -91.17 -60.86 1.79 Allowed 'General case' 0 C--N 1.304 -1.406 0 N-CA-C 109.166 -0.679 . . . . 0.0 109.166 173.929 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 40' ' ' MET . . . . . . . . . . . . . 21.2 ptp -172.52 169.54 5.11 Favored 'General case' 0 CA--C 1.508 -0.654 0 CA-C-O 121.49 0.662 . . . . 0.0 111.782 -176.622 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 41' ' ' TYR . . . . . . . . . . . . . 50.8 m-85 -107.69 130.34 54.94 Favored 'General case' 0 C--N 1.307 -1.241 0 CA-C-N 113.699 -1.592 . . . . 0.0 108.903 176.154 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 42.3 t -118.42 134.8 60.88 Favored 'Isoleucine or valine' 0 C--N 1.305 -1.331 0 N-CA-C 106.354 -1.721 . . . . 0.0 106.354 176.364 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 43' ' ' ARG . . . . . 0.404 ' HD2' ' HA ' ' A' ' 43' ' ' ARG . 11.4 tpt180 -81.56 129.92 34.86 Favored 'General case' 0 C--N 1.303 -1.414 0 N-CA-C 106.731 -1.581 . . . . 0.0 106.731 -178.815 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 44' ' ' ILE . . . . . 0.406 HD12 ' HA ' ' A' ' 23' ' ' ARG . 55.5 mt -57.4 120.54 3.79 Favored 'Isoleucine or valine' 0 C--N 1.315 -0.92 0 CA-C-O 122.359 1.076 . . . . 0.0 112.538 -179.918 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . 125.69 -26.4 5.42 Favored Glycine 0 N--CA 1.428 -1.851 0 CA-C-N 112.777 -2.01 . . . . 0.0 108.893 -179.572 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 46' ' ' ASN . . . . . . . . . . . . . 62.9 t30 -101.31 166.24 10.86 Favored 'General case' 0 C--N 1.319 -0.731 0 CA-C-O 122.082 0.944 . . . . 0.0 112.421 -171.661 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 13.3 p -104.28 160.97 14.45 Favored 'General case' 0 C--N 1.297 -1.682 0 CA-C-N 114.01 -1.45 . . . . 0.0 109.724 179.019 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -157.83 146.3 19.12 Favored 'General case' 0 C--N 1.305 -1.335 0 CA-C-N 115.938 -0.574 . . . . 0.0 111.316 176.699 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 4.9 m -99.06 108.83 21.59 Favored 'General case' 0 C--N 1.313 -1.016 0 N-CA-C 107.515 -1.291 . . . . 0.0 107.515 177.758 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 50' ' ' ILE . . . . . . . . . . . . . 6.9 mm -96.85 110.53 25.06 Favored 'Isoleucine or valine' 0 C--N 1.307 -1.274 0 N-CA-C 108.571 -0.9 . . . . 0.0 108.571 -177.608 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 51' ' ' THR . . . . . 0.461 ' HA ' ' O ' ' A' ' 55' ' ' HIS . 66.8 m -92.06 124.73 36.38 Favored 'General case' 0 C--N 1.3 -1.584 0 C-N-CA 117.895 -1.522 . . . . 0.0 108.207 172.531 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -146.41 123.21 11.26 Favored 'General case' 0 C--N 1.303 -1.433 0 N-CA-C 107.118 -1.438 . . . . 0.0 107.118 177.757 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 53' ' ' ARG . . . . . . . . . . . . . 79.3 mtt85 62.77 23.37 13.93 Favored 'General case' 0 N--CA 1.476 0.855 0 C-N-CA 124.025 0.93 . . . . 0.0 111.019 -177.799 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . 79.69 12.93 83.06 Favored Glycine 0 N--CA 1.443 -0.867 0 CA-C-N 115.058 -0.974 . . . . 0.0 112.539 -177.562 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 55' ' ' HIS . . . . . 0.461 ' O ' ' HA ' ' A' ' 51' ' ' THR . 6.9 m170 -103.6 127.46 51.03 Favored 'General case' 0 CA--C 1.508 -0.665 0 N-CA-C 106.526 -1.657 . . . . 0.0 106.526 176.587 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 3.1 mp0 -90.26 116.61 28.37 Favored 'General case' 0 C--N 1.31 -1.146 0 N-CA-C 109.343 -0.614 . . . . 0.0 109.343 170.985 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 57' ' ' PHE . . . . . 0.459 ' HB3' HD11 ' A' ' 70' ' ' LEU . 98.6 m-85 -104.49 105.37 15.45 Favored 'General case' 0 N--CA 1.425 -1.696 0 N-CA-C 105.182 -2.155 . . . . 0.0 105.182 175.772 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 21.0 tt0 -96.56 110.26 22.7 Favored 'General case' 0 C--N 1.297 -1.703 0 C-N-CA 117.885 -1.526 . . . . 0.0 107.294 -179.161 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 59' ' ' VAL . . . . . 0.591 HG12 HD13 ' A' ' 70' ' ' LEU . 35.5 m -107.43 169.44 2.85 Favored 'Isoleucine or valine' 0 C--N 1.301 -1.532 0 CA-C-N 114.271 -1.331 . . . . 0.0 110.886 -173.799 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 41.9 tt0 -131.2 103.5 6.52 Favored 'General case' 0 N--CA 1.417 -2.097 0 N-CA-C 104.928 -2.249 . . . . 0.0 104.928 172.668 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -78.03 88.17 4.17 Favored 'General case' 0 C--N 1.313 -0.98 0 N-CA-C 106.114 -1.809 . . . . 0.0 106.114 179.149 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 62' ' ' LYS . . . . . 0.465 ' HE2' ' CG ' ' A' ' 15' ' ' GLN . 13.5 ptmt -96.83 -24.86 15.69 Favored 'General case' 0 C--N 1.298 -1.65 0 N-CA-C 117.541 2.423 . . . . 0.0 117.541 -172.802 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 21.9 t70 -135.38 159.4 41.68 Favored 'General case' 0 C--N 1.314 -0.971 0 C-N-CA 119.268 -0.973 . . . . 0.0 110.654 -175.307 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 64' ' ' GLN . . . . . 0.403 ' HB2' ' HD2' ' A' ' 21' ' ' PRO . 18.4 pt20 -58.56 -20.15 44.18 Favored 'General case' 0 N--CA 1.467 0.419 0 C-N-CA 126.298 1.839 . . . . 0.0 113.292 -178.863 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 65' ' ' ASN . . . . . . . . . . . . . 36.5 m-80 -74.57 -18.05 60.63 Favored 'General case' 0 C--N 1.319 -0.761 0 N-CA-C 109.351 -0.611 . . . . 0.0 109.351 179.957 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 66' ' ' CYS . . . . . . . . . . . . . 99.0 m 53.5 40.79 31.87 Favored 'General case' 0 CA--C 1.51 -0.589 0 CA-C-O 122.336 1.065 . . . . 0.0 111.877 -179.882 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 67' ' ' LYS . . . . . 0.499 ' HA ' ' HE3' ' A' ' 67' ' ' LYS . 0.1 OUTLIER -64.36 134.39 54.52 Favored 'General case' 0 N--CA 1.415 -2.192 0 N-CA-C 105.5 -2.037 . . . . 0.0 105.5 174.249 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 68' ' ' VAL . . . . . . . . . . . . . 6.2 p -77.24 99.51 2.38 Favored 'Isoleucine or valine' 0 C--N 1.295 -1.769 0 CA-C-O 122.292 1.044 . . . . 0.0 109.107 -179.872 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 69' ' ' ILE . . . . . . . . . . . . . 83.0 mt -115.63 118.37 58.56 Favored 'Isoleucine or valine' 0 N--CA 1.427 -1.622 0 N-CA-C 106.641 -1.615 . . . . 0.0 106.641 -179.944 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 70' ' ' LEU . . . . . 0.788 HD21 ' HB2' ' A' ' 76' ' ' ALA . 3.2 mm? -81.22 138.61 35.79 Favored 'General case' 0 N--CA 1.42 -1.975 0 CA-C-N 114.272 -1.331 . . . . 0.0 110.049 178.442 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 71' ' ' THR . . . . . . . . . . . . . 6.2 t -83.36 0.39 46.17 Favored 'General case' 0 C--N 1.287 -2.13 0 CA-C-N 113.477 -1.692 . . . . 0.0 108.912 -175.883 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 72' ' ' ASN . . . . . . . . . . . . . 87.1 m-20 -96.27 -2.98 44.88 Favored 'General case' 0 C--O 1.235 0.295 0 CA-C-N 114.31 -1.314 . . . . 0.0 109.073 177.363 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 73' ' ' GLY . . . . . . . . . . . . . . . 85.72 24.92 40.3 Favored Glycine 0 CA--C 1.498 -1.021 0 N-CA-C 109.843 -1.303 . . . . 0.0 109.843 177.619 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 43.6 mmtm -106.4 165.9 10.93 Favored 'General case' 0 N--CA 1.43 -1.459 0 CA-C-N 113.929 -1.135 . . . . 0.0 109.812 -177.758 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 75' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -118.51 145.88 44.97 Favored 'General case' 0 C--N 1.302 -1.471 0 N-CA-C 103.016 -2.957 . . . . 0.0 103.016 174.82 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 76' ' ' ALA . . . . . 0.788 ' HB2' HD21 ' A' ' 70' ' ' LEU . . . -108.22 156.75 37.89 Favored Pre-proline 0 C--N 1.311 -1.089 0 CA-C-N 118.89 0.768 . . . . 0.0 111.988 -173.59 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 77' ' ' PRO . . . . . 0.405 ' HB2' ' CD1' ' A' ' 79' ' ' TRP . 37.0 Cg_exo -60.8 164.89 12.83 Favored 'Trans proline' 0 C--N 1.356 0.972 0 C-N-CA 123.408 2.739 . . . . 0.0 112.409 178.589 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 78' ' ' ASP . . . . . . . . . . . . . 19.9 m-20 -59.63 -31.17 69.26 Favored 'General case' 0 CA--C 1.509 -0.607 0 C-N-CA 123.66 0.784 . . . . 0.0 111.541 -177.025 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 79' ' ' TRP . . . . . 0.517 ' HA ' ' O ' ' A' ' 30' ' ' GLY . 68.5 p-90 -72.22 -14.31 61.76 Favored 'General case' 0 N--CA 1.441 -0.908 0 N-CA-C 113.215 0.82 . . . . 0.0 113.215 -178.037 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 80' ' ' LEU . . . . . 0.423 HD12 ' HA ' ' A' ' 80' ' ' LEU . 30.6 tp -92.75 100.21 12.74 Favored 'General case' 0 N--CA 1.43 -1.46 0 C-N-CA 118.556 -1.257 . . . . 0.0 108.094 178.137 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 81' ' ' ALA . . . . . 0.448 ' O ' ' HA ' ' A' ' 27' ' ' TYR . . . -103.9 160.55 14.71 Favored 'General case' 0 C--N 1.306 -1.297 0 CA-C-N 115.376 -0.829 . . . . 0.0 111.594 -176.34 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 82' ' ' ALA . . . . . 0.577 ' HA ' ' O ' ' A' ' 26' ' ' VAL . . . -154.03 131.21 11.11 Favored 'General case' 0 C--N 1.31 -1.141 0 CA-C-N 114.489 -1.232 . . . . 0.0 109.144 177.086 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 7.5 pt-20 -144.5 146.47 32.66 Favored Pre-proline 0 C--O 1.213 -0.835 0 N-CA-C 108.743 -0.836 . . . . 0.0 108.743 179.618 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 84' ' ' PRO . . . . . 0.734 ' HA ' ' O ' ' A' ' 24' ' ' SER . 18.0 Cg_endo -61.48 132.63 41.68 Favored 'Trans proline' 0 C--O 1.243 0.77 0 C-N-CA 123.266 2.644 . . . . 0.0 114.792 174.027 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 85' ' ' TYR . . . . . 0.694 ' HB2' HG21 ' A' ' 26' ' ' VAL . 10.4 t80 . . . . . 0 C--O 1.249 1.078 0 N-CA-C 105.834 -1.913 . . . . 0.0 105.834 170.215 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 16.2 m . . . . . 0 N--CA 1.442 -0.833 0 N-CA-C 108.32 -0.993 . . . . 0.0 108.32 . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . -100.86 155.17 19.27 Favored Glycine 0 N--CA 1.428 -1.837 0 N-CA-C 107.921 -2.071 . . . . 0.0 107.921 176.735 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 9' ' ' ARG . . . . . 0.487 ' HD2' ' N ' ' A' ' 9' ' ' ARG . 3.6 mpt_? -99.07 97.4 8.54 Favored 'General case' 0 C--N 1.301 -1.539 0 CA-C-O 121.418 0.627 . . . . 0.0 111.236 -177.669 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 29.9 tt0 -72.22 149.65 44.4 Favored 'General case' 0 C--N 1.312 -1.028 0 N-CA-C 105.776 -1.935 . . . . 0.0 105.776 177.166 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 11' ' ' ASN . . . . . . . . . . . . . 44.4 m-80 -58.78 112.5 1.66 Allowed 'General case' 0 CA--C 1.505 -0.783 0 CA-C-O 121.054 0.454 . . . . 0.0 110.19 -177.503 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 4.4 pp -75.3 154.36 37.43 Favored 'General case' 0 N--CA 1.434 -1.257 0 CA-C-N 114.782 -1.099 . . . . 0.0 112.595 -172.402 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 13' ' ' TYR . . . . . . . . . . . . . 87.4 m-85 -134.33 147.23 50.52 Favored 'General case' 0 C--N 1.292 -1.914 0 N-CA-C 104.529 -2.397 . . . . 0.0 104.529 178.923 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 14' ' ' PHE . . . . . . . . . . . . 0.259 66.5 m-85 -74.22 122.85 23.46 Favored 'General case' 0 C--N 1.302 -1.495 0 C-N-CA 118.941 -1.104 . . . . 0.0 111.058 -177.142 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 46.6 mt-30 -63.96 133.91 54.09 Favored 'General case' 0 N--CA 1.436 -1.164 0 CA-C-N 112.813 -1.994 . . . . 0.0 112.415 -173.065 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . -63.33 -179.69 5.32 Favored Glycine 0 N--CA 1.448 -0.535 0 CA-C-N 113.726 -1.579 . . . . 0.0 112.277 177.425 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 17' ' ' HIS . . . . . . . . . . . . . 69.1 m-70 -29.61 108.26 0.04 OUTLIER 'General case' 0 N--CA 1.478 0.965 0 C-N-CA 125.842 1.657 . . . . 0.0 115.122 -171.831 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 18' ' ' MET . . . . . . . . . . . . . 71.2 mmm -84.06 178.36 7.88 Favored 'General case' 0 C--O 1.245 0.819 0 CA-C-N 113.898 -1.501 . . . . 0.0 106.957 179.61 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 19' ' ' ALA . . . . . 0.416 ' HB3' ' O ' ' A' ' 84' ' ' PRO . . . -73.97 178.54 4.88 Favored 'General case' 0 C--N 1.303 -1.448 0 N-CA-C 114.17 1.174 . . . . 0.0 114.17 -176.487 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -93.57 141.88 24.45 Favored Pre-proline 0 C--N 1.312 -1.038 0 CA-C-N 114.627 -1.17 . . . . 0.0 111.129 -177.436 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 21' ' ' PRO . . . . . . . . . . . . . 98.8 Cg_exo -49.18 118.08 3.32 Favored 'Trans proline' 0 C--N 1.361 1.186 0 C-N-CA 124.134 3.222 . . . . 0.0 113.471 179.472 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -136.48 32.73 2.78 Favored 'General case' 0 C--N 1.326 -0.456 0 CA-C-N 115.439 -0.801 . . . . 0.0 112.576 -172.45 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 23' ' ' ARG . . . . . 0.614 ' C ' HG12 ' A' ' 44' ' ' ILE . 18.4 mmt180 58.54 26.06 13.89 Favored 'General case' 0 C--N 1.317 -0.807 0 N-CA-C 115.557 1.688 . . . . 0.0 115.557 177.993 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 24' ' ' SER . . . . . 0.653 ' O ' ' HA ' ' A' ' 84' ' ' PRO . 68.0 m -158.31 136.25 10.6 Favored 'General case' 0 C--N 1.299 -1.607 0 N-CA-C 107.979 -1.119 . . . . 0.0 107.979 174.274 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 25' ' ' CYS . . . . . . . . . . . . . 96.5 m -107.55 131.17 54.63 Favored 'General case' 0 N--CA 1.437 -1.124 0 N-CA-C 104.077 -2.564 . . . . 0.0 104.077 175.436 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 26' ' ' VAL . . . . . 0.592 ' O ' ' HA ' ' A' ' 82' ' ' ALA . 3.5 t -111.51 124.27 68.12 Favored 'Isoleucine or valine' 0 C--N 1.284 -2.267 0 N-CA-C 107.322 -1.362 . . . . 0.0 107.322 -172.811 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 27' ' ' TYR . . . . . 0.48 ' HA ' ' O ' ' A' ' 81' ' ' ALA . 15.7 m-85 -94.71 130.42 41.23 Favored 'General case' 0 C--N 1.295 -1.788 0 O-C-N 124.41 1.068 . . . . 0.0 110.355 -173.689 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 28' ' ' TYR . . . . . 0.414 ' HA ' ' O ' ' A' ' 37' ' ' VAL . 84.6 m-85 -127.41 153.76 45.86 Favored 'General case' 0 N--CA 1.422 -1.86 0 CA-C-N 114.249 -1.341 . . . . 0.0 110.381 -177.188 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 29' ' ' ASP . . . . . 0.456 ' HB3' ' HB ' ' A' ' 37' ' ' VAL . 3.4 t70 -94.76 103.97 15.88 Favored 'General case' 0 C--N 1.293 -1.885 0 N-CA-C 103.418 -2.808 . . . . 0.0 103.418 170.125 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . -144.03 127.77 3.1 Favored Glycine 0 CA--C 1.484 -1.846 0 C-N-CA 118.294 -1.907 . . . . 0.0 114.14 -176.439 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 31' ' ' HIS . . . . . . . . . . . . . 63.8 m80 -102.74 -39.88 6.83 Favored 'General case' 0 C--N 1.292 -1.9 0 CA-C-N 112.652 -1.774 . . . . 0.0 108.65 179.818 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 32' ' ' LEU . . . . . 0.524 ' HB3' ' OG1' ' A' ' 35' ' ' THR . 8.2 tt -131.29 149.05 72.53 Favored Pre-proline 0 N--CA 1.42 -1.969 0 N-CA-C 104.219 -2.511 . . . . 0.0 104.219 -179.211 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 33' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -54.41 -13.99 6.22 Favored 'Trans proline' 0 N--CA 1.492 1.409 0 C-N-CA 124.279 3.32 . . . . 0.0 116.563 -176.169 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -95.0 -25.43 16.5 Favored 'General case' 0 C--N 1.31 -1.137 0 CA-C-O 122.114 0.959 . . . . 0.0 110.359 179.202 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 35' ' ' THR . . . . . 0.524 ' OG1' ' HB3' ' A' ' 32' ' ' LEU . 0.2 OUTLIER -95.27 7.53 45.89 Favored 'General case' 0 C--N 1.304 -1.4 0 CA-C-N 115.019 -0.991 . . . . 0.0 113.2 -169.724 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 9.7 ptt180 -64.86 110.99 2.61 Favored 'General case' 0 C--N 1.322 -0.611 0 CA-C-O 121.541 0.686 . . . . 0.0 111.81 178.353 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 37' ' ' VAL . . . . . 0.456 ' HB ' ' HB3' ' A' ' 29' ' ' ASP . 40.2 t -94.92 129.78 44.62 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.821 0 N-CA-C 107.815 -1.18 . . . . 0.0 107.815 -175.923 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 2.7 tm? -69.69 108.02 3.71 Favored 'General case' 0 C--N 1.311 -1.09 0 O-C-N 123.863 0.727 . . . . 0.0 109.151 -177.518 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 92.8 mt -91.55 -61.06 1.72 Allowed 'General case' 0 C--N 1.318 -0.768 0 CA-C-O 121.068 0.461 . . . . 0.0 111.348 177.746 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 40' ' ' MET . . . . . . . . . . . . . 56.7 tpp -156.28 143.34 18.94 Favored 'General case' 0 C--N 1.322 -0.613 0 CA-C-N 116.048 -0.524 . . . . 0.0 111.973 -173.281 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 41' ' ' TYR . . . . . . . . . . . . . 84.8 m-85 -93.29 125.43 37.89 Favored 'General case' 0 C--N 1.316 -0.848 0 N-CA-C 107.303 -1.369 . . . . 0.0 107.303 171.681 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 36.0 t -119.02 116.96 52.66 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.836 0 N-CA-C 108.927 -0.768 . . . . 0.0 108.927 178.624 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 29.6 ttt-85 -67.67 144.55 55.44 Favored 'General case' 0 C--N 1.315 -0.904 0 N-CA-C 108.539 -0.911 . . . . 0.0 108.539 179.375 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 44' ' ' ILE . . . . . 0.614 HG12 ' C ' ' A' ' 23' ' ' ARG . 48.3 mm -65.31 123.85 19.04 Favored 'Isoleucine or valine' 0 C--N 1.31 -1.132 0 N-CA-C 107.881 -1.155 . . . . 0.0 107.881 177.288 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . 105.64 7.06 37.32 Favored Glycine 0 C--N 1.295 -1.749 0 CA-C-N 114.466 -1.243 . . . . 0.0 110.186 178.824 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 46' ' ' ASN . . . . . . . . . . . . . 54.2 t30 -127.89 159.9 33.48 Favored 'General case' 0 C--N 1.312 -1.048 0 CA-C-O 121.64 0.733 . . . . 0.0 110.218 -178.157 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 42.2 p -110.85 154.55 23.85 Favored 'General case' 0 C--N 1.292 -1.899 0 N-CA-C 107.7 -1.222 . . . . 0.0 107.7 177.252 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -147.06 124.73 11.8 Favored 'General case' 0 C--N 1.296 -1.759 0 C-N-CA 119.941 -0.704 . . . . 0.0 112.369 -179.64 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 3.6 m -67.7 99.94 0.85 Allowed 'General case' 0 C--N 1.301 -1.513 0 CA-C-N 113.621 -1.627 . . . . 0.0 108.925 172.459 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 50' ' ' ILE . . . . . . . . . . . . . 36.9 mm -96.24 110.37 24.47 Favored 'Isoleucine or valine' 0 C--N 1.309 -1.179 0 N-CA-C 108.272 -1.01 . . . . 0.0 108.272 -179.153 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 51' ' ' THR . . . . . 0.444 ' HA ' ' O ' ' A' ' 55' ' ' HIS . 12.1 m -92.95 124.08 36.67 Favored 'General case' 0 C--N 1.291 -1.949 0 C-N-CA 117.914 -1.514 . . . . 0.0 107.097 175.197 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -144.78 121.67 11.3 Favored 'General case' 0 C--N 1.305 -1.341 0 N-CA-C 106.643 -1.614 . . . . 0.0 106.643 177.594 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 53' ' ' ARG . . . . . 0.413 ' HG2' ' O ' ' A' ' 53' ' ' ARG . 70.2 ttt180 60.77 31.58 20.1 Favored 'General case' 0 N--CA 1.442 -0.857 0 CA-C-O 123.398 1.57 . . . . 0.0 109.804 -178.52 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . 82.82 -2.01 87.17 Favored Glycine 0 C--N 1.308 -1.007 0 CA-C-N 114.257 -1.338 . . . . 0.0 113.958 178.886 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 55' ' ' HIS . . . . . 0.444 ' O ' ' HA ' ' A' ' 51' ' ' THR . 72.1 m-70 -99.97 133.37 44.45 Favored 'General case' 0 CA--C 1.501 -0.929 0 N-CA-C 108.056 -1.09 . . . . 0.0 108.056 178.769 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 23.2 mp0 -91.96 129.95 37.81 Favored 'General case' 0 N--CA 1.429 -1.499 0 N-CA-C 107.22 -1.4 . . . . 0.0 107.22 172.462 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 57' ' ' PHE . . . . . 0.513 ' HB3' HD11 ' A' ' 70' ' ' LEU . 88.5 m-85 -113.21 103.39 11.29 Favored 'General case' 0 N--CA 1.413 -2.275 0 N-CA-C 103.977 -2.601 . . . . 0.0 103.977 174.675 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 20.8 tp10 -80.71 109.53 15.34 Favored 'General case' 0 C--N 1.305 -1.349 0 N-CA-C 105.023 -2.214 . . . . 0.0 105.023 178.243 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 59' ' ' VAL . . . . . 0.496 ' HA ' ' HA ' ' A' ' 70' ' ' LEU . 15.9 m -97.81 156.43 3.58 Favored 'Isoleucine or valine' 0 C--N 1.298 -1.639 0 N-CA-C 108.591 -0.892 . . . . 0.0 108.591 -176.448 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 60' ' ' GLU . . . . . 0.542 ' HB2' ' HB ' ' A' ' 71' ' ' THR . 37.6 tt0 -122.66 100.49 6.94 Favored 'General case' 0 N--CA 1.419 -1.995 0 N-CA-C 106.859 -1.534 . . . . 0.0 106.859 175.846 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -84.59 86.66 7.28 Favored 'General case' 0 N--CA 1.432 -1.326 0 N-CA-C 104.905 -2.257 . . . . 0.0 104.905 176.021 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -72.72 -41.22 65.44 Favored 'General case' 0 C--N 1.303 -1.416 0 CA-C-N 113.687 -1.597 . . . . 0.0 113.118 -177.493 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 63' ' ' ASP . . . . . 0.416 ' C ' ' H ' ' A' ' 65' ' ' ASN . 19.5 t70 -150.94 177.59 9.99 Favored 'General case' 0 C--N 1.313 -1.015 0 N-CA-C 106.933 -1.506 . . . . 0.0 106.933 -176.96 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 64' ' ' GLN . . . . . . . . . . . . . 14.8 pt20 -73.06 30.34 0.06 Allowed 'General case' 0 N--CA 1.47 0.559 0 C-N-CA 125.264 1.426 . . . . 0.0 112.99 -179.242 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 65' ' ' ASN . . . . . 0.416 ' H ' ' C ' ' A' ' 63' ' ' ASP . 10.3 m120 -68.32 -41.72 80.41 Favored 'General case' 0 C--N 1.318 -0.766 0 N-CA-C 105.81 -1.922 . . . . 0.0 105.81 175.644 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 66' ' ' CYS . . . . . 0.534 ' O ' ' HB3' ' A' ' 82' ' ' ALA 0.272 81.3 m 52.19 30.26 7.55 Favored 'General case' 0 C--O 1.224 -0.27 0 C-N-CA 126.435 1.894 . . . . 0.0 114.928 -177.608 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 5.1 mptp? -83.96 162.98 20.26 Favored 'General case' 0 C--N 1.3 -1.544 0 N-CA-C 107.231 -1.396 . . . . 0.0 107.231 165.231 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 68' ' ' VAL . . . . . 0.482 HG21 HD23 ' A' ' 80' ' ' LEU . 9.2 p -84.56 98.62 6.09 Favored 'Isoleucine or valine' 0 C--N 1.283 -2.319 0 C-N-CA 117.701 -1.6 . . . . 0.0 107.958 175.516 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 69' ' ' ILE . . . . . . . . . . . . . 97.6 mt -115.49 118.43 58.76 Favored 'Isoleucine or valine' 0 N--CA 1.423 -1.817 0 N-CA-C 105.403 -2.073 . . . . 0.0 105.403 -179.074 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 70' ' ' LEU . . . . . 0.643 HD21 ' HB2' ' A' ' 76' ' ' ALA . 2.7 mm? -82.4 147.26 28.89 Favored 'General case' 0 N--CA 1.408 -2.564 0 C-N-CA 119.026 -1.069 . . . . 0.0 108.995 177.57 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 71' ' ' THR . . . . . 0.542 ' HB ' ' HB2' ' A' ' 60' ' ' GLU . 14.6 t -64.13 -18.44 64.44 Favored 'General case' 0 C--N 1.296 -1.748 0 CA-C-N 114.128 -1.396 . . . . 0.0 110.966 -176.237 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 72' ' ' ASN . . . . . . . . . . . . . 25.5 p30 -90.59 -6.02 55.17 Favored 'General case' 0 C--N 1.325 -0.498 0 C-N-CA 123.644 0.777 . . . . 0.0 112.273 -179.245 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 73' ' ' GLY . . . . . . . . . . . . . . . 99.76 0.44 56.43 Favored Glycine 0 CA--C 1.502 -0.774 0 C-N-CA 120.623 -0.799 . . . . 0.0 112.732 173.916 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 91.3 mttt -87.28 174.51 8.54 Favored 'General case' 0 N--CA 1.436 -1.173 0 CA-C-O 122.192 0.996 . . . . 0.0 112.755 179.075 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 75' ' ' GLN . . . . . . . . . . . . . 46.5 mt-30 -104.9 152.46 22.62 Favored 'General case' 0 C--N 1.311 -1.09 0 CA-C-N 113.553 -1.658 . . . . 0.0 106.937 171.086 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 76' ' ' ALA . . . . . 0.643 ' HB2' HD21 ' A' ' 70' ' ' LEU . . . -108.41 171.26 4.67 Favored Pre-proline 0 C--N 1.29 -1.997 0 N-CA-C 105.357 -2.09 . . . . 0.0 105.357 175.021 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 77' ' ' PRO . . . . . . . . . . . . . 52.4 Cg_exo -56.65 148.64 63.59 Favored 'Trans proline' 0 C--N 1.355 0.88 0 C-N-CA 122.072 1.848 . . . . 0.0 110.531 176.363 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 78' ' ' ASP . . . . . . . . . . . . . 13.5 m-20 -69.68 -10.61 58.98 Favored 'General case' 0 C--N 1.318 -0.769 0 N-CA-C 112.918 0.71 . . . . 0.0 112.918 -174.552 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 79' ' ' TRP . . . . . . . . . . . . . 56.0 p-90 -82.17 -13.99 56.32 Favored 'General case' 0 N--CA 1.449 -0.479 0 CA-C-O 121.394 0.616 . . . . 0.0 110.133 175.939 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 80' ' ' LEU . . . . . 0.482 HD23 HG21 ' A' ' 68' ' ' VAL . 16.3 tp -85.73 95.38 9.37 Favored 'General case' 0 N--CA 1.428 -1.564 0 N-CA-C 105.501 -2.037 . . . . 0.0 105.501 178.416 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 81' ' ' ALA . . . . . 0.48 ' O ' ' HA ' ' A' ' 27' ' ' TYR . . . -98.08 165.77 11.74 Favored 'General case' 0 C--N 1.301 -1.519 0 CA-C-N 114.65 -1.159 . . . . 0.0 111.596 -173.19 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 82' ' ' ALA . . . . . 0.592 ' HA ' ' O ' ' A' ' 26' ' ' VAL . . . -147.01 140.32 25.43 Favored 'General case' 0 C--N 1.297 -1.702 0 CA-C-N 114.32 -1.309 . . . . 0.0 108.753 174.973 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 16.4 pt-20 -148.92 145.68 20.13 Favored Pre-proline 0 C--N 1.302 -1.465 0 N-CA-C 105.422 -2.066 . . . . 0.0 105.422 173.465 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 84' ' ' PRO . . . . . 0.653 ' HA ' ' O ' ' A' ' 24' ' ' SER . 50.2 Cg_endo -69.64 144.49 54.82 Favored 'Trans proline' 0 N--CA 1.45 -1.084 0 C-N-CA 121.363 1.375 . . . . 0.0 111.923 -178.514 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 85' ' ' TYR . . . . . . . . . . . . 0.345 0.1 OUTLIER . . . . . 0 C--O 1.245 0.847 0 N-CA-C 117.274 2.324 . . . . 0.0 117.274 -170.865 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 12.6 p . . . . . 0 C--O 1.239 0.532 0 CA-C-O 120.72 0.295 . . . . 0.0 110.863 . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . -91.86 114.42 4.55 Favored Glycine 0 N--CA 1.44 -1.095 0 N-CA-C 110.716 -0.954 . . . . 0.0 110.716 179.074 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 9' ' ' ARG . . . . . 0.673 ' NE ' ' HA ' ' A' ' 9' ' ' ARG . 0.7 OUTLIER -128.41 99.87 5.57 Favored 'General case' 0 N--CA 1.433 -1.305 0 N-CA-C 114.013 1.116 . . . . 0.0 114.013 178.306 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 1.7 mp0 -77.35 94.63 4.24 Favored 'General case' 0 C--N 1.296 -1.728 0 CA-C-N 113.133 -1.849 . . . . 0.0 106.716 175.207 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 11' ' ' ASN . . . . . . . . . . . . . 18.0 m120 -94.6 163.53 13.35 Favored 'General case' 0 C--N 1.303 -1.416 0 N-CA-C 106.787 -1.56 . . . . 0.0 106.787 178.907 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 5.3 mp -79.99 99.27 7.56 Favored 'General case' 0 C--N 1.301 -1.541 0 CA-C-O 123.089 1.424 . . . . 0.0 112.903 -175.937 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 13' ' ' TYR . . . . . . . . . . . . . 75.2 m-85 -126.51 -177.25 3.92 Favored 'General case' 0 C--N 1.301 -1.515 0 N-CA-C 102.467 -3.16 . . . . 0.0 102.467 174.901 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 14' ' ' PHE . . . . . . . . . . . . . 65.6 t80 -53.89 130.49 37.44 Favored 'General case' 0 C--O 1.247 0.922 0 N-CA-C 105.964 -1.865 . . . . 0.0 105.964 171.558 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 97.7 mt-30 -28.74 117.29 0.11 Allowed 'General case' 0 C--O 1.246 0.901 0 N-CA-C 118.27 2.693 . . . . 0.0 118.27 -165.401 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . -72.24 135.81 22.98 Favored Glycine 0 N--CA 1.43 -1.743 0 N-CA-C 105.889 -2.884 . . . . 0.0 105.889 171.061 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 17' ' ' HIS . . . . . . . . . . . . . 40.6 m-70 -73.54 125.26 27.55 Favored 'General case' 0 C--N 1.302 -1.461 0 CA-C-O 121.133 0.492 . . . . 0.0 111.064 -171.417 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 18' ' ' MET . . . . . . . . . . . . . 90.6 mtp -80.82 172.72 13.39 Favored 'General case' 0 N--CA 1.436 -1.143 0 N-CA-C 108.398 -0.964 . . . . 0.0 108.398 174.414 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -72.03 135.47 46.36 Favored 'General case' 0 C--N 1.292 -1.935 0 N-CA-C 108.33 -0.989 . . . . 0.0 108.33 -179.913 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -75.04 149.03 84.88 Favored Pre-proline 0 C--N 1.303 -1.43 0 CA-C-N 114.801 -1.09 . . . . 0.0 112.58 -174.274 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 21' ' ' PRO . . . . . . . . . . . . . 78.4 Cg_exo -48.36 119.38 4.03 Favored 'Trans proline' 0 C--N 1.358 1.047 0 C-N-CA 123.496 2.797 . . . . 0.0 109.78 173.794 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -138.69 31.84 2.26 Favored 'General case' 0 C--N 1.311 -1.099 0 C-N-CA 120.287 -0.565 . . . . 0.0 112.443 -172.116 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 23' ' ' ARG . . . . . 0.613 ' C ' HG12 ' A' ' 44' ' ' ILE . 36.1 mtm-85 55.82 27.89 11.58 Favored 'General case' 0 C--N 1.313 -1.003 0 N-CA-C 113.138 0.792 . . . . 0.0 113.138 -178.164 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 24' ' ' SER . . . . . 0.602 ' O ' ' HA ' ' A' ' 84' ' ' PRO . 67.2 m -153.52 138.01 16.8 Favored 'General case' 0 C--N 1.318 -0.795 0 O-C-N 121.702 -0.624 . . . . 0.0 110.472 177.544 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 25' ' ' CYS . . . . . . . . . . . . . 66.8 m -108.17 131.42 54.67 Favored 'General case' 0 CA--C 1.5 -0.966 0 N-CA-C 106.169 -1.789 . . . . 0.0 106.169 175.929 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 26' ' ' VAL . . . . . 0.848 HG21 ' HB2' ' A' ' 85' ' ' TYR . 6.3 t -117.01 123.95 72.43 Favored 'Isoleucine or valine' 0 C--N 1.285 -2.197 0 N-CA-C 107.09 -1.448 . . . . 0.0 107.09 -170.716 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 27' ' ' TYR . . . . . . . . . . . . . 64.2 m-85 -94.66 135.41 36.16 Favored 'General case' 0 C--N 1.301 -1.523 0 CA-C-N 115.582 -0.735 . . . . 0.0 111.789 -171.909 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 28' ' ' TYR . . . . . 0.496 ' HA ' ' O ' ' A' ' 37' ' ' VAL . 63.3 m-85 -128.42 141.37 51.43 Favored 'General case' 0 N--CA 1.428 -1.548 0 CA-C-N 114.568 -1.196 . . . . 0.0 110.445 -178.613 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 29' ' ' ASP . . . . . 0.459 ' HB3' ' HB ' ' A' ' 37' ' ' VAL . 4.4 t70 -94.83 102.03 13.87 Favored 'General case' 0 C--N 1.302 -1.491 0 N-CA-C 106.442 -1.688 . . . . 0.0 106.442 175.939 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . -172.46 137.12 4.07 Favored Glycine 0 N--CA 1.431 -1.699 0 C-N-CA 120.384 -0.912 . . . . 0.0 112.543 176.626 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 31' ' ' HIS . . . . . 0.4 ' CD2' ' HB3' ' A' ' 79' ' ' TRP . 87.9 m-70 -81.79 -26.23 34.59 Favored 'General case' 0 C--N 1.3 -1.584 0 N-CA-C 108.263 -1.014 . . . . 0.0 108.263 175.634 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 8.7 mp -122.44 149.32 54.95 Favored Pre-proline 0 N--CA 1.438 -1.054 0 N-CA-C 107.419 -1.326 . . . . 0.0 107.419 179.143 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 33' ' ' PRO . . . . . . . . . . . . . 34.5 Cg_endo -68.39 -6.86 18.57 Favored 'Trans proline' 0 CA--C 1.537 0.651 0 C-N-CA 122.341 2.027 . . . . 0.0 110.618 174.97 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -88.46 -11.99 44.36 Favored 'General case' 0 N--CA 1.445 -0.684 0 CA-C-N 114.901 -1.045 . . . . 0.0 111.059 178.483 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 2.6 p -131.65 18.01 4.75 Favored 'General case' 0 C--N 1.323 -0.545 0 N-CA-C 112.376 0.509 . . . . 0.0 112.376 -178.427 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 14.3 ptt180 -64.18 124.7 22.34 Favored 'General case' 0 C--N 1.321 -0.641 0 CA-C-N 115.367 -0.833 . . . . 0.0 110.886 177.61 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 37' ' ' VAL . . . . . 0.496 ' O ' ' HA ' ' A' ' 28' ' ' TYR . 60.8 t -111.85 125.67 69.18 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 N-CA-C 108.872 -0.788 . . . . 0.0 108.872 -179.715 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 3.2 tm? -60.05 111.59 1.56 Allowed 'General case' 0 C--N 1.321 -0.646 0 C-N-CA 123.597 0.759 . . . . 0.0 110.978 178.797 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 96.3 mt -90.93 -61.62 1.63 Allowed 'General case' 0 C--N 1.316 -0.883 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.591 177.295 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 40' ' ' MET . . . . . . . . . . . . . 22.6 ptm -171.65 164.52 6.69 Favored 'General case' 0 CA--C 1.514 -0.411 0 CA-C-N 115.738 -0.664 . . . . 0.0 112.266 -174.883 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 41' ' ' TYR . . . . . . . . . . . . . 87.7 m-85 -107.53 133.73 51.58 Favored 'General case' 0 C--N 1.31 -1.148 0 C-N-CA 125.476 1.51 . . . . 0.0 110.218 -177.459 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 47.0 t -126.27 138.72 53.76 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.774 0 N-CA-C 107.38 -1.341 . . . . 0.0 107.38 176.155 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 26.8 ttt85 -83.94 147.36 27.52 Favored 'General case' 0 C--N 1.302 -1.493 0 C-N-CA 120.168 -0.613 . . . . 0.0 109.535 179.815 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 44' ' ' ILE . . . . . 0.613 HG12 ' C ' ' A' ' 23' ' ' ARG . 24.0 mm -66.41 128.5 29.58 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.856 0 N-CA-C 108.896 -0.779 . . . . 0.0 108.896 179.141 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . 94.61 10.13 58.21 Favored Glycine 0 C--N 1.301 -1.38 0 N-CA-C 110.177 -1.169 . . . . 0.0 110.177 177.472 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 46' ' ' ASN . . . . . . . . . . . . . 54.2 t30 -129.29 160.42 33.04 Favored 'General case' 0 N--CA 1.43 -1.454 0 N-CA-C 108.771 -0.826 . . . . 0.0 108.771 -178.843 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 14.0 p -110.62 156.49 20.89 Favored 'General case' 0 C--N 1.284 -2.277 0 CA-C-N 114.521 -1.218 . . . . 0.0 110.574 -178.06 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -159.86 133.12 6.91 Favored 'General case' 0 C--N 1.309 -1.157 0 CA-C-N 115.33 -0.85 . . . . 0.0 112.953 177.101 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 3.6 m -76.1 114.06 14.32 Favored 'General case' 0 C--N 1.312 -1.04 0 CA-C-N 114.992 -1.004 . . . . 0.0 108.322 172.983 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 50' ' ' ILE . . . . . 0.484 ' O ' ' HA ' ' A' ' 56' ' ' GLU . 40.9 mm -95.89 110.73 24.89 Favored 'Isoleucine or valine' 0 C--N 1.308 -1.237 0 N-CA-C 107.883 -1.154 . . . . 0.0 107.883 179.71 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 19.2 m -93.42 123.05 36.46 Favored 'General case' 0 C--N 1.292 -1.924 0 N-CA-C 105.3 -2.111 . . . . 0.0 105.3 172.496 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -148.25 121.86 9.19 Favored 'General case' 0 N--CA 1.427 -1.613 0 N-CA-C 109.049 -0.723 . . . . 0.0 109.049 179.991 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 53' ' ' ARG . . . . . 0.488 ' HD2' ' CZ2' ' A' ' 79' ' ' TRP . 83.1 mtt180 63.22 25.65 14.87 Favored 'General case' 0 C--N 1.323 -0.562 0 C-N-CA 125.521 1.528 . . . . 0.0 111.427 -179.882 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . 86.69 14.03 66.17 Favored Glycine 0 N--CA 1.44 -1.04 0 CA-C-N 115.06 -0.973 . . . . 0.0 112.904 179.458 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 55' ' ' HIS . . . . . . . . . . . . . 68.4 m-70 -122.91 131.77 53.88 Favored 'General case' 0 C--N 1.318 -0.771 0 N-CA-C 108.825 -0.806 . . . . 0.0 108.825 176.752 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 56' ' ' GLU . . . . . 0.484 ' HA ' ' O ' ' A' ' 50' ' ' ILE . 4.4 mp0 -97.97 127.61 44.02 Favored 'General case' 0 N--CA 1.438 -1.039 0 N-CA-C 108.718 -0.845 . . . . 0.0 108.718 178.729 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 57' ' ' PHE . . . . . . . . . . . . . 53.3 m-85 -117.32 113.3 21.94 Favored 'General case' 0 N--CA 1.424 -1.754 0 N-CA-C 106.734 -1.58 . . . . 0.0 106.734 179.242 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 5.0 tp10 -78.81 109.52 13.14 Favored 'General case' 0 C--N 1.31 -1.112 0 N-CA-C 106.12 -1.808 . . . . 0.0 106.12 177.673 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 59' ' ' VAL . . . . . 0.549 HG12 HD13 ' A' ' 70' ' ' LEU . 10.2 m -105.87 162.29 5.06 Favored 'Isoleucine or valine' 0 C--N 1.295 -1.77 0 N-CA-C 108.95 -0.759 . . . . 0.0 108.95 -177.719 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 60' ' ' GLU . . . . . 0.555 ' HB2' ' HB ' ' A' ' 71' ' ' THR . 39.0 tt0 -129.73 121.38 26.77 Favored 'General case' 0 N--CA 1.416 -2.164 0 N-CA-C 105.099 -2.186 . . . . 0.0 105.099 172.435 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -76.51 95.81 3.96 Favored 'General case' 0 C--N 1.306 -1.322 0 N-CA-C 107.303 -1.369 . . . . 0.0 107.303 177.51 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 74.5 mmtt -71.0 -58.81 3.21 Favored 'General case' 0 C--N 1.317 -0.812 0 CA-C-N 113.816 -1.538 . . . . 0.0 113.64 -175.096 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 22.9 t70 -144.54 161.29 39.47 Favored 'General case' 0 C--N 1.301 -1.54 0 CA-C-N 115.788 -0.642 . . . . 0.0 109.461 -171.75 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 64' ' ' GLN . . . . . 0.475 ' OE1' HG21 ' A' ' 44' ' ' ILE . 1.0 OUTLIER -71.35 -0.46 10.2 Favored 'General case' 0 C--O 1.239 0.501 0 C-N-CA 124.407 1.083 . . . . 0.0 111.39 -176.435 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 65' ' ' ASN . . . . . . . . . . . . . 47.3 t-20 -71.54 -26.62 62.72 Favored 'General case' 0 C--N 1.318 -0.781 0 N-CA-C 106.589 -1.634 . . . . 0.0 106.589 173.064 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 66' ' ' CYS . . . . . . . . . . . . 0.321 99.4 m 57.0 55.33 6.17 Favored 'General case' 0 N--CA 1.445 -0.714 0 N-CA-C 116.385 1.995 . . . . 0.0 116.385 175.568 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -89.29 148.13 23.73 Favored 'General case' 0 CA--C 1.487 -1.462 0 N-CA-C 106.836 -1.542 . . . . 0.0 106.836 169.945 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 68' ' ' VAL . . . . . . . . . . . . . 5.3 p -76.97 99.74 2.33 Favored 'Isoleucine or valine' 0 C--N 1.289 -2.046 0 CA-C-O 122.24 1.019 . . . . 0.0 109.148 -179.433 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 69' ' ' ILE . . . . . . . . . . . . . 85.3 mt -121.12 119.18 58.53 Favored 'Isoleucine or valine' 0 N--CA 1.425 -1.718 0 N-CA-C 107.245 -1.391 . . . . 0.0 107.245 -177.124 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 70' ' ' LEU . . . . . 0.706 HD21 ' HB2' ' A' ' 76' ' ' ALA . 2.7 mm? -80.57 145.72 31.62 Favored 'General case' 0 N--CA 1.406 -2.634 0 CA-C-N 113.998 -1.455 . . . . 0.0 108.89 -177.765 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 71' ' ' THR . . . . . 0.555 ' HB ' ' HB2' ' A' ' 60' ' ' GLU . 5.4 t -78.33 -10.7 59.79 Favored 'General case' 0 C--N 1.28 -2.446 0 CA-C-N 113.996 -1.456 . . . . 0.0 110.567 -175.085 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 72' ' ' ASN . . . . . . . . . . . . . 18.6 p30 -96.0 -16.75 21.47 Favored 'General case' 0 C--N 1.324 -0.507 0 CA-C-N 115.921 -0.581 . . . . 0.0 111.826 -178.32 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 73' ' ' GLY . . . . . . . . . . . . . . . 100.62 9.24 47.22 Favored Glycine 0 CA--C 1.506 -0.473 0 N-CA-C 111.584 -0.607 . . . . 0.0 111.584 173.391 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 74' ' ' LYS . . . . . 0.558 ' O ' HD23 ' A' ' 70' ' ' LEU . 70.6 mmtt -92.4 171.9 8.74 Favored 'General case' 0 C--N 1.308 -1.212 0 N-CA-C 109.228 -0.656 . . . . 0.0 109.228 -179.298 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 75' ' ' GLN . . . . . . . . . . . . . 21.4 mp0 -97.39 150.41 21.04 Favored 'General case' 0 C--N 1.295 -1.802 0 CA-C-N 115.554 -0.748 . . . . 0.0 110.282 178.52 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 76' ' ' ALA . . . . . 0.706 ' HB2' HD21 ' A' ' 70' ' ' LEU . . . -108.17 149.71 39.53 Favored Pre-proline 0 C--N 1.301 -1.507 0 N-CA-C 106.761 -1.57 . . . . 0.0 106.761 175.033 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 77' ' ' PRO . . . . . . . . . . . . . 85.2 Cg_exo -52.9 159.8 4.77 Favored 'Trans proline' 0 N--CA 1.474 0.343 0 C-N-CA 124.156 3.238 . . . . 0.0 114.046 177.881 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 78' ' ' ASP . . . . . . . . . . . . . 32.1 t70 -62.69 -24.89 67.88 Favored 'General case' 0 C--N 1.322 -0.591 0 CA-C-N 115.181 -0.918 . . . . 0.0 111.487 -178.36 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 79' ' ' TRP . . . . . 0.488 ' CZ2' ' HD2' ' A' ' 53' ' ' ARG . 64.8 p-90 -82.73 -9.38 59.38 Favored 'General case' 0 C--N 1.316 -0.874 0 N-CA-C 112.622 0.601 . . . . 0.0 112.622 179.659 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 80' ' ' LEU . . . . . 0.549 HD23 ' HB1' ' A' ' 76' ' ' ALA . 22.6 tp -89.95 107.16 18.95 Favored 'General case' 0 N--CA 1.434 -1.247 0 C-N-CA 118.821 -1.152 . . . . 0.0 109.699 -177.45 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -112.9 167.99 10.05 Favored 'General case' 0 CA--C 1.498 -1.031 0 CA-C-O 121.682 0.753 . . . . 0.0 111.464 -179.068 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 82' ' ' ALA . . . . . 0.55 ' HA ' ' O ' ' A' ' 26' ' ' VAL . . . -150.35 144.67 25.65 Favored 'General case' 0 C--N 1.307 -1.28 0 CA-C-N 113.821 -1.536 . . . . 0.0 109.072 176.152 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 12.1 pt-20 -150.49 153.06 33.91 Favored Pre-proline 0 C--N 1.302 -1.499 0 N-CA-C 104.316 -2.476 . . . . 0.0 104.316 173.704 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 84' ' ' PRO . . . . . 0.602 ' HA ' ' O ' ' A' ' 24' ' ' SER . 68.4 Cg_endo -73.71 158.17 47.32 Favored 'Trans proline' 0 C--O 1.215 -0.629 0 C-N-CA 121.72 1.613 . . . . 0.0 111.939 178.65 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 85' ' ' TYR . . . . . 0.848 ' HB2' HG21 ' A' ' 26' ' ' VAL . 5.2 t80 . . . . . 0 C--N 1.318 -0.803 0 N-CA-C 114.163 1.171 . . . . 0.0 114.163 -178.037 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 43.2 t . . . . . 0 CA--C 1.51 -0.595 0 N-CA-C 107.498 -1.297 . . . . 0.0 107.498 . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . -120.8 89.78 0.45 Allowed Glycine 0 N--CA 1.429 -1.78 0 C-N-CA 119.411 -1.376 . . . . 0.0 111.873 -179.529 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 95.8 mtt180 -103.8 89.79 3.43 Favored 'General case' 0 C--N 1.31 -1.128 0 N-CA-C 107.785 -1.191 . . . . 0.0 107.785 175.937 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 8.9 pt-20 -82.2 140.87 33.46 Favored 'General case' 0 C--N 1.303 -1.417 0 CA-C-N 114.429 -1.259 . . . . 0.0 110.8 -179.429 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 11' ' ' ASN . . . . . . . . . . . . . 7.4 t30 -67.73 121.98 17.11 Favored 'General case' 0 CA--C 1.504 -0.815 0 N-CA-C 107.44 -1.319 . . . . 0.0 107.44 174.574 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 6.9 mp -66.01 104.3 1.1 Allowed 'General case' 0 C--N 1.308 -1.201 0 O-C-N 123.96 0.787 . . . . 0.0 111.492 -179.413 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 13' ' ' TYR . . . . . . . . . . . . . 92.4 m-85 -79.39 130.04 35.04 Favored 'General case' 0 C--N 1.312 -1.028 0 N-CA-C 106.182 -1.784 . . . . 0.0 106.182 174.141 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 14' ' ' PHE . . . . . . . . . . . . . 90.6 m-85 -83.65 130.33 34.97 Favored 'General case' 0 C--N 1.303 -1.448 0 N-CA-C 109.181 -0.674 . . . . 0.0 109.181 -178.925 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 23.6 mp0 -86.85 133.24 33.64 Favored 'General case' 0 C--N 1.314 -0.953 0 CA-C-N 115.681 -0.69 . . . . 0.0 111.036 -177.108 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . -97.36 178.11 32.66 Favored Glycine 0 N--CA 1.435 -1.367 0 N-CA-C 106.502 -2.639 . . . . 0.0 106.502 170.738 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 17' ' ' HIS . . . . . . . . . . . . 0.403 33.9 m80 -77.7 113.57 15.68 Favored 'General case' 0 C--N 1.312 -1.064 0 CA-C-O 123.273 1.511 . . . . 0.0 114.403 -179.673 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 18' ' ' MET . . . . . . . . . . . . . 30.7 mtm -148.48 -175.45 4.92 Favored 'General case' 0 C--N 1.304 -1.411 0 N-CA-C 101.22 -3.622 . . . . 0.0 101.22 -174.192 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -65.37 95.81 0.21 Allowed 'General case' 0 C--N 1.307 -1.261 0 N-CA-C 104.718 -2.327 . . . . 0.0 104.718 170.452 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -95.42 159.57 32.45 Favored Pre-proline 0 C--N 1.312 -1.041 0 CA-C-N 115.195 -0.911 . . . . 0.0 111.17 -168.279 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 21' ' ' PRO . . . . . . . . . . . . . 24.9 Cg_endo -61.42 89.39 0.1 OUTLIER 'Trans proline' 0 C--N 1.35 0.611 0 C-N-CA 122.534 2.156 . . . . 0.0 111.136 175.515 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -95.86 25.85 4.44 Favored 'General case' 0 C--N 1.314 -0.964 0 CA-C-N 114.625 -1.17 . . . . 0.0 111.501 -175.69 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 23' ' ' ARG . . . . . 0.548 ' C ' HG12 ' A' ' 44' ' ' ILE . 38.0 ttt180 57.22 24.3 9.68 Favored 'General case' 0 CA--C 1.551 0.987 0 CA-C-O 122.716 1.246 . . . . 0.0 112.087 179.17 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 24' ' ' SER . . . . . 0.532 ' O ' ' HA ' ' A' ' 84' ' ' PRO . 48.5 m -151.77 131.74 13.39 Favored 'General case' 0 C--N 1.312 -1.041 0 O-C-N 120.309 -1.495 . . . . 0.0 108.629 175.8 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 25' ' ' CYS . . . . . 0.427 ' SG ' HD11 ' A' ' 44' ' ' ILE . 14.4 m -107.83 131.42 54.5 Favored 'General case' 0 CA--C 1.489 -1.393 0 N-CA-C 106.489 -1.671 . . . . 0.0 106.489 176.107 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 26' ' ' VAL . . . . . 0.516 ' O ' ' HA ' ' A' ' 82' ' ' ALA . 2.8 t -103.68 119.19 51.94 Favored 'Isoleucine or valine' 0 C--N 1.286 -2.192 0 N-CA-C 106.712 -1.588 . . . . 0.0 106.712 -174.112 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 27' ' ' TYR . . . . . . . . . . . . . 6.5 m-85 -91.98 130.68 37.68 Favored 'General case' 0 C--N 1.301 -1.532 0 O-C-N 124.14 0.9 . . . . 0.0 109.26 -176.246 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 28' ' ' TYR . . . . . 0.434 ' HA ' ' O ' ' A' ' 37' ' ' VAL . 97.5 m-85 -128.33 146.34 50.8 Favored 'General case' 0 N--CA 1.413 -2.312 0 CA-C-N 114.399 -1.273 . . . . 0.0 110.033 -176.736 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 29' ' ' ASP . . . . . 0.419 ' HB2' HD21 ' A' ' 39' ' ' LEU . 3.4 t0 -88.81 101.77 14.36 Favored 'General case' 0 C--N 1.298 -1.656 0 N-CA-C 104.917 -2.253 . . . . 0.0 104.917 172.426 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . -173.07 141.99 6.46 Favored Glycine 0 N--CA 1.422 -2.25 0 C-N-CA 119.433 -1.365 . . . . 0.0 113.926 177.182 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 31' ' ' HIS . . . . . 0.472 ' NE2' ' HB3' ' A' ' 79' ' ' TRP . 91.4 m-70 -88.45 -30.69 19.24 Favored 'General case' 0 C--N 1.299 -1.596 0 N-CA-C 106.305 -1.739 . . . . 0.0 106.305 171.511 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 7.5 mp -107.57 148.11 36.63 Favored Pre-proline 0 N--CA 1.435 -1.21 0 CA-C-N 114.802 -1.09 . . . . 0.0 109.019 -179.539 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 33' ' ' PRO . . . . . . . . . . . . . 98.2 Cg_endo -77.25 4.8 5.55 Favored 'Trans proline' 0 CA--C 1.532 0.382 0 C-N-CA 122.919 2.412 . . . . 0.0 110.163 174.422 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -94.85 -61.02 1.57 Allowed 'General case' 0 C--N 1.32 -0.687 0 CA-C-N 115.244 -0.889 . . . . 0.0 111.114 178.879 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 4.8 p -90.84 12.41 19.46 Favored 'General case' 0 C--N 1.318 -0.763 0 N-CA-C 113.705 1.002 . . . . 0.0 113.705 -172.614 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 36' ' ' ARG . . . . . 0.423 ' HB2' ' HB3' ' A' ' 28' ' ' TYR . 0.0 OUTLIER -68.28 153.49 43.65 Favored 'General case' 0 C--N 1.32 -0.676 0 N-CA-C 112.2 0.444 . . . . 0.0 112.2 -176.488 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 37' ' ' VAL . . . . . 0.434 ' O ' ' HA ' ' A' ' 28' ' ' TYR . 40.4 t -120.91 132.26 70.86 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.708 0 N-CA-C 108.315 -0.995 . . . . 0.0 108.315 -175.438 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 47.2 tp -65.32 118.58 9.52 Favored 'General case' 0 C--N 1.314 -0.969 0 CA-C-O 121.065 0.459 . . . . 0.0 110.96 177.754 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 39' ' ' LEU . . . . . 0.419 HD21 ' HB2' ' A' ' 29' ' ' ASP . 94.0 mt -91.77 -55.54 3.43 Favored 'General case' 0 C--N 1.299 -1.608 0 CA-C-N 115.443 -0.799 . . . . 0.0 110.572 176.491 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 40' ' ' MET . . . . . . . . . . . . . 45.1 ttm -171.19 152.35 3.39 Favored 'General case' 0 N--CA 1.438 -1.073 0 CA-C-N 115.403 -0.817 . . . . 0.0 109.919 -173.601 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 41' ' ' TYR . . . . . . . . . . . . . 96.1 m-85 -95.26 124.6 39.38 Favored 'General case' 0 C--N 1.314 -0.947 0 N-CA-C 107.138 -1.43 . . . . 0.0 107.138 173.71 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 30.0 t -113.67 119.16 60.23 Favored 'Isoleucine or valine' 0 C--N 1.308 -1.199 0 N-CA-C 108.759 -0.83 . . . . 0.0 108.759 179.081 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 25.1 tpt180 -67.87 132.35 47.21 Favored 'General case' 0 C--N 1.31 -1.113 0 N-CA-C 107.008 -1.479 . . . . 0.0 107.008 178.48 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 44' ' ' ILE . . . . . 0.548 HG12 ' C ' ' A' ' 23' ' ' ARG . 35.7 mm -62.66 125.15 18.56 Favored 'Isoleucine or valine' 0 C--N 1.311 -1.074 0 N-CA-C 108.237 -1.023 . . . . 0.0 108.237 178.398 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . 94.98 25.49 14.49 Favored Glycine 0 C--N 1.303 -1.294 0 N-CA-C 110.251 -1.14 . . . . 0.0 110.251 -176.707 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 46' ' ' ASN . . . . . . . . . . . . . 43.2 t30 -142.39 159.48 42.15 Favored 'General case' 0 C--N 1.311 -1.07 0 N-CA-C 108.054 -1.091 . . . . 0.0 108.054 177.146 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 33.4 p -108.62 153.07 23.93 Favored 'General case' 0 C--N 1.289 -2.062 0 CA-C-N 115.19 -0.914 . . . . 0.0 108.877 178.306 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 48' ' ' ALA . . . . . 0.41 ' O ' ' HA ' ' A' ' 58' ' ' GLU . . . -149.08 131.37 15.56 Favored 'General case' 0 C--N 1.296 -1.754 0 C-N-CA 120.121 -0.631 . . . . 0.0 112.134 -178.82 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 3.7 m -87.61 107.51 18.64 Favored 'General case' 0 N--CA 1.435 -1.176 0 N-CA-C 107.03 -1.47 . . . . 0.0 107.03 175.343 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 50' ' ' ILE . . . . . 0.419 ' O ' ' HA ' ' A' ' 56' ' ' GLU . 18.2 mm -97.61 112.68 30.21 Favored 'Isoleucine or valine' 0 C--N 1.31 -1.137 0 N-CA-C 108.885 -0.783 . . . . 0.0 108.885 -177.974 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 23.5 m -95.47 123.88 39.23 Favored 'General case' 0 C--N 1.295 -1.769 0 C-N-CA 116.72 -1.992 . . . . 0.0 106.25 172.24 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -143.28 123.38 13.66 Favored 'General case' 0 C--N 1.31 -1.147 0 N-CA-C 108.32 -0.993 . . . . 0.0 108.32 -179.734 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 53' ' ' ARG . . . . . . . . . . . . . 77.1 mtt180 65.48 18.24 11.22 Favored 'General case' 0 C--N 1.324 -0.52 0 C-N-CA 124.45 1.1 . . . . 0.0 110.996 -179.788 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . 95.8 -0.84 63.06 Favored Glycine 0 C--N 1.307 -1.048 0 CA-C-N 114.839 -1.073 . . . . 0.0 112.854 -178.475 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 55' ' ' HIS . . . . . . . . . . . . . 44.2 m-70 -109.12 127.48 54.2 Favored 'General case' 0 C--N 1.32 -0.701 0 O-C-N 122.178 -0.601 . . . . 0.0 109.607 -177.102 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 56' ' ' GLU . . . . . 0.419 ' HA ' ' O ' ' A' ' 50' ' ' ILE . 46.0 mp0 -86.57 131.99 34.02 Favored 'General case' 0 C--O 1.246 0.903 0 CA-C-O 121.429 0.633 . . . . 0.0 110.513 175.604 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 57' ' ' PHE . . . . . 0.469 ' HB3' HD11 ' A' ' 70' ' ' LEU . 64.1 m-85 -123.07 100.06 6.68 Favored 'General case' 0 N--CA 1.415 -2.178 0 N-CA-C 105.383 -2.081 . . . . 0.0 105.383 175.034 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 58' ' ' GLU . . . . . 0.538 ' O ' HG22 ' A' ' 71' ' ' THR . 34.4 tt0 -92.49 111.42 23.0 Favored 'General case' 0 C--N 1.3 -1.564 0 C-N-CA 117.274 -1.77 . . . . 0.0 107.097 177.638 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 59' ' ' VAL . . . . . 0.4 HG12 HD13 ' A' ' 70' ' ' LEU . 32.8 m -108.4 165.13 5.0 Favored 'Isoleucine or valine' 0 C--N 1.298 -1.653 0 CA-C-N 115.079 -0.964 . . . . 0.0 110.268 -175.801 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 39.5 tt0 -120.39 116.16 24.94 Favored 'General case' 0 C--N 1.294 -1.822 0 N-CA-C 105.162 -2.162 . . . . 0.0 105.162 171.514 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -76.89 89.99 3.5 Favored 'General case' 0 C--N 1.32 -0.706 0 N-CA-C 108.889 -0.782 . . . . 0.0 108.889 179.62 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 62' ' ' LYS . . . . . 0.431 ' HG3' HD13 ' A' ' 69' ' ' ILE . 27.7 mmmt -66.03 -57.02 8.71 Favored 'General case' 0 C--N 1.32 -0.674 0 CA-C-N 113.494 -1.685 . . . . 0.0 111.617 -176.733 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 1.5 m-20 -125.88 156.43 39.67 Favored 'General case' 0 CA--C 1.497 -1.09 0 CA-C-N 115.609 -0.723 . . . . 0.0 110.044 -171.822 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 64' ' ' GLN . . . . . 0.528 ' HG3' HG13 ' A' ' 44' ' ' ILE . 10.2 mp0 -78.71 -2.76 40.85 Favored 'General case' 0 C--N 1.323 -0.578 0 O-C-N 123.875 0.734 . . . . 0.0 109.557 179.885 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 65' ' ' ASN . . . . . . . . . . . . . 58.7 t30 -91.61 14.98 13.51 Favored 'General case' 0 C--N 1.325 -0.484 0 N-CA-C 107.035 -1.469 . . . . 0.0 107.035 176.668 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 66' ' ' CYS . . . . . 0.489 ' SG ' ' HD3' ' A' ' 84' ' ' PRO . 82.4 m 57.86 55.08 5.62 Favored 'General case' 0 N--CA 1.437 -1.113 0 CA-C-N 113.202 -1.817 . . . . 0.0 114.201 175.23 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 67' ' ' LYS . . . . . 0.553 ' HA ' ' HE3' ' A' ' 67' ' ' LYS . 0.0 OUTLIER -84.45 117.37 23.61 Favored 'General case' 0 N--CA 1.414 -2.24 0 C-N-CA 118.273 -1.371 . . . . 0.0 109.397 173.728 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 68' ' ' VAL . . . . . . . . . . . . . 5.4 p -93.12 98.7 8.64 Favored 'Isoleucine or valine' 0 C--N 1.284 -2.275 0 CA-C-N 111.886 -2.415 . . . . 0.0 109.906 -174.941 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 69' ' ' ILE . . . . . 0.431 HD13 ' HG3' ' A' ' 62' ' ' LYS . 1.9 mp -114.13 119.48 61.34 Favored 'Isoleucine or valine' 0 C--N 1.294 -1.827 0 N-CA-C 105.453 -2.054 . . . . 0.0 105.453 176.71 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 70' ' ' LEU . . . . . 0.573 HD21 ' HB2' ' A' ' 76' ' ' ALA . 4.1 mm? -77.85 139.45 39.28 Favored 'General case' 0 CA--C 1.477 -1.863 0 CA-C-N 115.361 -0.836 . . . . 0.0 110.09 179.241 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 71' ' ' THR . . . . . 0.538 HG22 ' O ' ' A' ' 58' ' ' GLU . 15.2 t -82.49 0.24 43.34 Favored 'General case' 0 C--N 1.291 -1.957 0 CA-C-N 114.392 -1.276 . . . . 0.0 109.077 -177.312 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 72' ' ' ASN . . . . . . . . . . . . . 81.8 m-20 -90.23 -8.19 51.65 Favored 'General case' 0 C--N 1.322 -0.589 0 CA-C-N 114.452 -1.249 . . . . 0.0 109.362 176.06 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 73' ' ' GLY . . . . . . . . . . . . . . . 89.72 18.07 52.59 Favored Glycine 0 CA--C 1.5 -0.874 0 N-CA-C 109.502 -1.439 . . . . 0.0 109.502 179.069 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 74' ' ' LYS . . . . . 0.469 ' O ' ' HB2' ' A' ' 70' ' ' LEU . 67.2 mmtt -101.93 159.52 15.28 Favored 'General case' 0 N--CA 1.431 -1.394 0 CA-C-N 113.786 -1.207 . . . . 0.0 112.572 -174.386 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 75' ' ' GLN . . . . . . . . . . . . . 79.1 mt-30 -91.82 158.66 16.2 Favored 'General case' 0 C--N 1.303 -1.456 0 N-CA-C 103.149 -2.908 . . . . 0.0 103.149 167.813 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 76' ' ' ALA . . . . . 0.573 ' HB2' HD21 ' A' ' 70' ' ' LEU . . . -98.85 145.95 30.83 Favored Pre-proline 0 C--N 1.287 -2.116 0 C-N-CA 118.539 -1.264 . . . . 0.0 110.678 -178.666 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 77' ' ' PRO . . . . . . . . . . . . . 84.4 Cg_exo -53.07 149.94 25.71 Favored 'Trans proline' 0 C--N 1.352 0.747 0 C-N-CA 123.182 2.588 . . . . 0.0 110.454 174.388 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 78' ' ' ASP . . . . . . . . . . . . . 28.7 t70 -57.65 -28.9 64.16 Favored 'General case' 0 C--N 1.315 -0.934 0 C-N-CA 123.956 0.902 . . . . 0.0 111.637 -177.081 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 79' ' ' TRP . . . . . 0.472 ' HB3' ' NE2' ' A' ' 31' ' ' HIS . 69.8 p-90 -81.94 -4.1 55.85 Favored 'General case' 0 C--N 1.319 -0.748 0 N-CA-C 113.348 0.87 . . . . 0.0 113.348 179.878 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 80' ' ' LEU . . . . . 0.411 HD23 ' HB1' ' A' ' 76' ' ' ALA . 33.3 tp -88.39 102.21 14.66 Favored 'General case' 0 C--N 1.312 -1.05 0 N-CA-C 107.216 -1.402 . . . . 0.0 107.216 176.533 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -100.98 158.72 15.79 Favored 'General case' 0 C--N 1.306 -1.323 0 CA-C-O 121.251 0.548 . . . . 0.0 110.36 -177.254 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 82' ' ' ALA . . . . . 0.516 ' HA ' ' O ' ' A' ' 26' ' ' VAL . . . -152.1 133.07 14.21 Favored 'General case' 0 C--N 1.3 -1.559 0 CA-C-N 114.882 -1.054 . . . . 0.0 109.727 177.44 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 8.9 pt-20 -143.05 140.64 18.17 Favored Pre-proline 0 C--N 1.311 -1.082 0 N-CA-C 105.704 -1.962 . . . . 0.0 105.704 174.754 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 84' ' ' PRO . . . . . 0.532 ' HA ' ' O ' ' A' ' 24' ' ' SER . 76.7 Cg_endo -68.44 139.26 44.67 Favored 'Trans proline' 0 N--CA 1.445 -1.374 0 CA-C-N 120.696 1.284 . . . . 0.0 110.806 178.313 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 85' ' ' TYR . . . . . 0.472 ' CD2' ' HB2' ' A' ' 24' ' ' SER 0.257 0.2 OUTLIER . . . . . 0 C--N 1.315 -0.892 0 CA-C-N 113.959 -1.473 . . . . 0.0 114.44 -170.671 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 12.3 m . . . . . 0 C--O 1.238 0.451 0 N-CA-C 109.075 -0.713 . . . . 0.0 109.075 . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . -79.37 107.1 2.5 Favored Glycine 0 N--CA 1.437 -1.292 0 N-CA-C 110.164 -1.174 . . . . 0.0 110.164 179.319 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 56.8 mtm180 -109.11 89.65 3.06 Favored 'General case' 0 C--N 1.307 -1.276 0 N-CA-C 106.442 -1.688 . . . . 0.0 106.442 -179.541 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 7.7 tp10 -84.06 109.18 17.47 Favored 'General case' 0 N--CA 1.43 -1.471 0 N-CA-C 108.359 -0.978 . . . . 0.0 108.359 -175.736 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 11' ' ' ASN . . . . . . . . . . . . . 0.2 OUTLIER -122.45 126.49 48.02 Favored 'General case' 0 C--N 1.298 -1.643 0 N-CA-C 106.135 -1.802 . . . . 0.0 106.135 -177.74 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 2.1 pt? -63.95 114.33 4.03 Favored 'General case' 0 C--N 1.32 -0.707 0 N-CA-C 107.078 -1.453 . . . . 0.0 107.078 175.779 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 13' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER -133.51 99.82 4.62 Favored 'General case' 0 C--N 1.299 -1.62 0 N-CA-C 108.307 -0.997 . . . . 0.0 108.307 -171.68 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 14' ' ' PHE . . . . . . . . . . . . . 79.5 m-85 -83.8 104.35 13.82 Favored 'General case' 0 C--N 1.308 -1.234 0 CA-C-O 121.593 0.711 . . . . 0.0 110.526 -179.602 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 17.2 mm-40 -126.57 158.63 35.72 Favored 'General case' 0 C--N 1.305 -1.344 0 CA-C-N 114.46 -1.245 . . . . 0.0 108.271 -179.338 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . -91.46 89.57 1.46 Allowed Glycine 0 N--CA 1.429 -1.832 0 N-CA-C 107.741 -2.144 . . . . 0.0 107.741 176.348 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 17' ' ' HIS . . . . . . . . . . . . . 4.8 t60 -114.83 116.74 29.07 Favored 'General case' 0 C--N 1.303 -1.433 0 N-CA-C 106.894 -1.521 . . . . 0.0 106.894 -177.06 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 18' ' ' MET . . . . . . . . . . . . . 14.9 tpt -54.88 113.81 1.48 Allowed 'General case' 0 C--N 1.317 -0.811 0 O-C-N 124.211 0.944 . . . . 0.0 112.633 -176.827 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -69.9 120.29 15.41 Favored 'General case' 0 C--N 1.322 -0.591 0 N-CA-C 107.391 -1.337 . . . . 0.0 107.391 175.507 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -90.05 147.26 36.76 Favored Pre-proline 0 C--N 1.298 -1.64 0 CA-C-N 115.498 -0.774 . . . . 0.0 111.159 -173.549 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 21' ' ' PRO . . . . . . . . . . . . . 49.2 Cg_exo -57.77 97.02 0.08 OUTLIER 'Trans proline' 0 C--N 1.352 0.718 0 C-N-CA 122.85 2.367 . . . . 0.0 108.476 171.004 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -100.8 21.55 13.41 Favored 'General case' 0 C--N 1.31 -1.137 0 CA-C-N 114.408 -1.269 . . . . 0.0 114.102 -170.846 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 23' ' ' ARG . . . . . 0.653 ' C ' HG12 ' A' ' 44' ' ' ILE . 81.0 mtp180 59.71 30.75 20.35 Favored 'General case' 0 C--N 1.307 -1.27 0 CA-C-O 122.181 0.991 . . . . 0.0 109.289 -174.945 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 24' ' ' SER . . . . . 0.498 ' O ' ' HA ' ' A' ' 84' ' ' PRO . 74.1 m -155.46 133.38 11.39 Favored 'General case' 0 N--CA 1.447 -0.621 0 C-N-CA 124.046 0.938 . . . . 0.0 110.463 178.909 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 25' ' ' CYS . . . . . . . . . . . . . 64.5 m -107.83 130.98 54.95 Favored 'General case' 0 CA--C 1.493 -1.214 0 N-CA-C 105.588 -2.004 . . . . 0.0 105.588 175.899 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 26' ' ' VAL . . . . . 0.643 HG21 ' HB2' ' A' ' 85' ' ' TYR . 3.6 t -113.23 123.29 68.73 Favored 'Isoleucine or valine' 0 C--N 1.282 -2.357 0 N-CA-C 106.851 -1.537 . . . . 0.0 106.851 -172.138 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 27' ' ' TYR . . . . . . . . . . . . . 6.3 m-85 -96.12 130.81 43.07 Favored 'General case' 0 C--N 1.303 -1.444 0 O-C-N 123.986 0.804 . . . . 0.0 110.819 -173.713 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 28' ' ' TYR . . . . . 0.468 ' HA ' ' O ' ' A' ' 37' ' ' VAL . 88.8 m-85 -127.88 145.9 50.8 Favored 'General case' 0 N--CA 1.421 -1.9 0 CA-C-N 114.202 -1.363 . . . . 0.0 109.607 -178.092 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 13.3 t0 -91.3 103.55 16.19 Favored 'General case' 0 C--N 1.299 -1.611 0 N-CA-C 103.861 -2.644 . . . . 0.0 103.861 171.315 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . -154.35 126.62 1.94 Allowed Glycine 0 N--CA 1.423 -2.184 0 C-N-CA 119.314 -1.422 . . . . 0.0 112.264 179.887 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 31' ' ' HIS . . . . . . . . . . . . . 31.3 p-80 -90.15 -20.41 23.12 Favored 'General case' 0 C--N 1.289 -2.064 0 CA-C-N 112.992 -1.604 . . . . 0.0 108.37 178.225 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 11.1 mp -131.55 150.03 75.18 Favored Pre-proline 0 N--CA 1.438 -1.041 0 N-CA-C 104.026 -2.583 . . . . 0.0 104.026 170.462 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 33' ' ' PRO . . . . . . . . . . . . . 26.8 Cg_endo -67.51 -6.95 17.81 Favored 'Trans proline' 0 CA--C 1.537 0.671 0 C-N-CA 121.811 1.674 . . . . 0.0 110.841 175.437 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -88.74 -24.92 22.55 Favored 'General case' 0 N--CA 1.447 -0.585 0 CA-C-N 115.676 -0.693 . . . . 0.0 110.44 176.889 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 18.0 p -106.64 21.23 17.81 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 121.141 0.496 . . . . 0.0 111.058 -177.091 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 30.9 ptt180 -68.09 125.87 27.72 Favored 'General case' 0 CA--C 1.538 0.492 0 CA-C-N 115.054 -0.975 . . . . 0.0 111.156 -179.87 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 37' ' ' VAL . . . . . 0.468 ' O ' ' HA ' ' A' ' 28' ' ' TYR . 47.5 t -110.67 129.4 65.88 Favored 'Isoleucine or valine' 0 C--N 1.314 -0.97 0 N-CA-C 107.719 -1.215 . . . . 0.0 107.719 177.604 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 2.8 tm? -67.15 110.51 3.48 Favored 'General case' 0 C--N 1.324 -0.543 0 N-CA-C 109.236 -0.653 . . . . 0.0 109.236 -177.825 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 91.3 mt -91.39 -60.97 1.75 Allowed 'General case' 0 C--N 1.315 -0.903 0 CA-C-N 116.313 -0.403 . . . . 0.0 111.479 179.133 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 40' ' ' MET . . . . . . . . . . . . . 45.7 ttm -164.53 152.01 11.76 Favored 'General case' 0 N--CA 1.44 -0.932 0 CA-C-N 116.084 -0.507 . . . . 0.0 110.519 -176.232 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 41' ' ' TYR . . . . . . . . . . . . . 87.9 m-85 -96.13 130.6 43.13 Favored 'General case' 0 C--N 1.32 -0.693 0 N-CA-C 107.56 -1.274 . . . . 0.0 107.56 174.294 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 19.6 t -122.95 109.62 24.23 Favored 'Isoleucine or valine' 0 C--N 1.311 -1.098 0 N-CA-C 108.657 -0.868 . . . . 0.0 108.657 178.462 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 3.4 tmt_? -66.94 138.95 57.65 Favored 'General case' 0 C--N 1.307 -1.268 0 N-CA-C 107.776 -1.194 . . . . 0.0 107.776 -179.759 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 44' ' ' ILE . . . . . 0.653 HG12 ' C ' ' A' ' 23' ' ' ARG . 17.4 mm -59.55 123.18 11.43 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.085 0 CA-C-O 121.386 0.613 . . . . 0.0 110.318 -177.887 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . 106.05 -10.77 44.32 Favored Glycine 0 C--N 1.298 -1.545 0 N-CA-C 110.229 -1.148 . . . . 0.0 110.229 179.017 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 46' ' ' ASN . . . . . . . . . . . . . 41.0 t30 -104.95 157.44 17.22 Favored 'General case' 0 C--N 1.31 -1.131 0 CA-C-O 121.564 0.697 . . . . 0.0 109.499 -179.14 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 47' ' ' THR . . . . . 0.406 ' HA ' ' HA ' ' A' ' 60' ' ' GLU . 27.0 p -106.3 152.97 22.86 Favored 'General case' 0 C--N 1.29 -1.983 0 CA-C-N 114.658 -1.155 . . . . 0.0 109.762 -179.827 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -148.82 145.34 27.49 Favored 'General case' 0 C--N 1.293 -1.873 0 C-N-CA 120.05 -0.66 . . . . 0.0 111.9 177.024 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 49' ' ' THR . . . . . 0.422 ' HA ' ' HA ' ' A' ' 58' ' ' GLU . 45.2 m -101.71 108.51 20.05 Favored 'General case' 0 N--CA 1.436 -1.15 0 N-CA-C 107.385 -1.339 . . . . 0.0 107.385 175.848 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 50' ' ' ILE . . . . . . . . . . . . . 16.7 mm -96.45 110.14 24.17 Favored 'Isoleucine or valine' 0 C--N 1.302 -1.479 0 N-CA-C 109.128 -0.693 . . . . 0.0 109.128 -176.003 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 37.0 m -89.31 124.28 34.27 Favored 'General case' 0 C--N 1.295 -1.768 0 N-CA-C 106.523 -1.658 . . . . 0.0 106.523 170.205 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -144.17 123.3 12.9 Favored 'General case' 0 C--N 1.304 -1.407 0 N-CA-C 106.78 -1.563 . . . . 0.0 106.78 177.525 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 53' ' ' ARG . . . . . . . . . . . . . 83.2 mtt180 66.88 20.2 10.58 Favored 'General case' 0 N--CA 1.468 0.471 0 C-N-CA 124.021 0.928 . . . . 0.0 110.257 179.268 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . 87.42 6.62 77.4 Favored Glycine 0 N--CA 1.445 -0.708 0 CA-C-N 114.663 -1.153 . . . . 0.0 112.901 -179.096 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 55' ' ' HIS . . . . . . . . . . . . . 51.8 m-70 -112.76 133.88 54.55 Favored 'General case' 0 C--N 1.32 -0.675 0 N-CA-C 109.319 -0.623 . . . . 0.0 109.319 179.566 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 5.2 mp0 -91.96 130.06 37.79 Favored 'General case' 0 CA--C 1.505 -0.759 0 C-N-CA 123.608 0.763 . . . . 0.0 111.009 179.225 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 57' ' ' PHE . . . . . . . . . . . . . 89.1 m-85 -120.42 102.77 8.68 Favored 'General case' 0 N--CA 1.42 -1.957 0 N-CA-C 106.379 -1.712 . . . . 0.0 106.379 174.888 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 58' ' ' GLU . . . . . 0.422 ' HA ' ' HA ' ' A' ' 49' ' ' THR . 38.6 tt0 -89.27 115.25 26.62 Favored 'General case' 0 N--CA 1.425 -1.72 0 N-CA-C 106.016 -1.846 . . . . 0.0 106.016 177.867 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 59' ' ' VAL . . . . . 0.593 HG12 HD13 ' A' ' 70' ' ' LEU . 29.2 m -119.75 169.12 11.28 Favored 'Isoleucine or valine' 0 C--N 1.291 -1.944 0 CA-C-N 114.918 -1.037 . . . . 0.0 109.852 -176.185 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 60' ' ' GLU . . . . . 0.406 ' HA ' ' HA ' ' A' ' 47' ' ' THR . 34.6 tt0 -128.88 127.7 42.34 Favored 'General case' 0 C--N 1.286 -2.161 0 N-CA-C 104.86 -2.274 . . . . 0.0 104.86 172.559 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -76.68 92.31 3.52 Favored 'General case' 0 C--N 1.307 -1.279 0 N-CA-C 107.703 -1.221 . . . . 0.0 107.703 177.103 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 29.7 mmmt -72.8 -54.86 7.73 Favored 'General case' 0 C--N 1.319 -0.718 0 CA-C-N 114.255 -1.339 . . . . 0.0 112.475 -173.844 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 12.4 t70 -131.12 159.4 37.74 Favored 'General case' 0 C--N 1.308 -1.215 0 N-CA-C 107.926 -1.139 . . . . 0.0 107.926 -172.129 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 64' ' ' GLN . . . . . 0.58 ' HG2' HG13 ' A' ' 44' ' ' ILE . 35.7 mt-30 -82.49 2.58 32.16 Favored 'General case' 0 N--CA 1.463 0.204 0 CA-C-N 118.111 0.414 . . . . 0.0 111.546 -176.04 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 65' ' ' ASN . . . . . . . . . . . . . 22.2 m-80 -75.52 -14.9 60.43 Favored 'General case' 0 CA--C 1.516 -0.36 0 CA-C-O 121.739 0.781 . . . . 0.0 109.145 173.123 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 66' ' ' CYS . . . . . . . . . . . . . 72.3 m 59.07 44.21 16.4 Favored 'General case' 0 N--CA 1.445 -0.712 0 N-CA-C 115.975 1.843 . . . . 0.0 115.975 172.103 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 4.9 mptp? -79.0 154.75 29.25 Favored 'General case' 0 C--N 1.307 -1.24 0 N-CA-C 107.869 -1.16 . . . . 0.0 107.869 166.537 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 68' ' ' VAL . . . . . 0.511 HG21 HD23 ' A' ' 80' ' ' LEU . 4.5 p -90.22 102.65 13.49 Favored 'Isoleucine or valine' 0 C--N 1.282 -2.331 0 CA-C-N 115.115 -0.948 . . . . 0.0 112.068 -177.562 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 69' ' ' ILE . . . . . . . . . . . . . 3.8 mp -111.72 118.75 58.33 Favored 'Isoleucine or valine' 0 N--CA 1.436 -1.165 0 N-CA-C 105.992 -1.855 . . . . 0.0 105.992 175.747 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 70' ' ' LEU . . . . . 0.722 HD21 ' HB2' ' A' ' 76' ' ' ALA . 3.1 mm? -76.48 161.08 28.93 Favored 'General case' 0 N--CA 1.432 -1.349 0 N-CA-C 108.536 -0.913 . . . . 0.0 108.536 178.708 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 71' ' ' THR . . . . . . . . . . . . . 48.3 p -64.45 -24.94 67.79 Favored 'General case' 0 C--N 1.295 -1.795 0 CA-C-N 115.314 -0.857 . . . . 0.0 112.093 179.562 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 72' ' ' ASN . . . . . . . . . . . . . 23.1 p30 -84.1 -6.61 59.43 Favored 'General case' 0 C--N 1.316 -0.853 0 CA-C-N 115.408 -0.814 . . . . 0.0 110.505 177.565 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 73' ' ' GLY . . . . . . . . . . . . . . . 101.58 -5.98 54.89 Favored Glycine 0 N--CA 1.437 -1.277 0 CA-C-N 115.742 -0.663 . . . . 0.0 113.065 173.96 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 44.5 mtmt -77.16 177.0 8.21 Favored 'General case' 0 N--CA 1.444 -0.774 0 CA-C-O 122.55 1.167 . . . . 0.0 113.992 -178.833 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 75' ' ' GLN . . . . . . . . . . . . . 25.4 mt-30 -102.67 155.44 18.3 Favored 'General case' 0 C--N 1.306 -1.312 0 N-CA-C 104.74 -2.319 . . . . 0.0 104.74 170.322 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 76' ' ' ALA . . . . . 0.722 ' HB2' HD21 ' A' ' 70' ' ' LEU . . . -108.49 169.43 6.56 Favored Pre-proline 0 C--N 1.288 -2.093 0 N-CA-C 108.311 -0.996 . . . . 0.0 108.311 179.582 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 77' ' ' PRO . . . . . . . . . . . . . 32.6 Cg_exo -58.44 154.99 38.22 Favored 'Trans proline' 0 C--N 1.357 0.994 0 C-N-CA 122.459 2.106 . . . . 0.0 112.677 -179.649 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 78' ' ' ASP . . . . . . . . . . . . . 5.9 m-20 -59.12 -29.44 67.39 Favored 'General case' 0 N--CA 1.471 0.588 0 C-N-CA 124.71 1.204 . . . . 0.0 112.227 -174.582 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 79' ' ' TRP . . . . . . . . . . . . . 63.4 p-90 -72.55 -18.89 61.59 Favored 'General case' 0 N--CA 1.444 -0.758 0 CA-C-N 115.905 -0.589 . . . . 0.0 111.344 179.962 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 80' ' ' LEU . . . . . 0.511 HD23 HG21 ' A' ' 68' ' ' VAL . 37.0 tp -83.55 102.2 11.98 Favored 'General case' 0 N--CA 1.432 -1.371 0 N-CA-C 106.111 -1.811 . . . . 0.0 106.111 177.543 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -100.08 156.26 17.28 Favored 'General case' 0 C--N 1.304 -1.379 0 CA-C-N 114.914 -1.039 . . . . 0.0 110.266 -175.587 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 82' ' ' ALA . . . . . 0.543 ' HA ' ' O ' ' A' ' 26' ' ' VAL . . . -148.14 133.11 18.14 Favored 'General case' 0 C--N 1.294 -1.821 0 N-CA-C 107.833 -1.173 . . . . 0.0 107.833 175.338 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 10.0 pt-20 -142.36 146.69 40.3 Favored Pre-proline 0 C--N 1.306 -1.293 0 N-CA-C 103.623 -2.732 . . . . 0.0 103.623 178.108 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 84' ' ' PRO . . . . . 0.498 ' HA ' ' O ' ' A' ' 24' ' ' SER . 67.3 Cg_endo -72.49 152.17 54.06 Favored 'Trans proline' 0 N--CA 1.448 -1.186 0 CA-C-N 121.315 1.505 . . . . 0.0 110.858 176.576 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 85' ' ' TYR . . . . . 0.643 ' HB2' HG21 ' A' ' 26' ' ' VAL 0.288 0.1 OUTLIER . . . . . 0 C--N 1.312 -1.028 0 N-CA-C 114.029 1.122 . . . . 0.0 114.029 -175.489 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 23.3 t . . . . . 0 C--O 1.236 0.374 0 N-CA-C 106.985 -1.487 . . . . 0.0 106.985 . . . . . . . . . 0 0 . 1 . 015 nuclear nobuild full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . -81.46 89.68 1.41 Allowed Glycine 0 N--CA 1.437 -1.237 0 C-N-CA 121.253 -0.499 . . . . 0.0 112.846 -176.762 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 5.1 ptp180 -150.06 98.34 2.69 Favored 'General case' 0 C--N 1.307 -1.24 0 N-CA-C 107.328 -1.36 . . . . 0.0 107.328 174.894 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 10' ' ' GLU . . . . . 0.416 ' H ' ' HG2' ' A' ' 10' ' ' GLU . 8.6 pt-20 -76.72 90.75 3.43 Favored 'General case' 0 C--N 1.302 -1.47 0 CA-C-N 114.043 -1.435 . . . . 0.0 110.742 -176.229 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 11' ' ' ASN . . . . . . . . . . . . . 83.2 m-20 -95.14 155.01 16.91 Favored 'General case' 0 C--N 1.309 -1.171 0 CA-C-N 115.049 -0.978 . . . . 0.0 109.7 -178.353 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 3.7 pp -70.2 172.67 7.74 Favored 'General case' 0 C--N 1.305 -1.329 0 CA-C-N 115.095 -0.957 . . . . 0.0 110.675 178.211 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 13' ' ' TYR . . . . . . . . . . . . . 55.7 t80 -87.13 113.45 22.88 Favored 'General case' 0 C--N 1.304 -1.38 0 N-CA-C 107.658 -1.238 . . . . 0.0 107.658 -179.562 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 14' ' ' PHE . . . . . . . . . . . . . 94.3 m-85 -74.38 139.58 44.17 Favored 'General case' 0 C--N 1.314 -0.974 0 N-CA-C 107.675 -1.232 . . . . 0.0 107.675 177.507 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 51.6 tt0 -44.09 113.55 0.54 Allowed 'General case' 0 C--O 1.237 0.408 0 O-C-N 125.14 1.525 . . . . 0.0 111.801 -175.458 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . -83.84 101.4 2.38 Favored Glycine 0 N--CA 1.424 -2.142 0 CA-C-N 114.404 -1.271 . . . . 0.0 111.077 -178.503 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 17' ' ' HIS . . . . . . . . . . . . . 74.2 m80 -73.0 -179.35 3.19 Favored 'General case' 0 C--N 1.306 -1.317 0 N-CA-C 109.233 -0.654 . . . . 0.0 109.233 179.055 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 18' ' ' MET . . . . . . . . . . . . . 25.4 mmt -58.85 161.11 5.14 Favored 'General case' 0 C--O 1.24 0.593 0 CA-C-O 122.264 1.03 . . . . 0.0 113.455 -175.686 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -114.48 -179.02 3.51 Favored 'General case' 0 C--N 1.3 -1.554 0 CA-C-N 114.53 -1.213 . . . . 0.0 109.098 -177.282 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -53.56 126.4 47.79 Favored Pre-proline 0 C--N 1.318 -0.791 0 O-C-N 124.586 1.179 . . . . 0.0 111.292 179.48 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 21' ' ' PRO . . . . . . . . . . . . . 54.8 Cg_exo -46.4 117.37 1.96 Allowed 'Trans proline' 0 C--N 1.355 0.877 0 C-N-CA 124.221 3.28 . . . . 0.0 112.248 176.416 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -67.55 33.28 0.03 OUTLIER 'General case' 0 C--N 1.31 -1.136 0 N-CA-C 117.667 2.469 . . . . 0.0 117.667 -171.963 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 23' ' ' ARG . . . . . 0.608 ' C ' HG12 ' A' ' 44' ' ' ILE . 77.6 mtt85 57.82 25.03 11.48 Favored 'General case' 0 C--N 1.315 -0.916 0 N-CA-C 114.95 1.463 . . . . 0.0 114.95 178.055 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 24' ' ' SER . . . . . 0.669 ' O ' ' HA ' ' A' ' 84' ' ' PRO . 61.9 m -156.81 139.27 14.87 Favored 'General case' 0 C--N 1.31 -1.139 0 O-C-N 121.525 -0.734 . . . . 0.0 109.919 177.015 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 25' ' ' CYS . . . . . . . . . . . . . 87.8 m -107.87 131.31 54.64 Favored 'General case' 0 CA--C 1.497 -1.08 0 N-CA-C 105.505 -2.035 . . . . 0.0 105.505 178.142 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 26' ' ' VAL . . . . . 0.585 ' O ' ' HA ' ' A' ' 82' ' ' ALA . 3.3 t -108.73 124.51 65.32 Favored 'Isoleucine or valine' 0 C--N 1.291 -1.97 0 N-CA-C 107.748 -1.204 . . . . 0.0 107.748 -174.793 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 27' ' ' TYR . . . . . . . . . . . . . 17.3 m-85 -90.22 128.45 36.39 Favored 'General case' 0 C--N 1.294 -1.847 0 O-C-N 124.818 1.324 . . . . 0.0 110.58 -174.565 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 28' ' ' TYR . . . . . 0.565 ' HB3' ' HB3' ' A' ' 36' ' ' ARG . 96.6 m-85 -128.0 158.01 39.07 Favored 'General case' 0 N--CA 1.417 -2.108 0 CA-C-N 114.222 -1.354 . . . . 0.0 110.055 -178.509 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 15.8 t0 -118.16 100.95 7.85 Favored 'General case' 0 C--N 1.302 -1.471 0 N-CA-C 105.489 -2.041 . . . . 0.0 105.489 177.214 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . -173.95 147.18 9.19 Favored Glycine 0 CA--C 1.487 -1.712 0 C-N-CA 119.986 -1.102 . . . . 0.0 111.368 178.09 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 31' ' ' HIS . . . . . 0.414 ' NE2' ' HB3' ' A' ' 79' ' ' TRP . 36.9 m80 -85.2 -31.47 23.19 Favored 'General case' 0 C--N 1.296 -1.725 0 N-CA-C 108.695 -0.854 . . . . 0.0 108.695 174.801 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 2.2 mm? -119.2 156.99 52.15 Favored Pre-proline 0 N--CA 1.443 -0.804 0 N-CA-C 108.048 -1.093 . . . . 0.0 108.048 -179.179 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 33' ' ' PRO . . . . . . . . . . . . . 10.0 Cg_endo -56.26 -36.45 96.84 Favored 'Trans proline' 0 C--N 1.347 0.458 0 C-N-CA 122.675 2.25 . . . . 0.0 110.671 174.361 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -71.7 -20.03 61.98 Favored 'General case' 0 C--N 1.326 -0.446 0 CA-C-N 115.624 -0.716 . . . . 0.0 111.709 -177.795 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 40.2 p -111.78 11.97 20.95 Favored 'General case' 0 N--CA 1.439 -1.005 0 N-CA-C 112.588 0.588 . . . . 0.0 112.588 -176.557 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 36' ' ' ARG . . . . . 0.565 ' HB3' ' HB3' ' A' ' 28' ' ' TYR . 35.8 mmt180 -68.29 146.77 53.0 Favored 'General case' 0 CA--C 1.52 -0.203 0 CA-C-O 121.497 0.665 . . . . 0.0 110.369 178.355 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 37' ' ' VAL . . . . . 0.466 ' O ' ' HA ' ' A' ' 28' ' ' TYR . 67.2 t -122.98 125.45 72.25 Favored 'Isoleucine or valine' 0 C--N 1.3 -1.584 0 N-CA-C 104.684 -2.339 . . . . 0.0 104.684 174.278 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 8.7 tt -77.2 120.2 21.93 Favored 'General case' 0 C--N 1.312 -1.035 0 C-N-CA 119.969 -0.692 . . . . 0.0 109.868 -178.301 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 71.8 mt -90.6 -46.59 8.2 Favored 'General case' 0 C--N 1.31 -1.126 0 CA-C-N 114.886 -1.052 . . . . 0.0 110.04 -179.112 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 40' ' ' MET . . . . . . . . . . . . . 20.2 ptp 179.02 165.16 0.9 Allowed 'General case' 0 N--CA 1.474 0.75 0 O-C-N 123.713 0.633 . . . . 0.0 112.379 179.689 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 41' ' ' TYR . . . . . . . . . . . . . 26.9 m-85 -101.44 131.8 47.37 Favored 'General case' 0 C--N 1.313 -0.991 0 N-CA-C 106.509 -1.663 . . . . 0.0 106.509 175.99 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 43.3 t -124.47 118.52 53.79 Favored 'Isoleucine or valine' 0 C--N 1.308 -1.197 0 N-CA-C 108.793 -0.817 . . . . 0.0 108.793 178.768 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 12.6 ttt180 -59.66 138.69 57.66 Favored 'General case' 0 C--N 1.31 -1.117 0 N-CA-C 108.779 -0.823 . . . . 0.0 108.779 178.171 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 44' ' ' ILE . . . . . 0.608 HG12 ' C ' ' A' ' 23' ' ' ARG . 21.1 mm -58.85 125.58 15.1 Favored 'Isoleucine or valine' 0 C--N 1.315 -0.915 0 N-CA-C 108.047 -1.094 . . . . 0.0 108.047 176.645 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . 107.47 -21.31 30.87 Favored Glycine 0 C--N 1.294 -1.79 0 CA-C-N 114.939 -1.028 . . . . 0.0 110.926 176.061 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 46' ' ' ASN . . . . . . . . . . . . . 50.0 t30 -93.54 159.69 15.12 Favored 'General case' 0 C--N 1.306 -1.321 0 CA-C-N 114.499 -0.851 . . . . 0.0 110.266 -176.247 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 26.2 p -105.27 153.89 20.99 Favored 'General case' 0 C--N 1.29 -2.017 0 CA-C-N 114.605 -1.179 . . . . 0.0 110.037 178.205 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 48' ' ' ALA . . . . . 0.401 ' O ' ' HA ' ' A' ' 58' ' ' GLU . . . -140.03 140.0 36.1 Favored 'General case' 0 C--N 1.292 -1.915 0 CA-C-N 115.471 -0.786 . . . . 0.0 109.928 177.978 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 2.0 m -106.38 105.04 14.88 Favored 'General case' 0 C--N 1.304 -1.382 0 N-CA-C 105.805 -1.924 . . . . 0.0 105.805 179.21 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 50' ' ' ILE . . . . . . . . . . . . . 9.9 mm -97.45 110.35 25.11 Favored 'Isoleucine or valine' 0 C--N 1.311 -1.065 0 N-CA-C 109.649 -0.5 . . . . 0.0 109.649 -175.346 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 51.6 m -91.06 122.85 34.06 Favored 'General case' 0 C--N 1.297 -1.705 0 N-CA-C 106.088 -1.819 . . . . 0.0 106.088 169.829 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -151.49 123.85 8.32 Favored 'General case' 0 C--N 1.307 -1.258 0 N-CA-C 107.667 -1.235 . . . . 0.0 107.667 178.335 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 53' ' ' ARG . . . . . . . . . . . . . 67.0 mtt180 61.3 28.45 17.95 Favored 'General case' 0 C--N 1.325 -0.496 0 CA-C-O 121.764 0.792 . . . . 0.0 112.526 177.09 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . 91.94 -10.74 73.82 Favored Glycine 0 N--CA 1.441 -0.983 0 CA-C-N 114.867 -1.06 . . . . 0.0 113.125 177.766 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 55' ' ' HIS . . . . . . . . . . . . . 13.3 m-70 -102.14 127.59 49.0 Favored 'General case' 0 C--N 1.308 -1.212 0 CA-C-N 117.289 0.545 . . . . 0.0 110.29 -177.471 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 12.3 mp0 -85.79 116.82 24.28 Favored 'General case' 0 N--CA 1.436 -1.147 0 N-CA-C 107.379 -1.341 . . . . 0.0 107.379 168.827 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 57' ' ' PHE . . . . . . . . . . . . . 83.4 m-85 -104.12 100.2 9.94 Favored 'General case' 0 N--CA 1.424 -1.74 0 N-CA-C 105.459 -2.052 . . . . 0.0 105.459 175.768 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 58' ' ' GLU . . . . . 0.401 ' HA ' ' O ' ' A' ' 48' ' ' ALA . 31.6 tt0 -93.32 111.81 23.56 Favored 'General case' 0 N--CA 1.423 -1.824 0 N-CA-C 106.258 -1.756 . . . . 0.0 106.258 177.178 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 59' ' ' VAL . . . . . 0.416 HG12 HD13 ' A' ' 70' ' ' LEU . 29.9 m -114.96 166.22 9.07 Favored 'Isoleucine or valine' 0 C--N 1.285 -2.23 0 CA-C-N 113.759 -1.564 . . . . 0.0 109.336 -175.178 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 44.0 tt0 -126.4 126.11 43.3 Favored 'General case' 0 C--N 1.282 -2.353 0 N-CA-C 104.951 -2.241 . . . . 0.0 104.951 175.149 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -76.89 89.67 3.49 Favored 'General case' 0 C--N 1.313 -0.99 0 N-CA-C 105.796 -1.928 . . . . 0.0 105.796 175.765 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 30.4 mmmt -61.74 -58.24 8.77 Favored 'General case' 0 C--N 1.315 -0.927 0 CA-C-N 113.953 -1.476 . . . . 0.0 112.009 -172.09 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 23.1 t70 -151.19 173.37 14.5 Favored 'General case' 0 C--N 1.314 -0.974 0 CA-C-N 115.092 -0.958 . . . . 0.0 109.219 -173.515 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 64' ' ' GLN . . . . . . . . . . . . . 16.9 pt20 -64.72 -7.35 10.5 Favored 'General case' 0 C--O 1.238 0.449 0 N-CA-C 115.221 1.563 . . . . 0.0 115.221 -175.436 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 65' ' ' ASN . . . . . . . . . . . . . 19.9 m120 -62.75 -33.79 75.89 Favored 'General case' 0 CA--C 1.515 -0.378 0 N-CA-C 108.161 -1.052 . . . . 0.0 108.161 173.06 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 66' ' ' CYS . . . . . 0.54 ' O ' ' HB3' ' A' ' 82' ' ' ALA . 95.6 m 64.23 31.32 13.17 Favored 'General case' 0 CA--C 1.51 -0.57 0 CA-C-N 114.433 -1.258 . . . . 0.0 113.064 -179.974 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 67' ' ' LYS . . . . . 0.6 ' HA ' ' HE3' ' A' ' 67' ' ' LYS . 0.0 OUTLIER -71.1 134.86 47.35 Favored 'General case' 0 N--CA 1.408 -2.544 0 N-CA-C 106.792 -1.559 . . . . 0.0 106.792 172.415 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 68' ' ' VAL . . . . . 0.411 HG23 HG11 ' A' ' 59' ' ' VAL . 3.3 p -72.34 99.86 0.96 Allowed 'Isoleucine or valine' 0 C--N 1.305 -1.351 0 CA-C-O 122.554 1.169 . . . . 0.0 109.86 177.562 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 69' ' ' ILE . . . . . . . . . . . . . 83.4 mt -116.76 120.39 64.89 Favored 'Isoleucine or valine' 0 C--N 1.299 -1.612 0 N-CA-C 106.227 -1.768 . . . . 0.0 106.227 179.498 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 70' ' ' LEU . . . . . 0.737 HD21 ' HB2' ' A' ' 76' ' ' ALA . 3.6 mm? -76.37 157.34 32.47 Favored 'General case' 0 N--CA 1.422 -1.826 0 CA-C-N 114.458 -1.246 . . . . 0.0 109.725 -176.119 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 71' ' ' THR . . . . . . . . . . . . . 30.4 p -63.48 -28.11 69.74 Favored 'General case' 0 C--N 1.293 -1.855 0 CA-C-N 114.786 -1.097 . . . . 0.0 112.036 -178.904 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 72' ' ' ASN . . . . . . . . . . . . . 34.1 p-10 -94.26 6.81 47.49 Favored 'General case' 0 C--N 1.308 -1.196 0 CA-C-N 115.002 -0.999 . . . . 0.0 109.634 -177.104 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 73' ' ' GLY . . . . . . . . . . . . . . . 88.93 7.76 70.23 Favored Glycine 0 N--CA 1.436 -1.364 0 CA-C-N 114.691 -1.14 . . . . 0.0 112.916 171.896 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 42.1 mtmt -80.91 168.45 18.73 Favored 'General case' 0 N--CA 1.427 -1.61 0 C-N-CA 118.41 -1.316 . . . . 0.0 113.309 178.474 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 75' ' ' GLN . . . . . . . . . . . . . 49.9 mt-30 -97.3 151.5 19.83 Favored 'General case' 0 C--N 1.301 -1.509 0 CA-C-N 112.029 -2.35 . . . . 0.0 105.111 171.209 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 76' ' ' ALA . . . . . 0.737 ' HB2' HD21 ' A' ' 70' ' ' LEU . . . -108.56 164.21 15.24 Favored Pre-proline 0 C--N 1.282 -2.337 0 C-N-CA 120.17 -0.612 . . . . 0.0 110.101 -179.596 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 77' ' ' PRO . . . . . 0.432 ' HD2' ' HB1' ' A' ' 76' ' ' ALA . 49.9 Cg_exo -46.83 149.37 3.2 Favored 'Trans proline' 0 C--N 1.355 0.887 0 C-N-CA 123.685 2.923 . . . . 0.0 114.428 178.871 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 78' ' ' ASP . . . . . . . . . . . . . 30.9 t70 -56.96 -23.48 45.88 Favored 'General case' 0 C--N 1.322 -0.589 0 C-N-CA 125.32 1.448 . . . . 0.0 112.263 -178.061 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 79' ' ' TRP . . . . . 0.414 ' HB3' ' NE2' ' A' ' 31' ' ' HIS . 58.3 p-90 -89.48 -12.35 40.33 Favored 'General case' 0 C--N 1.319 -0.741 0 N-CA-C 112.798 0.666 . . . . 0.0 112.798 179.955 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 80' ' ' LEU . . . . . 0.561 HD23 ' HB1' ' A' ' 76' ' ' ALA . 32.8 tp -91.4 113.92 26.31 Favored 'General case' 0 C--N 1.304 -1.409 0 N-CA-C 106.917 -1.512 . . . . 0.0 106.917 -178.512 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -127.19 161.93 27.36 Favored 'General case' 0 C--N 1.306 -1.292 0 CA-C-O 121.039 0.447 . . . . 0.0 111.178 -175.58 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 82' ' ' ALA . . . . . 0.585 ' HA ' ' O ' ' A' ' 26' ' ' VAL . . . -144.01 140.15 29.42 Favored 'General case' 0 C--N 1.303 -1.433 0 CA-C-N 115.083 -0.962 . . . . 0.0 109.256 174.291 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 8.7 pt-20 -145.7 143.65 20.38 Favored Pre-proline 0 C--N 1.308 -1.204 0 N-CA-C 106.563 -1.643 . . . . 0.0 106.563 178.846 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 84' ' ' PRO . . . . . 0.669 ' HA ' ' O ' ' A' ' 24' ' ' SER . 73.6 Cg_endo -64.22 134.1 40.85 Favored 'Trans proline' 0 C--O 1.24 0.583 0 C-N-CA 122.211 1.941 . . . . 0.0 112.678 -179.805 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 85' ' ' TYR . . . . . 0.412 ' HD2' ' HB2' ' A' ' 24' ' ' SER . 0.6 OUTLIER . . . . . 0 C--N 1.322 -0.59 0 CA-C-N 114.375 -1.284 . . . . 0.0 111.768 -173.402 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 22.2 m . . . . . 0 C--O 1.239 0.544 0 CA-C-O 120.989 0.424 . . . . 0.0 110.521 . . . . . . . . . 0 0 . 1 . 016 nuclear nobuild full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . -149.31 88.22 0.14 Allowed Glycine 0 N--CA 1.433 -1.507 0 N-CA-C 106.655 -2.578 . . . . 0.0 106.655 174.95 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 71.1 mtp180 -123.97 114.62 20.02 Favored 'General case' 0 C--N 1.304 -1.385 0 CA-C-O 121.373 0.606 . . . . 0.0 111.744 -174.279 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -144.68 152.09 39.91 Favored 'General case' 0 N--CA 1.425 -1.691 0 N-CA-C 107.462 -1.311 . . . . 0.0 107.462 173.628 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 11' ' ' ASN . . . . . . . . . . . . . 50.4 t-20 -134.99 89.61 2.54 Favored 'General case' 0 C--N 1.294 -1.809 0 N-CA-C 104.103 -2.554 . . . . 0.0 104.103 175.394 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 4.0 pp -85.43 163.45 18.48 Favored 'General case' 0 C--N 1.307 -1.25 0 CA-C-N 115.251 -0.886 . . . . 0.0 111.563 -175.423 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 13' ' ' TYR . . . . . . . . . . . . . 19.2 m-85 -135.79 143.96 45.5 Favored 'General case' 0 C--N 1.295 -1.788 0 CA-C-N 114.646 -1.161 . . . . 0.0 111.965 -178.023 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 14' ' ' PHE . . . . . . . . . . . . . 81.0 m-85 -128.76 109.64 11.48 Favored 'General case' 0 C--N 1.303 -1.429 0 N-CA-C 105.581 -2.007 . . . . 0.0 105.581 172.204 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 53.6 mt-30 -134.02 164.74 26.64 Favored 'General case' 0 C--N 1.306 -1.286 0 N-CA-C 106.91 -1.515 . . . . 0.0 106.91 -179.838 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . -73.12 89.42 0.58 Allowed Glycine 0 N--CA 1.441 -0.972 0 O-C-N 124.364 1.04 . . . . 0.0 110.714 -178.767 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 17' ' ' HIS . . . . . . . . . . . . . 62.4 m170 -96.85 155.38 16.8 Favored 'General case' 0 C--N 1.308 -1.198 0 N-CA-C 109.061 -0.718 . . . . 0.0 109.061 179.809 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 18' ' ' MET . . . . . . . . . . . . . 9.4 tpt -80.9 176.03 10.17 Favored 'General case' 0 C--N 1.315 -0.906 0 N-CA-C 105.758 -1.941 . . . . 0.0 105.758 175.621 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -28.7 97.22 0.01 OUTLIER 'General case' 0 N--CA 1.489 1.48 0 C-N-CA 125.749 1.619 . . . . 0.0 114.373 -173.645 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -111.11 163.88 16.28 Favored Pre-proline 0 N--CA 1.441 -0.878 0 CA-C-N 113.933 -1.485 . . . . 0.0 109.108 -178.123 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 21' ' ' PRO . . . . . . . . . . . . . 16.5 Cg_exo -70.43 88.59 0.61 Allowed 'Trans proline' 0 N--CA 1.445 -1.377 0 N-CA-C 109.029 -1.181 . . . . 0.0 109.029 172.692 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -101.54 8.15 42.02 Favored 'General case' 0 C--N 1.306 -1.289 0 CA-C-O 122.801 1.286 . . . . 0.0 109.254 179.499 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 23' ' ' ARG . . . . . 0.566 ' C ' HG12 ' A' ' 44' ' ' ILE . 55.9 mtp180 49.55 37.73 13.05 Favored 'General case' 0 C--N 1.303 -1.428 0 CA-C-N 112.229 -2.259 . . . . 0.0 114.281 177.924 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 24' ' ' SER . . . . . 0.607 ' O ' ' HA ' ' A' ' 84' ' ' PRO . 56.5 m -156.28 139.03 15.17 Favored 'General case' 0 C--N 1.32 -0.715 0 N-CA-C 108.89 -0.781 . . . . 0.0 108.89 174.896 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 25' ' ' CYS . . . . . . . . . . . . . 86.4 m -107.68 131.48 54.36 Favored 'General case' 0 N--CA 1.436 -1.152 0 N-CA-C 106.426 -1.694 . . . . 0.0 106.426 176.441 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 26' ' ' VAL . . . . . 0.511 ' CG2' ' HB3' ' A' ' 85' ' ' TYR . 2.6 t -110.66 120.38 61.35 Favored 'Isoleucine or valine' 0 C--N 1.292 -1.919 0 N-CA-C 106.792 -1.558 . . . . 0.0 106.792 -176.417 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 27' ' ' TYR . . . . . . . . . . . . . 28.8 m-85 -94.25 128.77 40.91 Favored 'General case' 0 C--N 1.304 -1.402 0 O-C-N 124.13 0.894 . . . . 0.0 110.21 -175.468 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 28' ' ' TYR . . . . . 0.532 ' HA ' ' O ' ' A' ' 37' ' ' VAL . 86.7 m-85 -124.33 145.78 49.22 Favored 'General case' 0 N--CA 1.418 -2.042 0 CA-C-N 114.183 -1.371 . . . . 0.0 109.288 179.563 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 29' ' ' ASP . . . . . 0.404 ' HB3' ' HB ' ' A' ' 37' ' ' VAL . 8.0 t0 -98.35 108.65 21.39 Favored 'General case' 0 C--N 1.298 -1.645 0 N-CA-C 104.84 -2.281 . . . . 0.0 104.84 172.794 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . -170.1 134.82 3.29 Favored Glycine 0 N--CA 1.426 -2.021 0 C-N-CA 119.315 -1.422 . . . . 0.0 112.378 179.12 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 31' ' ' HIS . . . . . . . . . . . . . 22.7 m80 -71.47 -46.89 58.7 Favored 'General case' 0 C--N 1.3 -1.578 0 N-CA-C 106.684 -1.599 . . . . 0.0 106.684 -178.59 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 3.4 mm? -120.25 161.69 37.61 Favored Pre-proline 0 C--N 1.316 -0.887 0 N-CA-C 106.371 -1.714 . . . . 0.0 106.371 176.96 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 33' ' ' PRO . . . . . 0.553 ' O ' ' HG2' ' A' ' 36' ' ' ARG . 14.4 Cg_endo -63.04 -13.38 34.9 Favored 'Trans proline' 0 CA--C 1.54 0.794 0 C-N-CA 122.403 2.069 . . . . 0.0 111.663 174.936 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -78.64 -13.84 59.62 Favored 'General case' 0 C--N 1.32 -0.696 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.489 175.601 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 36.2 p -119.01 5.82 11.34 Favored 'General case' 0 C--N 1.322 -0.592 0 N-CA-C 112.62 0.6 . . . . 0.0 112.62 -176.259 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 36' ' ' ARG . . . . . 0.553 ' HG2' ' O ' ' A' ' 33' ' ' PRO . 34.7 ptt180 -61.86 114.63 3.45 Favored 'General case' 0 CA--C 1.537 0.469 0 N-CA-C 113.146 0.795 . . . . 0.0 113.146 -177.45 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 37' ' ' VAL . . . . . 0.532 ' O ' ' HA ' ' A' ' 28' ' ' TYR . 72.3 t -101.6 127.67 54.75 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.588 0 N-CA-C 107.732 -1.21 . . . . 0.0 107.732 -179.354 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 2.7 tm? -67.59 110.9 3.89 Favored 'General case' 0 C--N 1.316 -0.884 0 N-CA-C 108.833 -0.802 . . . . 0.0 108.833 -177.495 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 96.6 mt -90.98 -61.53 1.65 Allowed 'General case' 0 C--N 1.322 -0.608 0 CA-C-N 116.754 -0.203 . . . . 0.0 111.058 178.955 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 40' ' ' MET . . . . . . . . . . . . . 29.0 ttp -170.06 156.98 6.27 Favored 'General case' 0 N--CA 1.445 -0.704 0 CA-C-N 116.292 -0.413 . . . . 0.0 110.203 -177.8 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 41' ' ' TYR . . . . . . . . . . . . . 34.6 m-85 -98.29 138.98 34.75 Favored 'General case' 0 C--N 1.315 -0.911 0 C-N-CA 124.385 1.074 . . . . 0.0 108.82 175.807 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 46.0 t -127.59 128.59 69.81 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.812 0 N-CA-C 107.692 -1.225 . . . . 0.0 107.692 176.6 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 43' ' ' ARG . . . . . 0.447 ' HD2' ' OG ' ' A' ' 24' ' ' SER . 2.8 tpt180 -75.01 138.39 42.17 Favored 'General case' 0 C--N 1.307 -1.28 0 N-CA-C 108.364 -0.976 . . . . 0.0 108.364 -178.245 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 44' ' ' ILE . . . . . 0.566 HG12 ' C ' ' A' ' 23' ' ' ARG . 45.4 mm -59.7 120.79 6.02 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.113 0 CA-C-O 121.781 0.8 . . . . 0.0 110.012 178.211 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . 113.03 -10.97 24.81 Favored Glycine 0 C--N 1.292 -1.873 0 CA-C-N 114.512 -1.222 . . . . 0.0 110.613 177.555 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 46' ' ' ASN . . . . . . . . . . . . . 54.2 t30 -108.81 158.49 17.6 Favored 'General case' 0 C--N 1.31 -1.126 0 CA-C-O 121.77 0.795 . . . . 0.0 110.505 -177.194 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 40.2 p -108.6 152.78 24.31 Favored 'General case' 0 C--N 1.291 -1.959 0 CA-C-N 114.535 -1.211 . . . . 0.0 108.236 177.728 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -153.66 149.76 27.88 Favored 'General case' 0 C--N 1.295 -1.783 0 C-N-CA 120.251 -0.58 . . . . 0.0 111.041 -179.135 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 26.5 m -103.97 116.25 31.92 Favored 'General case' 0 C--N 1.303 -1.434 0 N-CA-C 108.452 -0.944 . . . . 0.0 108.452 178.528 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 50' ' ' ILE . . . . . . . . . . . . . 10.8 mm -106.03 113.92 44.04 Favored 'Isoleucine or valine' 0 C--O 1.211 -0.928 0 N-CA-C 108.778 -0.823 . . . . 0.0 108.778 -178.455 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 19.5 m -87.32 123.49 32.36 Favored 'General case' 0 C--N 1.297 -1.707 0 C-N-CA 116.92 -1.912 . . . . 0.0 105.844 172.16 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -146.42 121.78 10.28 Favored 'General case' 0 C--N 1.306 -1.323 0 N-CA-C 107.682 -1.229 . . . . 0.0 107.682 179.77 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 53' ' ' ARG . . . . . 0.455 ' HD2' ' CZ2' ' A' ' 79' ' ' TRP . 85.1 mtt180 61.96 22.66 13.23 Favored 'General case' 0 C--N 1.323 -0.551 0 C-N-CA 124.985 1.314 . . . . 0.0 111.233 -179.212 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . 89.66 3.53 74.24 Favored Glycine 0 N--CA 1.447 -0.627 0 CA-C-N 115.156 -0.929 . . . . 0.0 113.039 -179.23 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 55' ' ' HIS . . . . . . . . . . . . . 69.5 m-70 -107.98 127.9 54.17 Favored 'General case' 0 C--N 1.313 -0.993 0 N-CA-C 108.46 -0.941 . . . . 0.0 108.46 176.927 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 8.6 mt-10 -90.1 116.78 28.38 Favored 'General case' 0 C--N 1.306 -1.314 0 N-CA-C 109.094 -0.706 . . . . 0.0 109.094 173.701 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 57' ' ' PHE . . . . . . . . . . . . . 90.0 m-85 -101.62 104.48 15.34 Favored 'General case' 0 N--CA 1.414 -2.251 0 N-CA-C 106.936 -1.505 . . . . 0.0 106.936 180.0 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 34.0 tt0 -91.1 110.28 21.54 Favored 'General case' 0 N--CA 1.421 -1.901 0 N-CA-C 103.193 -2.892 . . . . 0.0 103.193 177.286 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 59' ' ' VAL . . . . . 0.618 HG12 HD13 ' A' ' 70' ' ' LEU . 22.0 m -112.37 165.09 7.56 Favored 'Isoleucine or valine' 0 C--N 1.292 -1.898 0 CA-C-N 115.409 -0.814 . . . . 0.0 110.609 -174.898 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 38.1 tt0 -124.77 104.64 8.75 Favored 'General case' 0 N--CA 1.418 -2.034 0 N-CA-C 105.377 -2.083 . . . . 0.0 105.377 176.555 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -78.0 88.51 4.15 Favored 'General case' 0 C--N 1.317 -0.806 0 N-CA-C 106.29 -1.745 . . . . 0.0 106.29 178.5 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 19.3 ptmt -84.55 -35.01 23.12 Favored 'General case' 0 C--N 1.302 -1.468 0 N-CA-C 114.456 1.28 . . . . 0.0 114.456 -173.333 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 19.9 t70 -146.19 155.98 43.09 Favored 'General case' 0 C--N 1.317 -0.82 0 N-CA-C 109.584 -0.525 . . . . 0.0 109.584 -175.902 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 64' ' ' GLN . . . . . . . . . . . . . 0.9 OUTLIER -62.51 -5.69 2.78 Favored 'General case' 0 C--N 1.326 -0.436 0 C-N-CA 125.423 1.489 . . . . 0.0 114.626 -179.434 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 65' ' ' ASN . . . . . 0.433 ' OD1' ' HB2' ' A' ' 67' ' ' LYS . 22.4 t-20 -66.09 -32.36 73.77 Favored 'General case' 0 C--N 1.33 -0.281 0 N-CA-C 108.241 -1.022 . . . . 0.0 108.241 171.564 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 66' ' ' CYS . . . . . 0.479 ' O ' ' HB3' ' A' ' 82' ' ' ALA . 84.0 m 62.55 32.91 16.27 Favored 'General case' 0 CA--C 1.51 -0.561 0 N-CA-C 114.976 1.473 . . . . 0.0 114.976 176.751 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 67' ' ' LYS . . . . . 0.534 ' HA ' ' HE3' ' A' ' 67' ' ' LYS . 0.0 OUTLIER -67.59 132.11 46.92 Favored 'General case' 0 N--CA 1.412 -2.346 0 N-CA-C 107.462 -1.31 . . . . 0.0 107.462 171.4 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 68' ' ' VAL . . . . . 0.501 HG21 HD23 ' A' ' 80' ' ' LEU . 7.1 p -71.67 106.18 2.15 Favored 'Isoleucine or valine' 0 C--N 1.307 -1.266 0 CA-C-O 122.735 1.255 . . . . 0.0 110.999 179.314 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 69' ' ' ILE . . . . . . . . . . . . . 95.8 mt -124.46 119.68 57.05 Favored 'Isoleucine or valine' 0 N--CA 1.428 -1.566 0 N-CA-C 106.13 -1.804 . . . . 0.0 106.13 179.231 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 70' ' ' LEU . . . . . 0.746 HD21 ' HB2' ' A' ' 76' ' ' ALA . 2.9 mm? -79.76 157.21 27.17 Favored 'General case' 0 N--CA 1.426 -1.672 0 CA-C-N 114.841 -1.072 . . . . 0.0 109.558 -177.145 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 71' ' ' THR . . . . . . . . . . . . . 55.6 p -64.22 -23.6 67.37 Favored 'General case' 0 C--N 1.292 -1.928 0 CA-C-N 114.359 -1.292 . . . . 0.0 111.444 178.478 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 72' ' ' ASN . . . . . . . . . . . . . 57.0 m-80 -78.22 -6.68 55.63 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 115.156 -0.929 . . . . 0.0 109.72 178.439 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 73' ' ' GLY . . . . . . . . . . . . . . . 83.77 32.59 23.84 Favored Glycine 0 CA--C 1.495 -1.202 0 N-CA-C 109.843 -1.303 . . . . 0.0 109.843 177.45 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 74.1 mmtt -114.1 169.66 8.85 Favored 'General case' 0 N--CA 1.43 -1.428 0 CA-C-N 114.268 -0.966 . . . . 0.0 111.77 -175.837 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 75' ' ' GLN . . . . . . . . . . . . . 55.5 mt-30 -97.7 147.61 24.17 Favored 'General case' 0 C--N 1.31 -1.119 0 CA-C-N 113.895 -1.502 . . . . 0.0 106.995 172.328 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 76' ' ' ALA . . . . . 0.746 ' HB2' HD21 ' A' ' 70' ' ' LEU . . . -104.57 170.93 5.48 Favored Pre-proline 0 C--N 1.301 -1.536 0 N-CA-C 107.45 -1.315 . . . . 0.0 107.45 177.699 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 77' ' ' PRO . . . . . . . . . . . . . 56.9 Cg_exo -58.55 156.06 33.5 Favored 'Trans proline' 0 C--N 1.349 0.567 0 C-N-CA 122.216 1.944 . . . . 0.0 113.087 178.61 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 78' ' ' ASP . . . . . . . . . . . . . 8.5 p-10 -63.06 -24.77 68.06 Favored 'General case' 0 C--N 1.317 -0.815 0 C-N-CA 124.122 0.969 . . . . 0.0 111.702 -178.012 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 79' ' ' TRP . . . . . 0.455 ' CZ2' ' HD2' ' A' ' 53' ' ' ARG . 53.4 p-90 -77.0 -16.07 59.44 Favored 'General case' 0 N--CA 1.45 -0.47 0 CA-C-O 120.972 0.415 . . . . 0.0 111.704 179.827 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 80' ' ' LEU . . . . . 0.501 HD23 HG21 ' A' ' 68' ' ' VAL . 50.9 tp -87.25 99.01 11.65 Favored 'General case' 0 N--CA 1.435 -1.179 0 N-CA-C 107.334 -1.358 . . . . 0.0 107.334 -179.299 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -109.43 125.64 52.63 Favored 'General case' 0 C--N 1.303 -1.44 0 C-N-CA 119.858 -0.737 . . . . 0.0 112.066 -173.769 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 82' ' ' ALA . . . . . 0.479 ' HB3' ' O ' ' A' ' 66' ' ' CYS . . . -111.25 135.9 51.12 Favored 'General case' 0 C--N 1.298 -1.647 0 N-CA-C 108.418 -0.956 . . . . 0.0 108.418 174.56 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 8.3 pt-20 -139.54 141.73 29.42 Favored Pre-proline 0 C--N 1.305 -1.342 0 N-CA-C 107.171 -1.418 . . . . 0.0 107.171 177.332 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 84' ' ' PRO . . . . . 0.607 ' HA ' ' O ' ' A' ' 24' ' ' SER . 52.0 Cg_endo -71.0 132.4 21.28 Favored 'Trans proline' 0 CA--C 1.542 0.898 0 C-N-CA 122.379 2.052 . . . . 0.0 111.754 -178.631 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 85' ' ' TYR . . . . . 0.607 ' CD1' ' HB2' ' A' ' 24' ' ' SER 0.305 0.2 OUTLIER . . . . . 0 C--O 1.246 0.888 0 N-CA-C 116.673 2.101 . . . . 0.0 116.673 -170.553 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 13.9 p . . . . . 0 C--O 1.237 0.409 0 N-CA-C 109.38 -0.6 . . . . 0.0 109.38 . . . . . . . . . 0 0 . 1 . 017 nuclear nobuild full ' A' A ' 8' ' ' GLY . . . . . 0.495 ' HA3' ' HB3' ' A' ' 31' ' ' HIS . . . -107.51 89.73 0.6 Allowed Glycine 0 N--CA 1.43 -1.733 0 C-N-CA 120.555 -0.831 . . . . 0.0 112.057 -179.297 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 28.8 ptt180 -112.04 158.37 19.64 Favored 'General case' 0 C--N 1.307 -1.28 0 N-CA-C 105.767 -1.938 . . . . 0.0 105.767 175.768 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 39.0 tt0 -77.12 93.89 3.97 Favored 'General case' 0 N--CA 1.434 -1.26 0 CA-C-O 122.111 0.958 . . . . 0.0 111.135 -177.841 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 11' ' ' ASN . . . . . . . . . . . . . 40.8 t30 -126.04 151.35 47.25 Favored 'General case' 0 C--N 1.295 -1.768 0 N-CA-C 104.183 -2.525 . . . . 0.0 104.183 173.095 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 4.6 pp -80.88 143.51 32.67 Favored 'General case' 0 C--N 1.305 -1.346 0 C-N-CA 119.419 -0.913 . . . . 0.0 109.173 179.93 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 13' ' ' TYR . . . . . . . . . . . . . 78.6 m-85 -149.02 167.99 24.33 Favored 'General case' 0 C--N 1.282 -2.351 0 N-CA-C 105.02 -2.215 . . . . 0.0 105.02 179.443 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 14' ' ' PHE . . . . . . . . . . . . . 52.1 t80 -73.34 148.71 43.2 Favored 'General case' 0 C--N 1.31 -1.131 0 N-CA-C 107.16 -1.422 . . . . 0.0 107.16 175.516 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 51.3 mt-30 -80.38 177.11 9.2 Favored 'General case' 0 C--N 1.309 -1.19 0 CA-C-O 121.356 0.598 . . . . 0.0 110.106 -178.224 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . -78.69 145.59 29.02 Favored Glycine 0 N--CA 1.427 -1.905 0 N-CA-C 107.541 -2.224 . . . . 0.0 107.541 174.936 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 17' ' ' HIS . . . . . . . . . . . . . 62.0 m80 -64.72 126.99 29.68 Favored 'General case' 0 C--N 1.309 -1.184 0 N-CA-C 106.511 -1.663 . . . . 0.0 106.511 178.737 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 18' ' ' MET . . . . . . . . . . . . . 16.1 tpt -56.78 121.59 10.18 Favored 'General case' 0 C--N 1.321 -0.635 0 CA-C-O 121.641 0.734 . . . . 0.0 112.461 -172.113 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -84.15 140.17 31.94 Favored 'General case' 0 N--CA 1.429 -1.49 0 CA-C-N 114.407 -1.27 . . . . 0.0 108.768 -178.914 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -89.39 145.27 33.6 Favored Pre-proline 0 C--N 1.302 -1.467 0 CA-C-N 115.347 -0.842 . . . . 0.0 109.195 -179.356 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 21' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -57.8 115.92 2.86 Favored 'Trans proline' 0 CA--C 1.534 0.522 0 C-N-CA 122.9 2.4 . . . . 0.0 110.417 177.67 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -128.33 19.99 6.3 Favored 'General case' 0 C--N 1.314 -0.953 0 N-CA-C 113.742 1.015 . . . . 0.0 113.742 -173.373 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 23' ' ' ARG . . . . . 0.534 ' C ' HG12 ' A' ' 44' ' ' ILE . 19.7 ttm-85 65.34 25.18 12.1 Favored 'General case' 0 C--N 1.304 -1.398 0 C-N-CA 125.073 1.349 . . . . 0.0 114.203 179.551 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 24' ' ' SER . . . . . 0.709 ' O ' ' HA ' ' A' ' 84' ' ' PRO . 74.7 m -155.01 141.48 18.75 Favored 'General case' 0 C--N 1.315 -0.896 0 O-C-N 120.114 -1.616 . . . . 0.0 109.315 172.854 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 25' ' ' CYS . . . . . . . . . . . . . 94.8 m -107.66 131.41 54.42 Favored 'General case' 0 CA--C 1.497 -1.066 0 N-CA-C 106.78 -1.563 . . . . 0.0 106.78 177.74 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 26' ' ' VAL . . . . . 0.601 ' O ' ' HA ' ' A' ' 82' ' ' ALA . 2.9 t -112.39 123.35 68.03 Favored 'Isoleucine or valine' 0 C--N 1.291 -1.953 0 N-CA-C 106.913 -1.514 . . . . 0.0 106.913 -176.144 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 27' ' ' TYR . . . . . 0.438 ' HA ' ' O ' ' A' ' 81' ' ' ALA . 58.1 m-85 -93.96 135.22 35.53 Favored 'General case' 0 C--N 1.295 -1.8 0 O-C-N 124.436 1.085 . . . . 0.0 109.962 -174.627 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 28' ' ' TYR . . . . . 0.443 ' CE2' ' HG2' ' A' ' 83' ' ' GLU . 37.4 m-85 -127.53 146.63 50.45 Favored 'General case' 0 N--CA 1.42 -1.957 0 CA-C-N 114.691 -1.141 . . . . 0.0 108.68 -179.048 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 15.7 t0 -97.97 107.06 19.45 Favored 'General case' 0 C--N 1.293 -1.887 0 N-CA-C 104.46 -2.422 . . . . 0.0 104.46 173.335 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . -162.88 129.2 1.99 Allowed Glycine 0 N--CA 1.425 -2.086 0 C-N-CA 118.015 -2.04 . . . . 0.0 114.864 -179.31 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 31' ' ' HIS . . . . . 0.495 ' HB3' ' HA3' ' A' ' 8' ' ' GLY . 31.0 m170 -73.66 -34.27 64.87 Favored 'General case' 0 C--N 1.299 -1.596 0 CA-C-N 112.685 -1.758 . . . . 0.0 107.836 177.492 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 28.8 mt -129.3 157.55 75.8 Favored Pre-proline 0 N--CA 1.44 -0.937 0 N-CA-C 104.604 -2.369 . . . . 0.0 104.604 179.842 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 33' ' ' PRO . . . . . . . . . . . . . 39.4 Cg_endo -69.61 -6.89 19.61 Favored 'Trans proline' 0 CA--C 1.536 0.587 0 C-N-CA 121.878 1.719 . . . . 0.0 110.836 174.61 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -90.58 -47.13 7.87 Favored 'General case' 0 N--CA 1.45 -0.459 0 CA-C-O 121.424 0.63 . . . . 0.0 110.848 -178.121 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 17.1 p -93.76 21.7 6.24 Favored 'General case' 0 C--N 1.315 -0.902 0 N-CA-C 112.85 0.685 . . . . 0.0 112.85 -174.485 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 35.9 ptt180 -76.96 160.43 29.17 Favored 'General case' 0 C--N 1.315 -0.928 0 N-CA-C 112.497 0.554 . . . . 0.0 112.497 -176.427 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 37' ' ' VAL . . . . . 0.411 ' O ' ' HA ' ' A' ' 28' ' ' TYR . 46.9 t -127.69 133.65 67.15 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 N-CA-C 107.944 -1.132 . . . . 0.0 107.944 -176.119 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 2.5 tm? -72.39 112.76 8.74 Favored 'General case' 0 C--N 1.317 -0.84 0 N-CA-C 108.211 -1.033 . . . . 0.0 108.211 -179.274 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 98.1 mt -91.1 -61.76 1.59 Allowed 'General case' 0 C--N 1.32 -0.698 0 N-CA-C 112.368 0.507 . . . . 0.0 112.368 179.928 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 40' ' ' MET . . . . . . . . . . . . . 2.2 ttp -169.67 159.74 8.4 Favored 'General case' 0 CA--C 1.509 -0.616 0 CA-C-O 120.855 0.36 . . . . 0.0 110.977 -174.891 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 41' ' ' TYR . . . . . . . . . . . . . 17.6 m-85 -104.5 138.37 40.97 Favored 'General case' 0 C--N 1.31 -1.126 0 N-CA-C 107.676 -1.231 . . . . 0.0 107.676 178.122 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 29.7 t -130.32 119.26 45.94 Favored 'Isoleucine or valine' 0 C--N 1.308 -1.198 0 N-CA-C 108.781 -0.822 . . . . 0.0 108.781 176.807 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 3.3 tmt_? -63.2 133.67 54.68 Favored 'General case' 0 C--N 1.311 -1.082 0 N-CA-C 108.861 -0.792 . . . . 0.0 108.861 177.384 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 44' ' ' ILE . . . . . 0.567 HG13 ' HG2' ' A' ' 64' ' ' GLN . 21.5 mm -59.61 120.4 5.37 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.101 0 O-C-N 123.529 0.518 . . . . 0.0 109.945 -179.959 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . 105.19 3.62 41.51 Favored Glycine 0 C--N 1.301 -1.383 0 N-CA-C 110.279 -1.128 . . . . 0.0 110.279 -179.413 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 46' ' ' ASN . . . . . . . . . . . . . 54.0 t30 -118.78 160.16 22.4 Favored 'General case' 0 N--CA 1.437 -1.078 0 CA-C-O 121.647 0.737 . . . . 0.0 109.798 179.126 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 18.2 p -107.53 157.18 18.24 Favored 'General case' 0 C--N 1.289 -2.058 0 CA-C-N 114.657 -1.156 . . . . 0.0 109.055 178.111 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -154.48 143.13 20.78 Favored 'General case' 0 C--N 1.3 -1.579 0 CA-C-N 116.195 -0.457 . . . . 0.0 112.145 176.712 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 27.3 m -94.23 106.4 18.38 Favored 'General case' 0 C--N 1.311 -1.07 0 N-CA-C 107.119 -1.437 . . . . 0.0 107.119 175.981 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 50' ' ' ILE . . . . . . . . . . . . . 22.9 mm -96.89 110.87 25.7 Favored 'Isoleucine or valine' 0 C--N 1.312 -1.034 0 N-CA-C 109.01 -0.737 . . . . 0.0 109.01 -176.956 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 11.2 m -94.37 123.49 37.81 Favored 'General case' 0 C--N 1.294 -1.844 0 C-N-CA 116.96 -1.896 . . . . 0.0 106.909 172.715 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -142.65 127.96 18.79 Favored 'General case' 0 C--N 1.308 -1.2 0 N-CA-C 106.941 -1.503 . . . . 0.0 106.941 179.651 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 53' ' ' ARG . . . . . . . . . . . . . 71.8 mtt180 58.4 25.57 13.05 Favored 'General case' 0 N--CA 1.473 0.7 0 C-N-CA 124.923 1.289 . . . . 0.0 110.938 -177.38 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . 83.86 5.32 88.03 Favored Glycine 0 N--CA 1.442 -0.965 0 CA-C-N 115.02 -0.991 . . . . 0.0 112.855 -179.525 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 55' ' ' HIS . . . . . . . . . . . . . 70.3 m-70 -106.66 131.98 53.18 Favored 'General case' 0 C--N 1.319 -0.746 0 N-CA-C 108.813 -0.81 . . . . 0.0 108.813 179.223 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 2.3 mp0 -94.86 127.34 40.81 Favored 'General case' 0 N--CA 1.433 -1.323 0 CA-C-O 121.075 0.464 . . . . 0.0 109.909 176.466 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 57' ' ' PHE . . . . . . . . . . . . . 83.4 m-85 -114.94 107.48 15.44 Favored 'General case' 0 N--CA 1.418 -2.066 0 N-CA-C 105.668 -1.975 . . . . 0.0 105.668 177.562 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 34.7 tt0 -87.46 110.11 20.07 Favored 'General case' 0 N--CA 1.425 -1.699 0 N-CA-C 104.543 -2.391 . . . . 0.0 104.543 178.556 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 59' ' ' VAL . . . . . 0.559 ' HA ' ' HA ' ' A' ' 70' ' ' LEU . 16.5 m -106.81 160.47 6.2 Favored 'Isoleucine or valine' 0 C--N 1.298 -1.634 0 CA-C-N 115.842 -0.617 . . . . 0.0 110.376 -175.409 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 33.9 tt0 -123.88 113.8 18.98 Favored 'General case' 0 C--N 1.297 -1.679 0 N-CA-C 104.111 -2.551 . . . . 0.0 104.111 174.236 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -76.5 90.85 3.3 Favored 'General case' 0 C--N 1.312 -1.038 0 N-CA-C 108.963 -0.755 . . . . 0.0 108.963 -179.925 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 75.2 mmtt -64.82 -58.75 5.38 Favored 'General case' 0 C--N 1.32 -0.701 0 CA-C-N 113.791 -1.549 . . . . 0.0 113.04 -175.611 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 23.1 t70 -148.98 165.73 30.74 Favored 'General case' 0 C--N 1.306 -1.283 0 CA-C-N 114.943 -1.026 . . . . 0.0 109.375 -172.695 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 64' ' ' GLN . . . . . 0.567 ' HG2' HG13 ' A' ' 44' ' ' ILE . 37.9 mt-30 -73.22 0.82 10.72 Favored 'General case' 0 C--N 1.33 -0.256 0 C-N-CA 124.471 1.108 . . . . 0.0 112.38 -174.39 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 65' ' ' ASN . . . . . . . . . . . . . 62.9 t30 -69.82 -26.2 64.12 Favored 'General case' 0 C--N 1.326 -0.448 0 N-CA-C 107.689 -1.226 . . . . 0.0 107.689 172.145 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 66' ' ' CYS . . . . . . . . . . . . . 78.4 m 59.02 45.46 14.78 Favored 'General case' 0 C--N 1.329 -0.301 0 N-CA-C 116.001 1.852 . . . . 0.0 116.001 174.13 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 67' ' ' LYS . . . . . 0.539 ' HA ' ' HE3' ' A' ' 67' ' ' LYS . 0.1 OUTLIER -76.29 136.4 39.62 Favored 'General case' 0 N--CA 1.417 -2.088 0 N-CA-C 106.101 -1.815 . . . . 0.0 106.101 169.223 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 68' ' ' VAL . . . . . 0.424 HG21 HD23 ' A' ' 80' ' ' LEU . 7.5 p -75.82 103.7 3.55 Favored 'Isoleucine or valine' 0 C--N 1.305 -1.365 0 CA-C-O 122.438 1.114 . . . . 0.0 110.373 177.594 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 69' ' ' ILE . . . . . . . . . . . . . 93.8 mt -120.99 123.22 69.65 Favored 'Isoleucine or valine' 0 C--N 1.302 -1.494 0 N-CA-C 106.162 -1.792 . . . . 0.0 106.162 179.671 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 70' ' ' LEU . . . . . 0.559 ' HA ' ' HA ' ' A' ' 59' ' ' VAL . 1.4 mm? -81.75 160.53 23.58 Favored 'General case' 0 N--CA 1.412 -2.349 0 N-CA-C 108.11 -1.07 . . . . 0.0 108.11 -178.938 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 71' ' ' THR . . . . . . . . . . . . . 37.3 p -54.48 -30.93 54.77 Favored 'General case' 0 C--N 1.288 -2.087 0 N-CA-C 114.395 1.257 . . . . 0.0 114.395 -179.682 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 72' ' ' ASN . . . . . 0.416 ' OD1' ' HB2' ' A' ' 70' ' ' LEU . 14.2 p30 -73.67 -15.76 61.23 Favored 'General case' 0 C--N 1.309 -1.156 0 CA-C-N 115.462 -0.79 . . . . 0.0 110.621 178.91 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 73' ' ' GLY . . . . . . . . . . . . . . . 105.75 2.46 39.99 Favored Glycine 0 CA--C 1.508 -0.395 0 CA-C-N 115.53 -0.759 . . . . 0.0 112.257 174.134 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 69.4 mmtt -87.99 166.62 14.35 Favored 'General case' 0 C--N 1.304 -1.403 0 CA-C-N 114.946 -0.627 . . . . 0.0 110.429 -177.526 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 75' ' ' GLN . . . . . . . . . . . . . 50.2 tt0 -103.07 141.76 35.28 Favored 'General case' 0 C--N 1.294 -1.821 0 N-CA-C 106.232 -1.766 . . . . 0.0 106.232 174.495 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 76' ' ' ALA . . . . . 0.451 ' CB ' HD23 ' A' ' 80' ' ' LEU . . . -82.72 175.63 4.6 Favored Pre-proline 0 C--N 1.303 -1.454 0 CA-C-O 118.981 -0.533 . . . . 0.0 110.677 -177.628 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 77' ' ' PRO . . . . . . . . . . . . . 51.4 Cg_exo -58.64 150.25 71.07 Favored 'Trans proline' 0 C--N 1.364 1.371 0 C-N-CA 122.551 2.168 . . . . 0.0 111.834 177.175 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 78' ' ' ASP . . . . . . . . . . . . . 23.9 t70 -49.84 -32.02 13.28 Favored 'General case' 0 C--N 1.322 -0.62 0 C-N-CA 125.276 1.43 . . . . 0.0 113.441 -178.251 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 79' ' ' TRP . . . . . . . . . . . . . 66.5 p-90 -74.08 -19.39 60.62 Favored 'General case' 0 C--N 1.329 -0.325 0 N-CA-C 112.687 0.625 . . . . 0.0 112.687 -179.183 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 80' ' ' LEU . . . . . 0.451 HD23 ' CB ' ' A' ' 76' ' ' ALA . 38.7 tp -85.26 107.89 17.51 Favored 'General case' 0 N--CA 1.434 -1.265 0 N-CA-C 107.497 -1.298 . . . . 0.0 107.497 179.855 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 81' ' ' ALA . . . . . 0.438 ' O ' ' HA ' ' A' ' 27' ' ' TYR . . . -108.7 164.31 12.48 Favored 'General case' 0 C--N 1.308 -1.196 0 CA-C-N 115.858 -0.61 . . . . 0.0 111.023 -176.294 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 82' ' ' ALA . . . . . 0.601 ' HA ' ' O ' ' A' ' 26' ' ' VAL . . . -150.6 138.29 19.82 Favored 'General case' 0 C--N 1.302 -1.494 0 CA-C-N 114.43 -1.259 . . . . 0.0 109.253 175.961 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 83' ' ' GLU . . . . . 0.443 ' HG2' ' CE2' ' A' ' 28' ' ' TYR . 11.9 pt-20 -139.47 145.77 45.34 Favored Pre-proline 0 C--N 1.315 -0.896 0 N-CA-C 106.603 -1.628 . . . . 0.0 106.603 175.181 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 84' ' ' PRO . . . . . 0.709 ' HA ' ' O ' ' A' ' 24' ' ' SER . 98.4 Cg_endo -70.69 122.33 8.77 Favored 'Trans proline' 0 N--CA 1.453 -0.883 0 C-N-CA 121.77 1.646 . . . . 0.0 110.711 176.383 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 85' ' ' TYR . . . . . 0.676 ' CD2' ' HB2' ' A' ' 24' ' ' SER . 0.5 OUTLIER . . . . . 0 C--O 1.243 0.715 0 C-N-CA 125.722 1.609 . . . . 0.0 114.98 -170.425 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 18.2 m . . . . . 0 C--O 1.235 0.342 0 N-CA-C 107.837 -1.172 . . . . 0.0 107.837 . . . . . . . . . 0 0 . 1 . 018 nuclear nobuild full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . -118.51 114.98 2.99 Favored Glycine 0 N--CA 1.432 -1.619 0 C-N-CA 119.268 -1.444 . . . . 0.0 114.765 -174.048 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 78.8 mtm180 -148.67 143.04 26.24 Favored 'General case' 0 C--N 1.314 -0.947 0 N-CA-C 106.033 -1.84 . . . . 0.0 106.033 171.774 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 42.7 mt-10 -83.89 97.73 9.37 Favored 'General case' 0 C--N 1.31 -1.127 0 CA-C-O 122.488 1.137 . . . . 0.0 112.58 -175.603 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 11' ' ' ASN . . . . . . . . . . . . . 42.1 m-80 -112.81 155.68 24.21 Favored 'General case' 0 C--N 1.301 -1.505 0 N-CA-C 105.076 -2.194 . . . . 0.0 105.076 177.603 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 37.5 mt -57.98 141.07 50.84 Favored 'General case' 0 CA--C 1.492 -1.253 0 CA-C-O 121.652 0.739 . . . . 0.0 110.838 177.299 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 13' ' ' TYR . . . . . . . . . . . . . 24.5 t80 -72.41 151.36 42.67 Favored 'General case' 0 C--N 1.297 -1.715 0 CA-C-N 114.097 -1.41 . . . . 0.0 107.434 -177.089 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 14' ' ' PHE . . . . . . . . . . . . . 70.7 m-85 -66.62 124.86 24.02 Favored 'General case' 0 C--N 1.295 -1.769 0 CA-C-N 115.604 -0.725 . . . . 0.0 109.601 -176.192 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 74.0 mt-30 -48.38 112.34 0.58 Allowed 'General case' 0 C--N 1.32 -0.691 0 CA-C-N 113.593 -1.64 . . . . 0.0 115.162 -171.067 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . -108.64 -178.12 21.74 Favored Glycine 0 N--CA 1.436 -1.303 0 N-CA-C 107.036 -2.426 . . . . 0.0 107.036 175.3 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 17' ' ' HIS . . . . . . . . . . . . . 68.6 m80 -67.39 118.31 10.56 Favored 'General case' 0 C--N 1.311 -1.07 0 CA-C-N 118.148 0.974 . . . . 0.0 110.022 178.08 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 18' ' ' MET . . . . . . . . . . . . . 23.3 mmt -75.39 166.56 23.41 Favored 'General case' 0 C--N 1.316 -0.886 0 CA-C-N 114.844 -1.071 . . . . 0.0 112.526 -176.344 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -70.99 104.8 3.09 Favored 'General case' 0 C--N 1.317 -0.806 0 CA-C-N 114.54 -1.209 . . . . 0.0 109.004 179.185 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -99.67 153.42 37.78 Favored Pre-proline 0 C--N 1.309 -1.182 0 CA-C-N 115.489 -0.778 . . . . 0.0 111.472 -175.123 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 21' ' ' PRO . . . . . 0.433 ' HA ' ' NE2' ' A' ' 64' ' ' GLN . 32.3 Cg_endo -65.31 110.26 1.53 Allowed 'Trans proline' 0 C--O 1.238 0.478 0 C-N-CA 122.496 2.131 . . . . 0.0 108.892 174.031 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -143.03 6.84 1.58 Allowed 'General case' 0 CA--C 1.502 -0.889 0 N-CA-C 112.999 0.741 . . . . 0.0 112.999 -175.65 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 23' ' ' ARG . . . . . 0.633 ' C ' HG12 ' A' ' 44' ' ' ILE . 56.0 mtt180 44.03 41.87 4.37 Favored 'General case' 0 C--N 1.301 -1.512 0 CA-C-N 113.9 -1.5 . . . . 0.0 112.683 -177.574 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 24' ' ' SER . . . . . 0.556 ' O ' ' HA ' ' A' ' 84' ' ' PRO . 14.6 m -153.03 131.85 12.43 Favored 'General case' 0 N--CA 1.443 -0.788 0 N-CA-C 108.151 -1.055 . . . . 0.0 108.151 178.628 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 25' ' ' CYS . . . . . . . . . . . . . 32.8 m -107.67 130.75 54.89 Favored 'General case' 0 CA--C 1.488 -1.422 0 N-CA-C 104.611 -2.366 . . . . 0.0 104.611 173.152 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 26' ' ' VAL . . . . . 0.518 ' O ' ' HA ' ' A' ' 82' ' ' ALA . 3.1 t -107.29 119.61 57.2 Favored 'Isoleucine or valine' 0 C--N 1.284 -2.272 0 N-CA-C 106.242 -1.762 . . . . 0.0 106.242 -175.28 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 27' ' ' TYR . . . . . . . . . . . . . 16.0 m-85 -89.7 131.07 35.86 Favored 'General case' 0 C--N 1.291 -1.963 0 CA-C-N 114.961 -1.018 . . . . 0.0 109.472 -174.358 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 28' ' ' TYR . . . . . 0.657 ' HB3' ' HB3' ' A' ' 36' ' ' ARG . 86.3 m-85 -127.84 168.75 14.74 Favored 'General case' 0 N--CA 1.41 -2.435 0 CA-C-N 113.961 -1.472 . . . . 0.0 110.227 -177.359 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 29' ' ' ASP . . . . . 0.478 ' O ' ' HA ' ' A' ' 36' ' ' ARG . 5.6 t0 -118.26 101.13 7.96 Favored 'General case' 0 C--N 1.298 -1.632 0 N-CA-C 104.855 -2.276 . . . . 0.0 104.855 -179.922 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . -173.47 143.63 7.26 Favored Glycine 0 CA--C 1.489 -1.545 0 C-N-CA 120.578 -0.82 . . . . 0.0 111.873 179.408 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 31' ' ' HIS . . . . . . . . . . . . . 87.6 m-70 -83.79 -40.55 18.61 Favored 'General case' 0 C--N 1.298 -1.631 0 N-CA-C 107.568 -1.271 . . . . 0.0 107.568 176.769 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 9.2 mp -99.53 155.29 36.66 Favored Pre-proline 0 C--N 1.313 -0.992 0 N-CA-C 107.322 -1.362 . . . . 0.0 107.322 179.712 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 33' ' ' PRO . . . . . 0.467 ' HA ' ' NE ' ' A' ' 36' ' ' ARG . 12.0 Cg_endo -59.32 -26.9 83.48 Favored 'Trans proline' 0 C--N 1.347 0.458 0 C-N-CA 122.146 1.897 . . . . 0.0 109.456 173.136 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -71.75 -40.75 69.12 Favored 'General case' 0 N--CA 1.44 -0.968 0 CA-C-N 114.462 -1.245 . . . . 0.0 112.437 179.845 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 32.5 p -90.75 6.25 44.91 Favored 'General case' 0 C--N 1.325 -0.493 0 N-CA-C 115.068 1.506 . . . . 0.0 115.068 -170.059 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 36' ' ' ARG . . . . . 0.657 ' HB3' ' HB3' ' A' ' 28' ' ' TYR . 99.2 mtt180 -65.13 128.11 34.44 Favored 'General case' 0 C--N 1.323 -0.566 0 N-CA-C 113.992 1.108 . . . . 0.0 113.992 -179.883 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 37' ' ' VAL . . . . . 0.468 ' HB ' ' HB3' ' A' ' 29' ' ' ASP . 53.3 t -104.78 133.76 48.06 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.696 0 C-N-CA 125.264 1.425 . . . . 0.0 107.218 176.724 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 2.7 tm? -67.01 111.73 3.98 Favored 'General case' 0 C--N 1.321 -0.67 0 C-N-CA 123.355 0.662 . . . . 0.0 110.943 -176.579 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 87.5 mt -92.16 -61.33 1.64 Allowed 'General case' 0 C--N 1.321 -0.668 0 N-CA-C 112.034 0.383 . . . . 0.0 112.034 176.697 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 40' ' ' MET . . . . . . . . . . . . . 45.3 ttm -163.53 151.45 13.16 Favored 'General case' 0 N--CA 1.444 -0.746 0 CA-C-N 116.431 -0.35 . . . . 0.0 110.721 -175.708 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 41' ' ' TYR . . . . . . . . . . . . . 85.8 m-85 -95.93 122.93 39.27 Favored 'General case' 0 C--N 1.319 -0.75 0 N-CA-C 107.339 -1.356 . . . . 0.0 107.339 174.313 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 27.6 t -118.27 115.28 47.76 Favored 'Isoleucine or valine' 0 C--N 1.313 -1.017 0 N-CA-C 109.551 -0.537 . . . . 0.0 109.551 179.588 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 43' ' ' ARG . . . . . 0.421 ' O ' ' HB3' ' A' ' 46' ' ' ASN . 19.2 mmt180 -59.23 141.75 53.52 Favored 'General case' 0 C--N 1.315 -0.907 0 CA-C-O 121.479 0.657 . . . . 0.0 111.539 176.316 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 44' ' ' ILE . . . . . 0.633 HG12 ' C ' ' A' ' 23' ' ' ARG . 47.5 mm -67.45 125.23 24.53 Favored 'Isoleucine or valine' 0 C--N 1.3 -1.554 0 CA-C-N 114.603 -1.18 . . . . 0.0 108.18 177.297 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . 104.59 -14.76 50.08 Favored Glycine 0 C--N 1.297 -1.634 0 N-CA-C 109.882 -1.287 . . . . 0.0 109.882 -178.416 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 46' ' ' ASN . . . . . 0.421 ' HB3' ' O ' ' A' ' 43' ' ' ARG . 32.7 t30 -103.47 159.41 15.61 Favored 'General case' 0 C--N 1.301 -1.505 0 CA-C-O 121.813 0.816 . . . . 0.0 110.516 -176.696 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 22.1 p -115.05 151.19 34.67 Favored 'General case' 0 C--N 1.289 -2.036 0 CA-C-N 114.471 -1.24 . . . . 0.0 109.242 179.344 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 48' ' ' ALA . . . . . 0.428 ' O ' ' HA ' ' A' ' 58' ' ' GLU . . . -152.12 146.28 25.39 Favored 'General case' 0 C--N 1.298 -1.674 0 C-N-CA 120.583 -0.447 . . . . 0.0 111.39 -177.905 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 49' ' ' THR . . . . . 0.455 ' HA ' ' HA ' ' A' ' 58' ' ' GLU . 19.5 m -103.6 112.56 25.55 Favored 'General case' 0 C--N 1.313 -1.003 0 N-CA-C 108.024 -1.102 . . . . 0.0 108.024 177.069 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 50' ' ' ILE . . . . . . . . . . . . . 11.4 mm -97.14 110.79 25.72 Favored 'Isoleucine or valine' 0 C--N 1.307 -1.279 0 N-CA-C 108.999 -0.741 . . . . 0.0 108.999 -176.276 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 51' ' ' THR . . . . . 0.49 ' HA ' ' O ' ' A' ' 55' ' ' HIS . 11.5 m -87.2 123.07 31.82 Favored 'General case' 0 C--N 1.299 -1.602 0 C-N-CA 116.765 -1.974 . . . . 0.0 105.828 170.684 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -150.58 127.1 10.8 Favored 'General case' 0 N--CA 1.437 -1.111 0 N-CA-C 108.038 -1.097 . . . . 0.0 108.038 -179.294 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 53' ' ' ARG . . . . . . . . . . . . . 77.3 mtt180 62.72 23.05 13.74 Favored 'General case' 0 N--CA 1.468 0.475 0 C-N-CA 124.989 1.316 . . . . 0.0 111.365 179.08 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . 93.59 -7.71 74.51 Favored Glycine 0 C--N 1.316 -0.565 0 CA-C-N 114.921 -1.036 . . . . 0.0 112.919 -179.984 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 55' ' ' HIS . . . . . 0.49 ' O ' ' HA ' ' A' ' 51' ' ' THR . 78.1 m-70 -101.76 148.61 25.07 Favored 'General case' 0 C--N 1.315 -0.924 0 N-CA-C 109.338 -0.616 . . . . 0.0 109.338 -177.862 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 9.9 mt-10 -109.87 116.87 32.43 Favored 'General case' 0 C--N 1.303 -1.451 0 CA-C-O 121.314 0.578 . . . . 0.0 109.807 174.695 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 57' ' ' PHE . . . . . . . . . . . . . 89.5 m-85 -107.87 108.22 19.29 Favored 'General case' 0 C--N 1.302 -1.461 0 N-CA-C 108.323 -0.991 . . . . 0.0 108.323 -178.568 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 58' ' ' GLU . . . . . 0.455 ' HA ' ' HA ' ' A' ' 49' ' ' THR . 38.1 tt0 -88.45 112.83 23.4 Favored 'General case' 0 N--CA 1.428 -1.568 0 N-CA-C 105.219 -2.141 . . . . 0.0 105.219 176.317 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 59' ' ' VAL . . . . . 0.572 ' HA ' ' HA ' ' A' ' 70' ' ' LEU . 8.8 m -101.72 163.03 3.39 Favored 'Isoleucine or valine' 0 C--N 1.295 -1.785 0 CA-C-N 116.039 -0.528 . . . . 0.0 109.879 -176.27 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 60' ' ' GLU . . . . . 0.422 ' HG2' ' HG2' ' A' ' 62' ' ' LYS . 43.8 tt0 -122.81 103.69 8.8 Favored 'General case' 0 N--CA 1.421 -1.905 0 N-CA-C 105.169 -2.16 . . . . 0.0 105.169 176.433 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -77.65 88.96 3.93 Favored 'General case' 0 C--N 1.317 -0.838 0 N-CA-C 108.28 -1.007 . . . . 0.0 108.28 179.072 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 62' ' ' LYS . . . . . 0.422 ' HG2' ' HG2' ' A' ' 60' ' ' GLU . 33.9 mtpt -76.6 -52.28 10.01 Favored 'General case' 0 C--N 1.309 -1.156 0 CA-C-N 114.037 -1.438 . . . . 0.0 111.827 -175.485 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 17.9 t70 -142.43 153.29 43.59 Favored 'General case' 0 C--N 1.302 -1.493 0 CA-C-N 114.646 -1.161 . . . . 0.0 108.335 -171.729 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 64' ' ' GLN . . . . . 0.433 ' NE2' ' HA ' ' A' ' 21' ' ' PRO 0.305 9.7 pt20 -89.45 29.4 1.12 Allowed 'General case' 0 C--O 1.241 0.644 0 N-CA-C 115.089 1.514 . . . . 0.0 115.089 -175.269 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 65' ' ' ASN . . . . . . . . . . . . . 25.3 m-80 -81.09 -14.21 57.99 Favored 'General case' 0 C--N 1.316 -0.88 0 N-CA-C 106.299 -1.741 . . . . 0.0 106.299 164.963 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 66' ' ' CYS . . . . . 0.43 ' O ' ' HB3' ' A' ' 82' ' ' ALA . 85.5 m 66.74 34.58 5.58 Favored 'General case' 0 CA--C 1.503 -0.836 0 CA-C-N 113.045 -1.889 . . . . 0.0 114.746 169.783 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 67' ' ' LYS . . . . . 0.605 ' HA ' ' HE3' ' A' ' 67' ' ' LYS . 0.1 OUTLIER -67.52 130.27 42.52 Favored 'General case' 0 N--CA 1.411 -2.388 0 N-CA-C 106.007 -1.849 . . . . 0.0 106.007 170.716 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 68' ' ' VAL . . . . . . . . . . . . . 4.9 p -82.96 99.76 6.01 Favored 'Isoleucine or valine' 0 C--N 1.298 -1.662 0 CA-C-O 122.757 1.265 . . . . 0.0 110.465 -179.308 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 69' ' ' ILE . . . . . . . . . . . . . 71.1 mt -116.66 122.22 69.41 Favored 'Isoleucine or valine' 0 C--N 1.302 -1.46 0 N-CA-C 104.622 -2.362 . . . . 0.0 104.622 -178.282 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 70' ' ' LEU . . . . . 0.572 ' HA ' ' HA ' ' A' ' 59' ' ' VAL . 1.6 mm? -83.53 166.22 18.44 Favored 'General case' 0 N--CA 1.412 -2.373 0 C-N-CA 119.018 -1.073 . . . . 0.0 109.688 -177.952 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 71' ' ' THR . . . . . . . . . . . . . 41.7 p -63.0 -21.5 66.19 Favored 'General case' 0 C--N 1.293 -1.875 0 CA-C-N 115.117 -0.947 . . . . 0.0 111.809 175.387 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 72' ' ' ASN . . . . . . . . . . . . . 3.1 p-10 -78.15 0.03 26.47 Favored 'General case' 0 C--N 1.323 -0.576 0 CA-C-O 121.185 0.517 . . . . 0.0 111.133 174.365 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 73' ' ' GLY . . . . . . . . . . . . . . . 93.94 -26.49 16.47 Favored Glycine 0 CA--C 1.488 -1.652 0 CA-C-N 116.336 -0.393 . . . . 0.0 112.366 170.439 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 48.5 mtmt -81.79 167.44 19.06 Favored 'General case' 0 N--CA 1.419 -1.987 0 N-CA-C 113.865 1.061 . . . . 0.0 113.865 -176.33 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 75' ' ' GLN . . . . . . . . . . . . . 6.7 tt0 -77.8 150.91 34.21 Favored 'General case' 0 C--N 1.307 -1.275 0 CA-C-N 112.889 -1.96 . . . . 0.0 107.765 175.916 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 76' ' ' ALA . . . . . 0.495 ' CB ' HD23 ' A' ' 80' ' ' LEU . . . -96.42 164.79 17.53 Favored Pre-proline 0 C--N 1.293 -1.867 0 CA-C-N 115.689 -0.687 . . . . 0.0 110.412 178.285 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 77' ' ' PRO . . . . . 0.486 ' HD2' ' HB1' ' A' ' 76' ' ' ALA . 7.2 Cg_endo -49.64 156.62 2.89 Favored 'Trans proline' 0 C--N 1.363 1.342 0 C-N-CA 124.05 3.167 . . . . 0.0 115.516 -179.811 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 78' ' ' ASP . . . . . . . . . . . . . 24.9 t70 -51.84 -34.54 41.03 Favored 'General case' 0 N--CA 1.47 0.566 0 C-N-CA 126.166 1.786 . . . . 0.0 112.739 -178.837 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 79' ' ' TRP . . . . . 0.447 ' CD1' ' HB2' ' A' ' 77' ' ' PRO . 68.2 p-90 -81.36 -16.01 53.57 Favored 'General case' 0 C--N 1.317 -0.81 0 N-CA-C 112.619 0.6 . . . . 0.0 112.619 -177.992 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 80' ' ' LEU . . . . . 0.495 HD23 ' CB ' ' A' ' 76' ' ' ALA . 19.7 tp -86.38 119.19 26.39 Favored 'General case' 0 N--CA 1.43 -1.433 0 N-CA-C 107.555 -1.276 . . . . 0.0 107.555 -176.642 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -125.08 167.52 14.66 Favored 'General case' 0 CA--C 1.491 -1.321 0 CA-C-O 121.363 0.601 . . . . 0.0 110.429 -176.688 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 82' ' ' ALA . . . . . 0.518 ' HA ' ' O ' ' A' ' 26' ' ' VAL . . . -153.67 140.37 18.97 Favored 'General case' 0 C--N 1.296 -1.73 0 CA-C-N 114.517 -1.22 . . . . 0.0 108.752 175.613 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 9.9 pt-20 -143.94 143.35 22.62 Favored Pre-proline 0 C--N 1.304 -1.387 0 N-CA-C 105.446 -2.057 . . . . 0.0 105.446 175.572 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 84' ' ' PRO . . . . . 0.556 ' HA ' ' O ' ' A' ' 24' ' ' SER . 45.1 Cg_endo -72.08 140.38 34.38 Favored 'Trans proline' 0 N--CA 1.447 -1.254 0 C-N-CA 121.461 1.441 . . . . 0.0 111.575 -179.168 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 85' ' ' TYR . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.321 -0.66 0 CA-C-N 114.488 -1.233 . . . . 0.0 113.995 -171.199 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 18.1 m . . . . . 0 C--O 1.237 0.433 0 N-CA-C 108.882 -0.785 . . . . 0.0 108.882 . . . . . . . . . 0 0 . 1 . 019 nuclear nobuild full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . -150.49 -179.54 26.35 Favored Glycine 0 N--CA 1.424 -2.104 0 C-N-CA 120.199 -1.0 . . . . 0.0 112.651 -179.21 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 58.1 mtt180 -142.05 127.59 19.0 Favored 'General case' 0 C--N 1.307 -1.248 0 N-CA-C 106.785 -1.561 . . . . 0.0 106.785 174.918 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 1.1 mp0 -78.15 115.26 17.75 Favored 'General case' 0 C--N 1.303 -1.427 0 N-CA-C 107.255 -1.387 . . . . 0.0 107.255 178.505 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 11' ' ' ASN . . . . . . . . . . . . . 7.1 t30 -81.69 95.13 7.13 Favored 'General case' 0 C--N 1.309 -1.165 0 N-CA-C 104.537 -2.394 . . . . 0.0 104.537 175.801 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 96.2 mt -61.93 164.73 6.16 Favored 'General case' 0 CA--C 1.498 -1.037 0 CA-C-O 122.674 1.226 . . . . 0.0 113.645 -174.926 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 13' ' ' TYR . . . . . . . . . . . . . 19.2 p90 -81.95 113.65 20.0 Favored 'General case' 0 C--N 1.294 -1.845 0 CA-C-N 113.415 -1.72 . . . . 0.0 108.134 178.284 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 14' ' ' PHE . . . . . . . . . . . . . 96.4 m-85 -97.59 109.63 22.34 Favored 'General case' 0 N--CA 1.424 -1.744 0 N-CA-C 106.724 -1.584 . . . . 0.0 106.724 178.561 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 62.1 tt0 -68.57 150.0 48.54 Favored 'General case' 0 N--CA 1.424 -1.731 0 CA-C-N 114.459 -1.246 . . . . 0.0 108.99 -178.025 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . -82.5 88.33 1.46 Allowed Glycine 0 N--CA 1.424 -2.133 0 N-CA-C 107.619 -2.193 . . . . 0.0 107.619 175.213 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 17' ' ' HIS . . . . . . . . . . . . . 55.1 t-80 -88.47 157.69 18.58 Favored 'General case' 0 C--N 1.303 -1.415 0 N-CA-C 106.237 -1.764 . . . . 0.0 106.237 -179.677 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 18' ' ' MET . . . . . . . . . . . . . 26.2 ptm -52.36 133.6 34.66 Favored 'General case' 0 C--O 1.243 0.743 0 O-C-N 123.75 0.656 . . . . 0.0 109.937 177.882 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -63.64 106.99 1.06 Allowed 'General case' 0 C--N 1.32 -0.712 0 O-C-N 123.808 0.692 . . . . 0.0 110.601 -179.595 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -110.34 155.24 42.29 Favored Pre-proline 0 C--N 1.305 -1.343 0 N-CA-C 107.967 -1.123 . . . . 0.0 107.967 179.866 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 21' ' ' PRO . . . . . . . . . . . . . 83.6 Cg_exo -52.86 107.32 0.19 Allowed 'Trans proline' 0 C--N 1.351 0.705 0 C-N-CA 122.969 2.446 . . . . 0.0 110.61 176.241 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -124.93 24.63 7.55 Favored 'General case' 0 C--N 1.32 -0.701 0 N-CA-C 114.871 1.434 . . . . 0.0 114.871 -172.615 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 23' ' ' ARG . . . . . 0.656 ' C ' HG12 ' A' ' 44' ' ' ILE . 35.5 ttm180 58.96 19.41 7.13 Favored 'General case' 0 CA--C 1.561 1.393 0 N-CA-C 114.529 1.307 . . . . 0.0 114.529 174.391 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 24' ' ' SER . . . . . 0.594 ' O ' ' HA ' ' A' ' 84' ' ' PRO . 57.9 m -155.76 141.03 17.57 Favored 'General case' 0 C--N 1.318 -0.789 0 O-C-N 120.771 -1.206 . . . . 0.0 110.061 175.818 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 25' ' ' CYS . . . . . . . . . . . . . 94.4 m -108.06 131.52 54.51 Favored 'General case' 0 CA--C 1.498 -1.022 0 N-CA-C 106.398 -1.704 . . . . 0.0 106.398 177.414 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 26' ' ' VAL . . . . . 0.561 ' O ' ' HA ' ' A' ' 82' ' ' ALA . 2.8 t -110.65 125.02 67.93 Favored 'Isoleucine or valine' 0 C--N 1.289 -2.025 0 N-CA-C 106.994 -1.484 . . . . 0.0 106.994 -175.605 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 27' ' ' TYR . . . . . 0.444 ' HA ' ' O ' ' A' ' 81' ' ' ALA . 43.0 m-85 -97.46 133.55 41.89 Favored 'General case' 0 C--N 1.3 -1.551 0 O-C-N 124.29 0.994 . . . . 0.0 110.582 -174.65 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 28' ' ' TYR . . . . . 0.458 ' HA ' ' O ' ' A' ' 37' ' ' VAL . 90.3 m-85 -127.78 144.24 51.09 Favored 'General case' 0 N--CA 1.427 -1.611 0 CA-C-N 114.641 -1.163 . . . . 0.0 110.014 -176.741 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 5.2 t70 -98.47 101.64 13.14 Favored 'General case' 0 C--N 1.3 -1.547 0 N-CA-C 106.033 -1.84 . . . . 0.0 106.033 172.771 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . -172.53 141.64 6.36 Favored Glycine 0 N--CA 1.435 -1.396 0 C-N-CA 120.882 -0.675 . . . . 0.0 112.792 177.47 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 31' ' ' HIS . . . . . 0.462 ' CE1' ' HB3' ' A' ' 79' ' ' TRP . 94.9 m-70 -85.94 -20.36 29.09 Favored 'General case' 0 C--N 1.302 -1.496 0 N-CA-C 107.945 -1.131 . . . . 0.0 107.945 174.931 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 44.9 mt -123.86 160.42 51.68 Favored Pre-proline 0 N--CA 1.438 -1.066 0 N-CA-C 107.272 -1.381 . . . . 0.0 107.272 -178.0 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 33' ' ' PRO . . . . . . . . . . . . . 56.9 Cg_endo -73.4 -4.35 15.27 Favored 'Trans proline' 0 CA--C 1.538 0.69 0 C-N-CA 121.965 1.777 . . . . 0.0 110.503 172.391 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -91.78 -52.1 4.91 Favored 'General case' 0 N--CA 1.45 -0.464 0 CA-C-O 121.399 0.619 . . . . 0.0 110.299 -179.269 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 19.4 p -90.05 23.32 2.86 Favored 'General case' 0 C--N 1.317 -0.825 0 CA-C-N 115.815 -0.63 . . . . 0.0 111.585 -175.064 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 36' ' ' ARG . . . . . 0.431 ' HB2' ' HB3' ' A' ' 28' ' ' TYR . 26.9 ptt180 -79.71 142.88 35.06 Favored 'General case' 0 N--CA 1.438 -1.07 0 CA-C-N 115.618 -0.719 . . . . 0.0 109.196 -179.307 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 37' ' ' VAL . . . . . 0.458 ' O ' ' HA ' ' A' ' 28' ' ' TYR . 75.7 t -122.6 119.8 59.13 Favored 'Isoleucine or valine' 0 C--N 1.305 -1.338 0 N-CA-C 106.377 -1.712 . . . . 0.0 106.377 -178.707 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 8.6 tt -69.19 118.51 12.18 Favored 'General case' 0 C--N 1.321 -0.664 0 CA-C-O 121.705 0.765 . . . . 0.0 109.308 178.934 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 82.0 mt -91.14 -57.88 2.65 Favored 'General case' 0 C--N 1.301 -1.52 0 CA-C-N 114.307 -1.315 . . . . 0.0 110.915 -179.905 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 40' ' ' MET . . . . . . . . . . . . . 44.1 ttm -162.32 156.61 21.65 Favored 'General case' 0 N--CA 1.436 -1.147 0 CA-C-N 115.747 -0.66 . . . . 0.0 111.552 -166.678 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 41' ' ' TYR . . . . . . . . . . . . . 58.6 m-85 -107.02 120.09 41.15 Favored 'General case' 0 C--N 1.321 -0.639 0 N-CA-C 107.434 -1.321 . . . . 0.0 107.434 174.185 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 21.7 t -114.94 113.65 44.23 Favored 'Isoleucine or valine' 0 C--N 1.3 -1.577 0 N-CA-C 107.527 -1.286 . . . . 0.0 107.527 177.04 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 16.9 ttt180 -60.08 141.98 54.85 Favored 'General case' 0 C--N 1.311 -1.103 0 C-N-CA 123.313 0.645 . . . . 0.0 109.365 179.757 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 44' ' ' ILE . . . . . 0.656 HG12 ' C ' ' A' ' 23' ' ' ARG . 40.1 mm -62.33 122.6 13.42 Favored 'Isoleucine or valine' 0 C--N 1.312 -1.036 0 N-CA-C 106.948 -1.501 . . . . 0.0 106.948 175.467 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . 95.04 34.59 6.11 Favored Glycine 0 C--N 1.284 -2.33 0 N-CA-C 109.002 -1.639 . . . . 0.0 109.002 -178.152 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 46' ' ' ASN . . . . . . . . . . . . . 53.2 t30 -149.49 160.78 43.18 Favored 'General case' 0 C--N 1.313 -1.015 0 N-CA-C 108.793 -0.817 . . . . 0.0 108.793 173.61 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 47' ' ' THR . . . . . 0.471 HG22 ' HA ' ' A' ' 60' ' ' GLU . 7.7 p -121.07 153.28 37.63 Favored 'General case' 0 C--N 1.288 -2.099 0 CA-C-N 114.775 -1.102 . . . . 0.0 108.623 177.943 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 48' ' ' ALA . . . . . 0.416 ' O ' ' HA ' ' A' ' 58' ' ' GLU . . . -150.69 143.03 24.29 Favored 'General case' 0 C--N 1.297 -1.675 0 C-N-CA 120.129 -0.629 . . . . 0.0 112.391 -178.303 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 3.0 m -89.61 106.63 18.58 Favored 'General case' 0 C--N 1.318 -0.77 0 N-CA-C 107.195 -1.409 . . . . 0.0 107.195 177.803 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 50' ' ' ILE . . . . . . . . . . . . . 15.9 mm -96.49 111.73 27.2 Favored 'Isoleucine or valine' 0 C--N 1.31 -1.149 0 N-CA-C 108.557 -0.905 . . . . 0.0 108.557 -176.679 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 8.4 m -92.02 124.58 36.23 Favored 'General case' 0 C--N 1.293 -1.886 0 N-CA-C 106.701 -1.592 . . . . 0.0 106.701 174.226 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -149.93 124.2 9.53 Favored 'General case' 0 C--N 1.311 -1.096 0 N-CA-C 108.69 -0.856 . . . . 0.0 108.69 179.692 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 53' ' ' ARG . . . . . 0.423 ' HD2' ' CZ2' ' A' ' 79' ' ' TRP . 75.7 mtt180 62.75 27.16 15.97 Favored 'General case' 0 C--O 1.239 0.531 0 C-N-CA 124.414 1.086 . . . . 0.0 111.363 177.718 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . 88.01 5.66 76.7 Favored Glycine 0 N--CA 1.446 -0.65 0 CA-C-N 114.627 -1.17 . . . . 0.0 113.196 178.98 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 55' ' ' HIS . . . . . . . . . . . . . 21.1 m-70 -116.1 133.27 56.2 Favored 'General case' 0 C--N 1.315 -0.905 0 CA-C-N 117.2 0.5 . . . . 0.0 109.762 -179.936 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 25.3 mp0 -94.17 126.13 39.22 Favored 'General case' 0 N--CA 1.435 -1.194 0 N-CA-C 107.98 -1.119 . . . . 0.0 107.98 174.098 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 57' ' ' PHE . . . . . . . . . . . . . 72.3 m-85 -118.3 108.92 15.7 Favored 'General case' 0 N--CA 1.422 -1.868 0 N-CA-C 105.521 -2.029 . . . . 0.0 105.521 177.838 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 58' ' ' GLU . . . . . 0.416 ' HA ' ' O ' ' A' ' 48' ' ' ALA . 23.7 tt0 -87.05 112.64 22.07 Favored 'General case' 0 C--N 1.3 -1.553 0 C-N-CA 117.239 -1.784 . . . . 0.0 107.745 176.874 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 59' ' ' VAL . . . . . 0.582 HG12 ' CD1' ' A' ' 70' ' ' LEU . 6.0 m -98.06 161.72 2.88 Favored 'Isoleucine or valine' 0 C--N 1.311 -1.1 0 CA-C-N 115.196 -0.911 . . . . 0.0 109.974 -173.632 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 60' ' ' GLU . . . . . 0.562 ' HB2' ' HB ' ' A' ' 71' ' ' THR . 33.4 tt0 -119.87 110.02 16.24 Favored 'General case' 0 N--CA 1.427 -1.602 0 N-CA-C 106.79 -1.559 . . . . 0.0 106.79 174.469 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -78.76 88.13 4.63 Favored 'General case' 0 C--N 1.314 -0.959 0 N-CA-C 106.539 -1.652 . . . . 0.0 106.539 174.208 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 62' ' ' LYS . . . . . 0.402 ' HE2' ' OD2' ' A' ' 63' ' ' ASP . 19.9 ptmt -75.26 -48.37 23.63 Favored 'General case' 0 C--N 1.312 -1.025 0 CA-C-N 112.982 -1.917 . . . . 0.0 113.969 -175.5 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 63' ' ' ASP . . . . . 0.402 ' OD2' ' HE2' ' A' ' 62' ' ' LYS . 4.0 p30 -150.62 168.57 23.91 Favored 'General case' 0 CA--C 1.498 -1.036 0 N-CA-C 108.314 -0.995 . . . . 0.0 108.314 -178.173 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 64' ' ' GLN . . . . . . . . . . . . . 13.2 pt20 -90.12 18.79 5.52 Favored 'General case' 0 C--N 1.311 -1.098 0 N-CA-C 115.325 1.602 . . . . 0.0 115.325 -172.314 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 65' ' ' ASN . . . . . . . . . . . . . 28.1 t-20 -85.16 -26.82 26.59 Favored 'General case' 0 C--N 1.322 -0.618 0 N-CA-C 105.441 -2.059 . . . . 0.0 105.441 167.936 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 66' ' ' CYS . . . . . . . . . . . . . 72.3 m 68.95 54.32 0.46 Allowed 'General case' 0 C--N 1.325 -0.457 0 N-CA-C 119.374 3.102 . . . . 0.0 119.374 169.783 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 5.8 mptp? -76.87 150.87 36.01 Favored 'General case' 0 N--CA 1.437 -1.078 0 C-N-CA 118.817 -1.153 . . . . 0.0 110.392 165.26 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 68' ' ' VAL . . . . . 0.516 HG11 ' O ' ' A' ' 80' ' ' LEU . 6.9 p -88.77 99.88 9.8 Favored 'Isoleucine or valine' 0 C--N 1.293 -1.876 0 CA-C-O 122.834 1.302 . . . . 0.0 109.012 177.728 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 69' ' ' ILE . . . . . . . . . . . . . 89.9 mt -125.99 128.88 72.25 Favored 'Isoleucine or valine' 0 C--N 1.297 -1.697 0 N-CA-C 104.852 -2.277 . . . . 0.0 104.852 -179.015 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 70' ' ' LEU . . . . . 0.655 HD21 ' HB2' ' A' ' 76' ' ' ALA . 1.7 mm? -86.95 146.53 26.12 Favored 'General case' 0 N--CA 1.41 -2.427 0 C-N-CA 118.568 -1.253 . . . . 0.0 110.504 -174.72 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 71' ' ' THR . . . . . 0.562 ' HB ' ' HB2' ' A' ' 60' ' ' GLU . 3.8 t -77.81 4.12 12.59 Favored 'General case' 0 C--N 1.29 -2.018 0 CA-C-N 113.614 -1.63 . . . . 0.0 110.331 -175.498 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 72' ' ' ASN . . . . . . . . . . . . . 44.5 m-80 -96.21 -2.46 46.13 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-N 115.398 -0.819 . . . . 0.0 109.061 175.605 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 73' ' ' GLY . . . . . . . . . . . . . . . 89.1 27.41 23.47 Favored Glycine 0 CA--C 1.504 -0.65 0 N-CA-C 109.632 -1.387 . . . . 0.0 109.632 178.467 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 74' ' ' LYS . . . . . 0.464 ' HB2' ' HB2' ' A' ' 70' ' ' LEU . 69.3 mmtt -114.89 158.25 22.22 Favored 'General case' 0 N--CA 1.434 -1.232 0 CA-C-N 114.47 -0.865 . . . . 0.0 110.877 -176.024 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 75' ' ' GLN . . . . . . . . . . . . . 76.4 mt-30 -107.15 141.14 38.89 Favored 'General case' 0 C--N 1.309 -1.165 0 N-CA-C 106.152 -1.795 . . . . 0.0 106.152 173.088 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 76' ' ' ALA . . . . . 0.655 ' HB2' HD21 ' A' ' 70' ' ' LEU . . . -91.76 161.92 32.55 Favored Pre-proline 0 C--N 1.299 -1.604 0 C-N-CA 120.757 -0.377 . . . . 0.0 111.808 -174.121 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 77' ' ' PRO . . . . . . . . . . . . . 72.5 Cg_exo -56.45 152.75 38.22 Favored 'Trans proline' 0 C--N 1.352 0.755 0 C-N-CA 123.211 2.608 . . . . 0.0 110.812 173.771 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 78' ' ' ASP . . . . . . . . . . . . . 4.1 p-10 -60.2 -28.87 68.33 Favored 'General case' 0 N--CA 1.473 0.723 0 C-N-CA 122.522 0.329 . . . . 0.0 111.86 -176.24 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 79' ' ' TRP . . . . . 0.462 ' HB3' ' CE1' ' A' ' 31' ' ' HIS . 64.2 p-90 -72.69 -15.65 61.69 Favored 'General case' 0 C--O 1.219 -0.532 0 N-CA-C 112.192 0.441 . . . . 0.0 112.192 179.961 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 80' ' ' LEU . . . . . 0.516 ' O ' HG11 ' A' ' 68' ' ' VAL . 24.3 tp -89.84 103.64 16.27 Favored 'General case' 0 N--CA 1.425 -1.712 0 N-CA-C 105.408 -2.071 . . . . 0.0 105.408 179.122 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 81' ' ' ALA . . . . . 0.444 ' O ' ' HA ' ' A' ' 27' ' ' TYR . . . -106.19 162.48 13.61 Favored 'General case' 0 C--N 1.298 -1.653 0 CA-C-O 121.406 0.622 . . . . 0.0 110.765 -176.021 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 82' ' ' ALA . . . . . 0.561 ' HA ' ' O ' ' A' ' 26' ' ' VAL . . . -149.28 135.23 18.91 Favored 'General case' 0 C--N 1.299 -1.619 0 CA-C-N 114.236 -1.347 . . . . 0.0 108.164 177.246 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 9.9 pt-20 -145.97 146.59 29.1 Favored Pre-proline 0 C--N 1.312 -1.04 0 N-CA-C 107.169 -1.419 . . . . 0.0 107.169 175.578 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 84' ' ' PRO . . . . . 0.594 ' HA ' ' O ' ' A' ' 24' ' ' SER . 56.6 Cg_endo -71.47 130.02 16.65 Favored 'Trans proline' 0 N--CA 1.453 -0.875 0 C-N-CA 121.59 1.527 . . . . 0.0 110.287 179.32 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 85' ' ' TYR . . . . . 0.476 ' CD2' ' HB2' ' A' ' 24' ' ' SER 0.255 0.4 OUTLIER . . . . . 0 C--O 1.242 0.69 0 N-CA-C 115.541 1.682 . . . . 0.0 115.541 -171.08 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 9.1 m . . . . . 0 CA--C 1.515 -0.395 0 N-CA-C 108.171 -1.048 . . . . 0.0 108.171 . . . . . . . . . 0 0 . 1 . 020 nuclear nobuild full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . -146.22 149.59 21.74 Favored Glycine 0 N--CA 1.42 -2.402 0 C-N-CA 119.389 -1.386 . . . . 0.0 111.556 -178.083 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 13.1 ptt180 -144.82 139.43 27.75 Favored 'General case' 0 C--N 1.292 -1.918 0 N-CA-C 104.841 -2.281 . . . . 0.0 104.841 175.778 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 18.6 tt0 -111.33 88.91 2.91 Favored 'General case' 0 C--N 1.286 -2.156 0 N-CA-C 102.637 -3.097 . . . . 0.0 102.637 175.429 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 11' ' ' ASN . . . . . . . . . . . . . 7.8 t30 -94.59 161.26 14.27 Favored 'General case' 0 C--N 1.307 -1.249 0 CA-C-N 112.79 -2.005 . . . . 0.0 110.792 -166.682 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 12' ' ' LEU . . . . . 0.579 HD23 ' H ' ' A' ' 12' ' ' LEU . 2.1 pt? -114.68 133.29 55.98 Favored 'General case' 0 C--N 1.301 -1.51 0 N-CA-C 105.962 -1.866 . . . . 0.0 105.962 176.847 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 13' ' ' TYR . . . . . . . . . . . . . 99.0 m-85 -57.81 116.04 3.21 Favored 'General case' 0 C--N 1.319 -0.753 0 O-C-N 123.736 0.647 . . . . 0.0 110.057 -177.684 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 14' ' ' PHE . . . . . . . . . . . . . 78.9 m-85 -76.76 142.29 40.45 Favored 'General case' 0 N--CA 1.435 -1.199 0 CA-C-N 115.334 -0.848 . . . . 0.0 110.039 -178.939 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 57.0 tt0 -122.1 161.53 22.92 Favored 'General case' 0 N--CA 1.412 -2.371 0 N-CA-C 105.893 -1.892 . . . . 0.0 105.893 -179.785 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . -76.3 -178.64 45.48 Favored Glycine 0 N--CA 1.434 -1.45 0 N-CA-C 110.476 -1.05 . . . . 0.0 110.476 179.678 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 17' ' ' HIS . . . . . . . . . . . . . 22.9 t-80 -59.87 109.81 1.02 Allowed 'General case' 0 C--N 1.314 -0.977 0 N-CA-C 109.668 -0.493 . . . . 0.0 109.668 179.588 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 18' ' ' MET . . . . . . . . . . . . . 58.7 ttp -63.56 126.79 28.67 Favored 'General case' 0 N--CA 1.442 -0.864 0 N-CA-C 108.829 -0.804 . . . . 0.0 108.829 178.832 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -137.19 -178.85 5.39 Favored 'General case' 0 C--N 1.29 -2.013 0 N-CA-C 106.647 -1.612 . . . . 0.0 106.647 -177.448 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -57.65 142.09 78.29 Favored Pre-proline 0 C--N 1.316 -0.857 0 O-C-N 124.334 1.021 . . . . 0.0 109.61 176.772 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 21' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -73.67 89.09 1.0 Allowed 'Trans proline' 0 N--CA 1.45 -1.07 0 C-N-CA 121.805 1.67 . . . . 0.0 110.773 -178.391 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -91.2 28.53 1.61 Allowed 'General case' 0 C--N 1.305 -1.358 0 N-CA-C 115.238 1.57 . . . . 0.0 115.238 -171.952 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 23' ' ' ARG . . . . . 0.628 ' C ' HG12 ' A' ' 44' ' ' ILE . 53.2 mtt180 60.63 25.16 14.9 Favored 'General case' 0 C--N 1.306 -1.304 0 N-CA-C 115.077 1.51 . . . . 0.0 115.077 175.627 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 24' ' ' SER . . . . . 0.667 ' O ' ' HA ' ' A' ' 84' ' ' PRO . 66.4 m -156.2 138.76 14.99 Favored 'General case' 0 C--N 1.315 -0.902 0 C-N-CA 123.357 0.663 . . . . 0.0 109.314 174.698 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 25' ' ' CYS . . . . . . . . . . . . . 90.2 m -107.92 131.27 54.71 Favored 'General case' 0 N--CA 1.436 -1.132 0 N-CA-C 105.812 -1.921 . . . . 0.0 105.812 178.463 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 26' ' ' VAL . . . . . 0.567 ' O ' ' HA ' ' A' ' 82' ' ' ALA . 2.9 t -112.57 124.39 69.19 Favored 'Isoleucine or valine' 0 C--N 1.281 -2.397 0 N-CA-C 107.073 -1.454 . . . . 0.0 107.073 -173.587 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 27' ' ' TYR . . . . . . . . . . . . . 15.8 m-85 -94.84 129.71 41.72 Favored 'General case' 0 C--N 1.298 -1.667 0 O-C-N 124.201 0.938 . . . . 0.0 111.134 -173.444 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 28' ' ' TYR . . . . . 0.518 ' HA ' ' O ' ' A' ' 37' ' ' VAL . 84.7 m-85 -128.89 147.41 50.82 Favored 'General case' 0 N--CA 1.419 -2.01 0 CA-C-N 114.151 -1.386 . . . . 0.0 110.651 -178.147 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 29' ' ' ASP . . . . . 0.471 ' HB3' ' HB ' ' A' ' 37' ' ' VAL . 4.6 t0 -98.49 102.41 14.14 Favored 'General case' 0 C--N 1.301 -1.514 0 N-CA-C 106.563 -1.644 . . . . 0.0 106.563 175.295 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . -173.24 152.86 16.7 Favored Glycine 0 C--N 1.311 -0.844 0 C-N-CA 120.061 -1.066 . . . . 0.0 113.643 177.817 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 31' ' ' HIS . . . . . . . . . . . . . 84.8 m-70 -98.78 -16.09 19.05 Favored 'General case' 0 C--N 1.313 -0.987 0 CA-C-O 121.034 0.445 . . . . 0.0 109.812 172.927 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 32' ' ' LEU . . . . . 0.422 ' HB2' ' OG1' ' A' ' 35' ' ' THR . 43.4 mt -128.83 161.37 58.07 Favored Pre-proline 0 C--N 1.319 -0.746 0 N-CA-C 107.101 -1.444 . . . . 0.0 107.101 -178.599 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 33' ' ' PRO . . . . . . . . . . . . . 50.0 Cg_endo -68.1 -4.26 12.26 Favored 'Trans proline' 0 CA--C 1.532 0.425 0 C-N-CA 122.432 2.088 . . . . 0.0 111.32 174.378 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -91.35 -34.54 14.85 Favored 'General case' 0 CA--C 1.507 -0.697 0 CA-C-O 122.597 1.189 . . . . 0.0 109.406 -178.79 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 35' ' ' THR . . . . . 0.422 ' OG1' ' HB2' ' A' ' 32' ' ' LEU . 0.2 OUTLIER -89.94 -27.21 19.98 Favored 'General case' 0 N--CA 1.42 -1.959 0 CA-C-N 113.783 -1.553 . . . . 0.0 112.242 -169.881 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 36' ' ' ARG . . . . . 0.469 ' HD2' ' O ' ' A' ' 36' ' ' ARG 0.282 0.0 OUTLIER -42.8 104.77 0.04 OUTLIER 'General case' 0 CA--C 1.538 0.503 0 O-C-N 125.086 1.491 . . . . 0.0 114.177 -173.543 . . . . . . . . 4 4 . 1 . 020 nuclear nobuild full ' A' A ' 37' ' ' VAL . . . . . 0.518 ' O ' ' HA ' ' A' ' 28' ' ' TYR . 61.8 t -94.13 128.68 45.27 Favored 'Isoleucine or valine' 0 CA--C 1.505 -0.773 0 CA-C-N 113.961 -1.472 . . . . 0.0 108.56 -175.925 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 3.3 tm? -64.59 112.59 3.24 Favored 'General case' 0 C--N 1.317 -0.831 0 O-C-N 123.921 0.763 . . . . 0.0 109.787 -179.288 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 94.6 mt -91.08 -60.89 1.79 Allowed 'General case' 0 N--CA 1.437 -1.109 0 N-CA-C 107.97 -1.122 . . . . 0.0 107.97 173.88 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 40' ' ' MET . . . . . . . . . . . . . 22.2 ptp -169.94 164.84 9.65 Favored 'General case' 0 CA--C 1.515 -0.376 0 CA-C-N 115.727 -0.669 . . . . 0.0 112.764 -178.864 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 41' ' ' TYR . . . . . . . . . . . . . 11.7 m-85 -100.22 138.39 37.35 Favored 'General case' 0 C--N 1.31 -1.139 0 CA-C-N 114.083 -1.417 . . . . 0.0 108.708 175.562 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 39.4 t -127.93 136.87 59.14 Favored 'Isoleucine or valine' 0 C--N 1.307 -1.267 0 N-CA-C 105.81 -1.922 . . . . 0.0 105.81 174.919 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 42.4 ttt-85 -81.83 148.59 28.76 Favored 'General case' 0 C--N 1.297 -1.689 0 N-CA-C 108.684 -0.858 . . . . 0.0 108.684 -179.826 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 44' ' ' ILE . . . . . 0.628 HG12 ' C ' ' A' ' 23' ' ' ARG . 45.0 mm -64.01 126.79 23.38 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.67 0 N-CA-C 107.056 -1.461 . . . . 0.0 107.056 174.452 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . 90.27 25.18 26.98 Favored Glycine 0 C--N 1.289 -2.072 0 CA-C-N 114.585 -1.189 . . . . 0.0 110.389 177.421 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 46' ' ' ASN . . . . . . . . . . . . . 51.6 t30 -143.18 158.72 43.37 Favored 'General case' 0 N--CA 1.431 -1.384 0 N-CA-C 109.38 -0.6 . . . . 0.0 109.38 179.57 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 14.7 p -108.87 159.1 17.07 Favored 'General case' 0 C--N 1.289 -2.04 0 CA-C-N 114.765 -1.107 . . . . 0.0 111.1 -179.299 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -158.36 149.57 20.87 Favored 'General case' 0 C--N 1.306 -1.31 0 CA-C-N 115.198 -0.91 . . . . 0.0 110.054 176.652 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 20.0 m -99.78 115.66 30.06 Favored 'General case' 0 C--N 1.306 -1.301 0 N-CA-C 106.588 -1.634 . . . . 0.0 106.588 175.793 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 50' ' ' ILE . . . . . 0.485 ' O ' ' HA ' ' A' ' 56' ' ' GLU . 20.1 mm -95.09 109.87 23.06 Favored 'Isoleucine or valine' 0 C--N 1.308 -1.197 0 N-CA-C 108.261 -1.014 . . . . 0.0 108.261 -174.69 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 51' ' ' THR . . . . . 0.45 ' HA ' ' O ' ' A' ' 55' ' ' HIS . 6.8 m -91.07 124.19 35.11 Favored 'General case' 0 C--N 1.295 -1.799 0 N-CA-C 107.213 -1.402 . . . . 0.0 107.213 174.009 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -151.15 124.11 8.67 Favored 'General case' 0 C--N 1.308 -1.213 0 N-CA-C 108.495 -0.928 . . . . 0.0 108.495 177.35 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 53' ' ' ARG . . . . . . . . . . . . . 78.6 mtt180 62.87 23.33 13.93 Favored 'General case' 0 N--CA 1.476 0.862 0 C-N-CA 124.5 1.12 . . . . 0.0 111.641 177.233 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . 92.56 -3.29 74.87 Favored Glycine 0 C--N 1.31 -0.909 0 CA-C-N 115.413 -0.812 . . . . 0.0 112.784 -178.971 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 55' ' ' HIS . . . . . 0.45 ' O ' ' HA ' ' A' ' 51' ' ' THR . 7.9 m-70 -99.45 139.7 34.72 Favored 'General case' 0 C--N 1.32 -0.713 0 N-CA-C 107.571 -1.27 . . . . 0.0 107.571 -178.877 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 56' ' ' GLU . . . . . 0.485 ' HA ' ' O ' ' A' ' 50' ' ' ILE . 16.2 mt-10 -114.33 126.66 55.26 Favored 'General case' 0 C--N 1.303 -1.435 0 N-CA-C 109.732 -0.47 . . . . 0.0 109.732 173.499 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 57' ' ' PHE . . . . . . . . . . . . . 50.7 m-85 -115.23 115.27 26.41 Favored 'General case' 0 C--N 1.306 -1.302 0 N-CA-C 108.264 -1.013 . . . . 0.0 108.264 -178.896 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 40.9 tt0 -87.59 110.7 20.57 Favored 'General case' 0 C--N 1.306 -1.297 0 N-CA-C 106.53 -1.656 . . . . 0.0 106.53 179.59 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 59' ' ' VAL . . . . . 0.508 HG12 ' CD1' ' A' ' 70' ' ' LEU . 6.2 m -117.77 160.66 17.21 Favored 'Isoleucine or valine' 0 C--N 1.302 -1.48 0 CA-C-N 115.581 -0.736 . . . . 0.0 110.898 -172.909 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 44.6 tt0 -126.82 108.81 11.36 Favored 'General case' 0 N--CA 1.43 -1.426 0 N-CA-C 106.428 -1.693 . . . . 0.0 106.428 175.048 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -79.65 87.65 5.18 Favored 'General case' 0 C--N 1.31 -1.126 0 N-CA-C 105.255 -2.128 . . . . 0.0 105.255 174.666 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 62.2 pttt -88.17 -25.16 23.09 Favored 'General case' 0 C--N 1.309 -1.188 0 N-CA-C 113.811 1.041 . . . . 0.0 113.811 -174.208 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 17.3 t70 -136.23 153.73 51.13 Favored 'General case' 0 C--N 1.307 -1.249 0 C-N-CA 119.678 -0.809 . . . . 0.0 109.117 -171.91 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 64' ' ' GLN . . . . . . . . . . . . . 79.3 mt-30 -69.31 -6.92 32.61 Favored 'General case' 0 C--O 1.237 0.404 0 O-C-N 123.896 0.747 . . . . 0.0 112.019 -176.887 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 65' ' ' ASN . . . . . . . . . . . . . 32.6 t-20 -59.16 -40.35 85.31 Favored 'General case' 0 CA--C 1.511 -0.52 0 N-CA-C 106.971 -1.492 . . . . 0.0 106.971 174.661 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 66' ' ' CYS . . . . . . . . . . . . . 81.9 m 60.91 45.38 9.65 Favored 'General case' 0 N--CA 1.443 -0.795 0 CA-C-N 114.514 -1.221 . . . . 0.0 111.064 -177.464 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 37.3 ttmt -81.24 157.19 25.26 Favored 'General case' 0 N--CA 1.405 -2.713 0 N-CA-C 104.765 -2.309 . . . . 0.0 104.765 172.348 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 68' ' ' VAL . . . . . . . . . . . . . 9.9 p -83.07 99.1 5.52 Favored 'Isoleucine or valine' 0 C--N 1.285 -2.196 0 CA-C-O 122.58 1.181 . . . . 0.0 109.672 -176.623 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 69' ' ' ILE . . . . . . . . . . . . . 90.5 mt -121.75 119.81 59.84 Favored 'Isoleucine or valine' 0 C--N 1.315 -0.922 0 CA-C-N 114.74 -1.118 . . . . 0.0 108.902 -177.994 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 70' ' ' LEU . . . . . 0.508 ' CD1' HG12 ' A' ' 59' ' ' VAL . 6.3 mp -94.89 136.84 34.72 Favored 'General case' 0 C--N 1.298 -1.662 0 CA-C-N 114.487 -1.233 . . . . 0.0 108.221 -179.027 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 71' ' ' THR . . . . . . . . . . . . . 10.8 t -83.28 1.84 38.95 Favored 'General case' 0 C--N 1.293 -1.868 0 CA-C-O 122.429 1.109 . . . . 0.0 110.924 -169.522 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 72' ' ' ASN . . . . . . . . . . . . . 93.2 m-20 -95.74 -6.87 38.77 Favored 'General case' 0 C--N 1.312 -1.044 0 CA-C-N 115.302 -0.863 . . . . 0.0 109.902 178.641 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 73' ' ' GLY . . . . . . . . . . . . . . . 92.64 16.63 48.21 Favored Glycine 0 CA--C 1.502 -0.771 0 N-CA-C 109.576 -1.409 . . . . 0.0 109.576 -179.714 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 74' ' ' LYS . . . . . 0.491 ' O ' ' HB2' ' A' ' 70' ' ' LEU . 72.0 mmtt -96.46 146.89 24.38 Favored 'General case' 0 N--CA 1.429 -1.492 0 CA-C-N 113.339 -1.43 . . . . 0.0 110.982 -175.373 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 75' ' ' GLN . . . . . . . . . . . . . 97.1 mt-30 -87.25 153.65 21.32 Favored 'General case' 0 C--N 1.304 -1.383 0 N-CA-C 104.864 -2.273 . . . . 0.0 104.864 170.188 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 76' ' ' ALA . . . . . 0.409 ' HB2' ' CD1' ' A' ' 70' ' ' LEU . . . -108.77 155.02 41.4 Favored Pre-proline 0 C--N 1.279 -2.473 0 N-CA-C 109.004 -0.739 . . . . 0.0 109.004 177.315 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 77' ' ' PRO . . . . . . . . . . . . . 79.3 Cg_exo -51.13 159.91 2.41 Favored 'Trans proline' 0 C--N 1.35 0.614 0 C-N-CA 123.575 2.85 . . . . 0.0 113.433 176.71 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 78' ' ' ASP . . . . . . . . . . . . . 6.7 m-20 -70.12 -1.44 10.05 Favored 'General case' 0 C--N 1.316 -0.871 0 C-N-CA 124.85 1.26 . . . . 0.0 112.012 -174.52 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 79' ' ' TRP . . . . . . . . . . . . . 57.6 p-90 -111.52 -3.94 14.98 Favored 'General case' 0 N--CA 1.444 -0.735 0 C-N-CA 122.92 0.488 . . . . 0.0 111.98 -179.92 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 32.0 tp -89.8 105.94 18.14 Favored 'General case' 0 C--N 1.311 -1.079 0 C-N-CA 119.141 -1.024 . . . . 0.0 110.048 -179.502 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -108.54 162.94 13.67 Favored 'General case' 0 C--N 1.315 -0.918 0 CA-C-O 121.771 0.796 . . . . 0.0 111.396 -177.685 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 82' ' ' ALA . . . . . 0.567 ' HA ' ' O ' ' A' ' 26' ' ' VAL . . . -147.78 141.9 26.06 Favored 'General case' 0 C--N 1.305 -1.367 0 CA-C-N 114.08 -1.418 . . . . 0.0 107.778 175.025 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 10.3 pt-20 -146.21 142.63 17.83 Favored Pre-proline 0 C--N 1.312 -1.046 0 N-CA-C 107.296 -1.372 . . . . 0.0 107.296 177.711 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 84' ' ' PRO . . . . . 0.667 ' HA ' ' O ' ' A' ' 24' ' ' SER . 72.3 Cg_endo -67.75 130.58 22.24 Favored 'Trans proline' 0 N--CA 1.453 -0.9 0 CA-C-N 121.085 1.423 . . . . 0.0 110.447 173.633 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 85' ' ' TYR . . . . . . . . . . . . . 0.3 OUTLIER . . . . . 0 C--N 1.318 -0.773 0 CA-C-N 113.995 -1.457 . . . . 0.0 114.67 -172.3 . . . . . . . . 1 1 . 1 stop_ save_