data_1xs8_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 1xs8 _Structure_validation_residue.Date_analyzed 2016-10-07 loop_ _Residue_analysis_software.Software_ID _Residue_analysis_software.Software_label _Residue_analysis_software.Method_ID _Residue_analysis_software.Method_label _Residue_analysis_software.Entry_ID _Residue_analysis_software.Structure_validation_oneline_list_ID 1 MolProbity . . ? 1 2 CYRANGE . . ? 1 stop_ loop_ _Residue_analysis.ID _Residue_analysis.PDB_model_num _Residue_analysis.Hydrogen_positions _Residue_analysis.MolProbity_flips _Residue_analysis.Cyrange_core_flag _Residue_analysis.Two_letter_chain_ID _Residue_analysis.PDB_strand_ID _Residue_analysis.PDB_residue_no _Residue_analysis.PDB_ins_code _Residue_analysis.PDB_residue_name _Residue_analysis.Assembly_ID _Residue_analysis.Entity_assembly_ID _Residue_analysis.Entity_ID _Residue_analysis.Comp_ID _Residue_analysis.Comp_index_ID _Residue_analysis.Clash_value _Residue_analysis.Clash_source_PDB_atom_name _Residue_analysis.Clash_destination_PDB_atom_name _Residue_analysis.Clash_destination_PDB_strand_ID _Residue_analysis.Clash_destination_PDB_residue_no _Residue_analysis.Clash_destination_PDB_ins_code _Residue_analysis.Clash_destination_PDB_residue_name _Residue_analysis.Cbeta_deviation_value _Residue_analysis.Rotamer_score _Residue_analysis.Rotamer_name _Residue_analysis.Ramachandran_phi _Residue_analysis.Ramachandran_psi _Residue_analysis.Ramachandran_score _Residue_analysis.Ramachandran_evaluation _Residue_analysis.Ramachandran_type _Residue_analysis.Bond_outlier_count _Residue_analysis.Worst_bond _Residue_analysis.Worst_bond_value _Residue_analysis.Worst_bond_sigma _Residue_analysis.Angle_outlier_count _Residue_analysis.Worst_angle _Residue_analysis.Worst_angle_value _Residue_analysis.Worst_angle_sigma _Residue_analysis.RNA_phosphate_perpendicular_outlier _Residue_analysis.RNA_suitness_score _Residue_analysis.RNA_suite_conformer _Residue_analysis.RNA_suite_triage _Residue_analysis.Max_b_factor _Residue_analysis.Tau_angle _Residue_analysis.Omega_dihedral _Residue_analysis.Disulfide_chi1 _Residue_analysis.Disulfide_chi2 _Residue_analysis.Disulfide_chi3 _Residue_analysis.Disulfide_ss_angle _Residue_analysis.Disulfide_ss _Residue_analysis.Disulfide_ss_angle_prime _Residue_analysis.Disulfide_chi2prime _Residue_analysis.Disulfide_chi1prime _Residue_analysis.Outlier_count_separate_geometry _Residue_analysis.Outlier_count _Residue_analysis.Entry_ID _Residue_analysis.Structure_validation_residue_list_ID . 001 nuclear orig core ' A' A ' 3' ' ' ARG . . . . . . . . . . . . . 32.8 tpt180 . . . . . 0 N--CA 1.453 -0.301 0 N-CA-C 109.904 -0.406 . . . . 0.0 109.904 . . . . . . . . . 0 0 . 1 . 001 nuclear orig core ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 5.5 p -84.99 127.02 34.01 Favored 'General case' 0 C--N 1.323 -0.566 0 CA-C-N 115.841 -0.618 . . . . 0.0 111.69 -176.903 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 5' ' ' ILE . . . . . . . . . . . . . 2.7 pp -132.74 177.5 7.04 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.594 0 CA-C-N 115.74 -0.664 . . . . 0.0 109.656 174.051 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 6' ' ' PHE . . . . . . . . . . . . . 84.6 m-85 -111.69 103.72 12.03 Favored 'General case' 0 C--N 1.321 -0.658 0 CA-C-O 121.021 0.439 . . . . 0.0 109.871 177.34 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 7' ' ' CYS . . . . . 0.427 ' HA ' ' O ' ' A' ' 33' ' ' GLU . 49.2 t -77.24 135.05 38.44 Favored 'General case' 0 C--N 1.322 -0.599 0 CA-C-N 115.719 -0.673 . . . . 0.0 110.722 -176.946 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 4.5 p -59.17 -40.31 85.24 Favored 'General case' 0 C--N 1.325 -0.475 0 CA-C-N 116.018 -0.537 . . . . 0.0 111.611 179.376 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 9' ' ' TYR . . . . . . . . . . . . . 56.3 t80 -75.61 -16.23 60.25 Favored 'General case' 0 C--N 1.322 -0.609 0 CA-C-N 115.829 -0.623 . . . . 0.0 111.477 -174.618 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 96.6 mt -111.06 -31.15 7.21 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.679 -0.237 . . . . 0.0 111.62 -176.796 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 31.2 mm-40 64.0 23.16 13.19 Favored 'General case' 0 N--CA 1.467 0.393 0 CA-C-O 121.059 0.457 . . . . 0.0 111.216 -179.028 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 10.8 ptm180 -144.55 179.14 7.47 Favored 'General case' 0 C--N 1.325 -0.49 0 CA-C-N 115.974 -0.557 . . . . 0.0 110.169 178.408 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 6.2 p-10 -59.87 133.44 56.1 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-N 115.761 -0.654 . . . . 0.0 110.18 174.959 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -145.38 167.24 23.38 Favored 'General case' 0 C--N 1.319 -0.719 0 CA-C-N 115.591 -0.731 . . . . 0.0 110.369 -179.186 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 38.3 tt0 -90.99 128.55 36.86 Favored 'General case' 0 C--N 1.323 -0.575 0 N-CA-C 109.672 -0.492 . . . . 0.0 109.672 -179.396 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . -60.84 153.4 37.77 Favored Glycine 0 N--CA 1.449 -0.466 0 C-N-CA 121.131 -0.557 . . . . 0.0 112.78 -179.282 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 17' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -66.27 171.3 4.9 Favored 'General case' 0 C--N 1.327 -0.376 0 C-N-CA 122.331 0.252 . . . . 0.0 110.95 179.254 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 28.8 m-20 -71.66 -87.57 0.02 OUTLIER 'General case' 0 N--CA 1.464 0.259 0 N-CA-C 112.358 0.503 . . . . 0.0 112.358 -174.143 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 36.9 p90 -163.19 -174.88 4.02 Favored 'General case' 0 C--O 1.237 0.442 0 CA-C-N 116.346 -0.388 . . . . 0.0 110.507 -175.69 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 72.9 mm-40 -74.36 98.5 3.27 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-O 121.353 0.597 . . . . 0.0 110.463 -179.268 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -104.03 5.15 35.15 Favored 'General case' 0 C--N 1.319 -0.749 0 CA-C-N 115.411 -0.813 . . . . 0.0 110.796 -178.948 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 22' ' ' TYR . . . . . 0.489 ' HB3' ' HD3' ' A' ' 23' ' ' PRO . 64.9 t80 -176.0 -49.57 0.0 OUTLIER Pre-proline 0 CA--C 1.534 0.343 0 CA-C-N 115.697 -0.683 . . . . 0.0 110.866 177.525 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 23' ' ' PRO . . . . . 0.489 ' HD3' ' HB3' ' A' ' 22' ' ' TYR . 4.6 Cg_exo -80.15 -171.45 1.25 Allowed 'Trans proline' 0 C--N 1.355 0.873 0 C-N-CA 122.055 1.837 . . . . 0.0 111.883 178.754 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 24' ' ' GLY . . . . . 0.4 ' O ' ' HG2' ' A' ' 28' ' ' LYS . . . -144.84 -83.93 0.06 OUTLIER Glycine 0 N--CA 1.445 -0.755 0 C-N-CA 120.872 -0.68 . . . . 0.0 111.799 177.859 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 18.1 mm-40 -71.69 -48.62 46.16 Favored 'General case' 0 C--N 1.324 -0.512 0 N-CA-C 110.215 -0.291 . . . . 0.0 110.215 -178.647 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 93.8 mt -62.34 -37.12 84.41 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 115.95 -0.568 . . . . 0.0 110.212 176.187 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . -55.46 -60.28 9.09 Favored Glycine 0 N--CA 1.448 -0.538 0 CA-C-N 115.503 -0.771 . . . . 0.0 112.501 -178.986 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 28' ' ' LYS . . . . . 0.4 ' HG2' ' O ' ' A' ' 24' ' ' GLY . 18.4 pttp -68.18 -30.07 69.09 Favored 'General case' 0 C--N 1.326 -0.454 0 C-N-CA 120.748 -0.381 . . . . 0.0 111.748 -176.157 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 37.0 ttp180 -65.58 -28.22 68.99 Favored 'General case' 0 C--N 1.331 -0.213 0 CA-C-O 120.791 0.329 . . . . 0.0 110.598 178.695 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 30' ' ' ILE . . . . . . . . . . . . . 92.8 mt -91.25 -39.26 11.56 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.528 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.815 178.354 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 31' ' ' TYR . . . . . . . . . . . . . 20.2 m-30 -55.54 -33.97 64.3 Favored 'General case' 0 N--CA 1.467 0.419 0 N-CA-C 112.63 0.604 . . . . 0.0 112.63 -177.49 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 32' ' ' ASN . . . . . . . . . . . . . 9.9 p30 -79.29 -11.77 59.94 Favored 'General case' 0 C--N 1.327 -0.373 0 C-N-CA 120.191 -0.604 . . . . 0.0 111.589 -176.992 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 33' ' ' GLU . . . . . 0.427 ' O ' ' HA ' ' A' ' 7' ' ' CYS . 8.3 mm-40 -112.43 -14.33 13.28 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 121.062 0.458 . . . . 0.0 110.736 -179.391 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 34' ' ' ILE . . . . . . . . . . . . . 24.4 mm -123.32 125.39 71.72 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.508 0 CA-C-O 121.441 0.638 . . . . 0.0 112.141 -172.89 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 44.3 t -80.63 161.78 24.53 Favored 'General case' 0 N--CA 1.449 -0.524 0 CA-C-N 114.989 -1.005 . . . . 0.0 110.138 175.713 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 39.7 mttm -52.54 -33.0 43.47 Favored 'General case' 0 C--N 1.325 -0.5 0 CA-C-N 115.7 -0.682 . . . . 0.0 110.709 174.299 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 12.4 t0 -59.22 -60.3 4.07 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 115.387 -0.824 . . . . 0.0 110.498 179.645 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -64.62 -35.16 80.1 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 115.822 -0.626 . . . . 0.0 111.361 -177.519 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 39' ' ' TRP . . . . . . . . . . . . . 66.0 t-105 -58.63 -45.24 89.68 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 115.782 -0.644 . . . . 0.0 109.977 177.505 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -69.34 -42.81 74.81 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 115.804 -0.634 . . . . 0.0 110.94 178.955 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 30.5 mm-40 -52.78 -54.63 31.35 Favored 'General case' 0 C--O 1.235 0.307 0 CA-C-N 116.133 -0.485 . . . . 0.0 111.447 179.894 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 42' ' ' TRP . . . . . . . . . . . . . 37.1 t-105 -67.55 -46.83 71.6 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 116.27 -0.423 . . . . 0.0 111.98 -174.713 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 43' ' ' GLN . . . . . . . . . . . . . 71.5 mt-30 -61.67 -27.83 68.96 Favored 'General case' 0 C--N 1.326 -0.451 0 C-N-CA 120.792 -0.363 . . . . 0.0 111.443 -176.789 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 44' ' ' HIS . . . . . . . . . . . . . 64.0 m170 -70.46 -46.54 63.6 Favored 'General case' 0 C--N 1.325 -0.459 0 CA-C-O 120.994 0.426 . . . . 0.0 109.875 175.342 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 45' ' ' LYS . . . . . 0.532 ' O ' ' HG ' ' A' ' 49' ' ' LEU . 4.2 tppp? -63.96 -45.98 86.7 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 115.637 -0.71 . . . . 0.0 111.398 -178.567 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 46' ' ' GLN . . . . . 0.483 ' O ' HG13 ' A' ' 50' ' ' ILE . 6.7 tp-100 -65.49 -40.74 93.41 Favored 'General case' 0 C--N 1.327 -0.386 0 C-N-CA 121.104 -0.238 . . . . 0.0 110.974 -178.099 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 88.3 m -56.62 -43.01 79.78 Favored 'General case' 0 C--O 1.235 0.327 0 CA-C-O 120.848 0.356 . . . . 0.0 110.044 176.102 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 48' ' ' MET . . . . . . . . . . . . . 15.2 tpt -61.35 -44.54 97.0 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 115.86 -0.609 . . . . 0.0 110.379 175.264 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 49' ' ' LEU . . . . . 0.532 ' HG ' ' O ' ' A' ' 45' ' ' LYS . 85.4 mt -61.38 -41.7 97.53 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.039 -179.558 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 50' ' ' ILE . . . . . 0.483 HG13 ' O ' ' A' ' 46' ' ' GLN . 77.8 mt -61.75 -33.65 58.63 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-O 120.767 0.318 . . . . 0.0 110.832 179.107 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 51' ' ' ASN . . . . . . . . . . . . . 87.8 m-20 -70.53 -29.52 66.03 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-O 120.901 0.381 . . . . 0.0 110.582 178.389 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 13.1 mm-40 -82.75 -46.12 13.55 Favored 'General case' 0 C--N 1.325 -0.485 0 CA-C-N 116.119 -0.491 . . . . 0.0 111.095 179.263 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 93.5 mttt -74.03 -27.73 61.08 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 115.646 -0.707 . . . . 0.0 111.248 -176.678 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 27.2 mtpp 63.27 30.41 15.74 Favored 'General case' 0 N--CA 1.467 0.412 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.767 179.937 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 4.1 pp -85.46 158.2 20.26 Favored 'General case' 0 C--N 1.325 -0.482 0 CA-C-O 121.073 0.463 . . . . 0.0 111.882 -173.313 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 56' ' ' ASN . . . . . . . . . . . . . 9.7 p30 -116.13 150.11 37.92 Favored 'General case' 0 C--N 1.324 -0.538 0 CA-C-N 115.55 -0.75 . . . . 0.0 109.189 175.205 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 57' ' ' MET . . . . . . . . . . . . . 26.3 mmt -89.11 15.77 8.24 Favored 'General case' 0 C--N 1.323 -0.562 0 N-CA-C 111.979 0.362 . . . . 0.0 111.979 -175.764 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 58' ' ' MET . . . . . . . . . . . . . 55.6 mtm -94.7 -2.92 50.28 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-O 121.04 0.448 . . . . 0.0 110.559 179.589 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 59' ' ' ASN . . . . . . . . . . . . . 14.8 m120 -116.24 132.7 56.59 Favored 'General case' 0 C--N 1.323 -0.577 0 CA-C-N 116.359 -0.382 . . . . 0.0 110.166 -179.095 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -57.43 -33.14 67.59 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.078 -0.51 . . . . 0.0 111.036 -179.153 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 30.2 mt-10 -52.41 -57.35 10.11 Favored 'General case' 0 C--O 1.235 0.34 0 CA-C-O 121.712 0.768 . . . . 0.0 110.547 176.712 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 62' ' ' HIS . . . . . . . . . . . . . 67.4 m-70 -80.55 -24.09 39.51 Favored 'General case' 0 C--N 1.322 -0.629 0 CA-C-N 115.185 -0.916 . . . . 0.0 110.521 -173.73 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 63' ' ' ARG . . . . . . . . . . . . . 20.9 tpt180 -69.92 -42.2 73.62 Favored 'General case' 0 C--N 1.325 -0.457 0 CA-C-N 115.932 -0.577 . . . . 0.0 110.207 178.548 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 12.5 pttp -74.08 -22.59 59.45 Favored 'General case' 0 N--CA 1.455 -0.199 0 C-N-CA 120.659 -0.416 . . . . 0.0 110.044 179.476 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -57.88 -53.92 52.8 Favored 'General case' 0 CA--C 1.519 -0.214 0 CA-C-O 120.893 0.378 . . . . 0.0 110.1 171.749 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 55.0 tp -53.83 -46.61 71.23 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 115.368 -0.833 . . . . 0.0 110.622 178.389 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 31.9 tt0 -60.89 -51.48 69.13 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 115.866 -0.606 . . . . 0.0 111.021 -178.422 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 68' ' ' GLN . . . . . . . . . . . . . 42.9 mt-30 -52.17 -58.71 5.78 Favored 'General case' 0 C--O 1.234 0.259 0 CA-C-O 121.062 0.458 . . . . 0.0 111.316 179.042 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 42.1 mt-10 -63.72 -41.97 98.0 Favored 'General case' 0 C--N 1.325 -0.474 0 CA-C-N 115.433 -0.803 . . . . 0.0 111.372 -174.393 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 70' ' ' MET . . . . . . . . . . . . . 28.1 ttt -62.31 -49.83 74.07 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.483 -0.326 . . . . 0.0 111.188 -177.419 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 71' ' ' VAL . . . . . . . . . . . . . 60.6 t -65.96 -39.95 86.03 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.379 0 CA-C-N 116.469 -0.332 . . . . 0.0 110.718 -179.592 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 72' ' ' SER . . . . . 0.515 ' O ' ' HA ' ' A' ' 76' ' ' GLU . 23.3 t -67.1 -36.12 81.26 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-N 116.633 -0.258 . . . . 0.0 111.545 -177.137 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 73' ' ' PHE . . . . . . . . . . . . . 56.9 t80 -80.84 -46.82 14.73 Favored 'General case' 0 C--N 1.323 -0.575 0 CA-C-O 120.577 0.227 . . . . 0.0 111.193 -177.088 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 74' ' ' LEU . . . . . . . . . . . . . 96.4 mt -83.45 -52.57 6.4 Favored 'General case' 0 C--N 1.33 -0.28 0 N-CA-C 112.061 0.393 . . . . 0.0 112.061 -174.557 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 75' ' ' PHE . . . . . . . . . . . . . 48.1 t80 -87.71 -27.71 22.23 Favored 'General case' 0 C--N 1.323 -0.562 0 CA-C-O 120.661 0.267 . . . . 0.0 110.557 -175.228 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 76' ' ' GLU . . . . . 0.515 ' HA ' ' O ' ' A' ' 72' ' ' SER . 58.7 mt-10 72.85 -56.55 0.66 Allowed 'General case' 0 N--CA 1.468 0.442 0 C-N-CA 123.887 0.875 . . . . 0.0 112.148 176.808 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . -78.59 70.18 2.71 Favored Glycine 0 N--CA 1.452 -0.245 0 C-N-CA 121.396 -0.43 . . . . 0.0 113.057 -175.985 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -92.5 170.23 9.92 Favored 'General case' 0 C--N 1.324 -0.53 0 CA-C-O 120.757 0.313 . . . . 0.0 110.98 176.932 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 79' ' ' ASP . . . . . . . . . . . . . 16.8 t70 -113.87 -5.79 13.23 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-O 121.454 0.645 . . . . 0.0 110.215 179.808 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 80' ' ' VAL . . . . . . . . . . . . . 75.2 t . . . . . 0 C--N 1.325 -0.484 0 CA-C-N 115.658 -0.701 . . . . 0.0 111.081 -177.939 . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' A' A ' 3' ' ' ARG . . . . . . . . . . . . . 54.7 ttp180 . . . . . 0 N--CA 1.452 -0.33 0 N-CA-C 109.632 -0.507 . . . . 0.0 109.632 . . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 56.7 m -80.7 117.42 21.36 Favored 'General case' 0 C--N 1.323 -0.568 0 CA-C-N 115.924 -0.58 . . . . 0.0 110.865 -177.637 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 5' ' ' ILE . . . . . 0.51 ' O ' ' HA ' ' A' ' 13' ' ' ASP . 2.7 pp -127.52 173.42 12.92 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.71 0 CA-C-N 115.771 -0.65 . . . . 0.0 110.428 -177.973 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 6' ' ' PHE . . . . . . . . . . . . . 99.4 m-85 -98.11 102.85 14.71 Favored 'General case' 0 C--N 1.323 -0.584 0 N-CA-C 109.431 -0.581 . . . . 0.0 109.431 174.915 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 7' ' ' CYS . . . . . 0.408 ' HG ' ' HA ' ' A' ' 34' ' ' ILE . 53.0 t -71.83 138.51 48.35 Favored 'General case' 0 C--N 1.321 -0.638 0 CA-C-N 115.907 -0.588 . . . . 0.0 110.501 -176.754 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 2.4 p -62.47 -41.38 98.74 Favored 'General case' 0 C--N 1.325 -0.487 0 N-CA-C 111.858 0.318 . . . . 0.0 111.858 -178.633 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 9' ' ' TYR . . . . . . . . . . . . . 75.4 t80 -71.19 -27.32 63.42 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-O 120.631 0.253 . . . . 0.0 111.457 -176.181 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 7.3 mp -100.61 -25.66 14.09 Favored 'General case' 0 C--N 1.325 -0.463 0 C-N-CA 121.056 -0.258 . . . . 0.0 111.363 -178.712 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 33.3 mm-40 66.19 9.71 6.53 Favored 'General case' 0 N--CA 1.468 0.453 0 C-N-CA 123.166 0.586 . . . . 0.0 110.978 -176.309 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 56.7 mtt180 -132.07 -176.93 4.23 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 115.969 -0.56 . . . . 0.0 109.871 -177.077 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 13' ' ' ASP . . . . . 0.51 ' HA ' ' O ' ' A' ' 5' ' ' ILE . 9.3 p-10 -78.32 134.57 37.47 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-O 121.592 0.71 . . . . 0.0 111.452 -176.591 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -152.53 179.98 8.1 Favored 'General case' 0 C--N 1.322 -0.615 0 CA-C-N 114.8 -1.091 . . . . 0.0 109.777 179.995 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 15' ' ' GLU . . . . . 0.549 ' O ' ' HA ' ' A' ' 35' ' ' SER . 10.7 tp10 -80.06 129.58 34.6 Favored 'General case' 0 C--N 1.324 -0.512 0 N-CA-C 109.522 -0.548 . . . . 0.0 109.522 179.431 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . -81.28 43.45 2.89 Favored Glycine 0 N--CA 1.452 -0.26 0 C-N-CA 121.258 -0.496 . . . . 0.0 113.794 -174.926 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 17' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER 42.67 65.98 0.84 Allowed 'General case' 0 C--O 1.237 0.415 0 C-N-CA 123.386 0.675 . . . . 0.0 112.331 175.315 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 6.8 p-10 -67.26 119.81 12.76 Favored 'General case' 0 C--N 1.323 -0.555 0 CA-C-O 120.73 0.3 . . . . 0.0 110.605 177.736 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -174.42 -73.7 0.01 OUTLIER 'General case' 0 C--N 1.332 -0.193 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.339 179.484 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 14.5 mm-40 62.11 84.57 0.14 Allowed 'General case' 0 N--CA 1.467 0.403 0 O-C-N 123.581 0.55 . . . . 0.0 110.295 -172.176 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 21' ' ' LEU . . . . . 0.416 HD13 ' N ' ' A' ' 21' ' ' LEU . 3.6 mp -93.69 -74.71 0.52 Allowed 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 115.487 -0.778 . . . . 0.0 110.797 -173.563 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 22' ' ' TYR . . . . . 0.477 ' HB2' ' HD3' ' A' ' 23' ' ' PRO . 27.2 m-85 -113.65 -50.96 0.05 OUTLIER Pre-proline 0 C--N 1.327 -0.399 0 CA-C-N 115.945 -0.57 . . . . 0.0 111.427 -178.329 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 23' ' ' PRO . . . . . 0.477 ' HD3' ' HB2' ' A' ' 22' ' ' TYR . 6.0 Cg_exo -77.63 131.87 11.7 Favored 'Trans proline' 0 C--N 1.359 1.092 0 C-N-CA 121.947 1.765 . . . . 0.0 111.815 -179.107 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 24' ' ' GLY . . . . . 0.416 ' O ' ' HG2' ' A' ' 28' ' ' LYS . . . -91.73 -90.18 1.43 Allowed Glycine 0 N--CA 1.448 -0.539 0 C-N-CA 120.822 -0.704 . . . . 0.0 112.226 -177.733 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 48.0 mt-10 -60.46 -48.0 83.67 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-O 120.409 0.147 . . . . 0.0 110.994 -178.682 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 64.3 tp -65.49 -35.88 82.18 Favored 'General case' 0 C--N 1.326 -0.445 0 CA-C-O 121.063 0.458 . . . . 0.0 110.2 177.805 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 27' ' ' GLY . . . . . 0.421 ' CA ' ' HB2' ' A' ' 23' ' ' PRO . . . -61.77 -54.54 34.64 Favored Glycine 0 N--CA 1.45 -0.408 0 CA-C-N 115.681 -0.69 . . . . 0.0 111.978 -179.71 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 28' ' ' LYS . . . . . 0.416 ' HG2' ' O ' ' A' ' 24' ' ' GLY . 57.9 pttt -71.43 -21.94 61.91 Favored 'General case' 0 C--N 1.327 -0.374 0 C-N-CA 120.874 -0.33 . . . . 0.0 110.935 -179.222 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 79.3 ttt180 -63.31 -31.98 73.28 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-O 121.042 0.449 . . . . 0.0 110.192 175.063 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 30' ' ' ILE . . . . . . . . . . . . . 73.5 mt -86.28 -47.11 16.54 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 CA-C-N 116.0 -0.545 . . . . 0.0 110.613 176.656 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 31' ' ' TYR . . . . . . . . . . . . . 21.9 m-85 -68.04 -19.83 64.93 Favored 'General case' 0 N--CA 1.464 0.229 0 N-CA-C 112.542 0.571 . . . . 0.0 112.542 -173.851 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 32' ' ' ASN . . . . . . . . . . . . . 35.8 p30 -69.72 -15.92 63.24 Favored 'General case' 0 C--N 1.327 -0.397 0 O-C-N 122.221 -0.299 . . . . 0.0 111.599 -177.39 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 39.9 mt-10 -137.73 22.91 2.89 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-O 120.836 0.351 . . . . 0.0 110.932 177.12 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 34' ' ' ILE . . . . . 0.409 ' CD1' ' HB3' ' A' ' 74' ' ' LEU . 17.2 mm -130.8 124.1 55.81 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 CA-C-O 121.042 0.448 . . . . 0.0 110.993 178.576 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 35' ' ' SER . . . . . 0.549 ' HA ' ' O ' ' A' ' 15' ' ' GLU . 26.9 p -80.66 161.27 24.74 Favored 'General case' 0 N--CA 1.449 -0.507 0 CA-C-N 115.548 -0.751 . . . . 0.0 110.889 178.271 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 95.9 mttt -62.83 -30.58 71.6 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-N 115.907 -0.588 . . . . 0.0 109.805 176.542 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 13.9 m-20 -63.53 -52.75 59.81 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 115.688 -0.687 . . . . 0.0 110.036 177.451 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -62.95 -44.04 97.14 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 115.897 -0.592 . . . . 0.0 110.842 -179.409 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 39' ' ' TRP . . . . . . . . . . . . . 68.0 t-105 -60.82 -53.44 57.37 Favored 'General case' 0 C--N 1.331 -0.216 0 CA-C-N 116.079 -0.509 . . . . 0.0 110.957 -179.936 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -62.31 -44.76 95.76 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.258 -0.428 . . . . 0.0 111.167 -177.252 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 14.4 mm100 -64.9 -37.88 89.11 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 116.633 -0.258 . . . . 0.0 111.421 -179.066 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 42' ' ' TRP . . . . . 0.433 ' CZ2' ' HB3' ' A' ' 69' ' ' GLU . 24.2 t-105 -65.09 -49.74 68.83 Favored 'General case' 0 C--N 1.33 -0.27 0 C-N-CA 120.668 -0.413 . . . . 0.0 110.713 177.113 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 43' ' ' GLN . . . . . . . . . . . . . 29.3 mm-40 -60.92 -40.11 91.95 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-O 121.064 0.459 . . . . 0.0 110.247 -179.811 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 44' ' ' HIS . . . . . . . . . . . . . 10.1 t60 -63.97 -46.86 82.78 Favored 'General case' 0 C--N 1.324 -0.519 0 CA-C-N 115.701 -0.681 . . . . 0.0 110.367 178.591 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 45' ' ' LYS . . . . . 0.475 ' HZ1' HD11 ' A' ' 49' ' ' LEU . 24.8 tptp -61.13 -44.88 96.65 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 115.686 -0.688 . . . . 0.0 110.473 178.977 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 46' ' ' GLN . . . . . 0.448 ' O ' HG13 ' A' ' 50' ' ' ILE . 25.0 tp60 -60.68 -38.92 86.55 Favored 'General case' 0 C--N 1.325 -0.464 0 CA-C-N 115.798 -0.637 . . . . 0.0 110.494 178.673 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 64.1 m -58.68 -44.12 90.17 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.856 178.52 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 48' ' ' MET . . . . . . . . . . . . . 25.9 ttt -63.06 -44.35 96.07 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 121.002 0.43 . . . . 0.0 110.524 178.785 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 49' ' ' LEU . . . . . 0.475 HD11 ' HZ1' ' A' ' 45' ' ' LYS . 8.8 mp -61.93 -37.15 83.62 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 115.935 -0.575 . . . . 0.0 111.52 -179.058 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 50' ' ' ILE . . . . . 0.448 HG13 ' O ' ' A' ' 46' ' ' GLN . 84.6 mt -61.7 -41.6 91.08 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.346 0 CA-C-N 116.292 -0.413 . . . . 0.0 110.4 176.725 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 51' ' ' ASN . . . . . . . . . . . . . 27.7 m-80 -68.62 -41.04 80.05 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.016 -0.538 . . . . 0.0 110.738 178.959 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 51.4 mm-40 -68.02 -50.1 57.45 Favored 'General case' 0 C--N 1.325 -0.465 0 CA-C-N 115.943 -0.571 . . . . 0.0 112.055 -177.954 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 50.1 mtmt -88.54 0.02 56.76 Favored 'General case' 0 C--N 1.325 -0.459 0 C-N-CA 121.13 -0.228 . . . . 0.0 111.461 -174.408 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 13.8 mptt 58.3 69.34 0.74 Allowed 'General case' 0 C--O 1.234 0.243 0 CA-C-O 121.344 0.592 . . . . 0.0 111.358 178.373 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 55' ' ' LEU . . . . . 0.418 HD23 ' CE1' ' A' ' 62' ' ' HIS . 20.0 mt -110.15 148.18 32.27 Favored 'General case' 0 C--N 1.322 -0.613 0 CA-C-N 115.796 -0.638 . . . . 0.0 109.779 178.491 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 56' ' ' ASN . . . . . . . . . . . . . 59.9 t30 -112.37 119.08 37.05 Favored 'General case' 0 C--N 1.323 -0.58 0 N-CA-C 109.059 -0.719 . . . . 0.0 109.059 171.954 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 57' ' ' MET . . . . . . . . . . . . . 0.7 OUTLIER -84.62 65.23 8.93 Favored 'General case' 0 C--N 1.323 -0.579 0 CA-C-O 121.408 0.623 . . . . 0.0 111.979 -169.127 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 58' ' ' MET . . . . . . . . . . . . . 24.8 ptt? -133.67 -27.44 1.51 Allowed 'General case' 0 C--N 1.323 -0.566 0 CA-C-N 115.386 -0.824 . . . . 0.0 110.119 173.93 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 59' ' ' ASN . . . . . . . . . . . . . 2.1 m-20 -74.81 141.23 44.34 Favored 'General case' 0 C--O 1.236 0.35 0 CA-C-N 116.274 -0.421 . . . . 0.0 110.705 -178.062 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -63.2 -25.56 68.39 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.582 178.764 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 6.3 mm-40 -61.65 -38.4 87.56 Favored 'General case' 0 C--N 1.325 -0.461 0 CA-C-N 115.865 -0.607 . . . . 0.0 110.908 177.815 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 62' ' ' HIS . . . . . 0.418 ' CE1' HD23 ' A' ' 55' ' ' LEU . 95.6 m-70 -84.32 -19.19 34.13 Favored 'General case' 0 C--N 1.324 -0.507 0 C-N-CA 120.494 -0.483 . . . . 0.0 109.881 178.302 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 63' ' ' ARG . . . . . . . . . . . . . 33.5 mmt180 -69.84 -47.46 62.61 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.381 174.892 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 64' ' ' LYS . . . . . 0.534 ' HZ2' ' HB3' ' A' ' 64' ' ' LYS . 0.4 OUTLIER -66.63 -35.27 79.77 Favored 'General case' 0 C--O 1.224 -0.271 0 C-N-CA 120.997 -0.281 . . . . 0.0 110.28 177.866 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 1.3 mm? -63.07 -47.57 82.38 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-O 120.902 0.382 . . . . 0.0 110.241 175.536 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 62.2 tp -59.68 -41.19 90.12 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 115.852 -0.613 . . . . 0.0 110.432 176.721 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 32.4 tt0 -63.99 -52.19 60.74 Favored 'General case' 0 C--N 1.324 -0.538 0 CA-C-N 115.863 -0.608 . . . . 0.0 110.64 -179.571 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 68' ' ' GLN . . . . . . . . . . . . . 55.7 mt-30 -57.51 -50.44 73.06 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.943 178.462 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 69' ' ' GLU . . . . . 0.433 ' HB3' ' CZ2' ' A' ' 42' ' ' TRP . 8.0 mm-40 -62.23 -39.7 93.69 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-N 115.995 -0.548 . . . . 0.0 111.498 -179.643 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 70' ' ' MET . . . . . . . . . . . . . 57.0 ttp -64.25 -47.3 80.14 Favored 'General case' 0 C--N 1.324 -0.536 0 CA-C-O 120.863 0.363 . . . . 0.0 110.845 179.882 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 71' ' ' VAL . . . . . . . . . . . . . 47.1 t -73.59 -12.34 15.35 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.442 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.788 -178.907 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 8.0 t -94.14 -50.48 5.27 Favored 'General case' 0 C--N 1.325 -0.459 0 CA-C-O 120.85 0.357 . . . . 0.0 110.97 178.832 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 73' ' ' PHE . . . . . . . . . . . . . 70.9 t80 -70.04 -49.24 53.25 Favored 'General case' 0 C--N 1.323 -0.572 0 CA-C-O 120.953 0.406 . . . . 0.0 111.313 -176.303 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 74' ' ' LEU . . . . . 0.409 ' HB3' ' CD1' ' A' ' 34' ' ' ILE . 77.2 mt -78.31 -55.13 5.48 Favored 'General case' 0 C--N 1.323 -0.548 0 N-CA-C 112.138 0.421 . . . . 0.0 112.138 -173.489 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 75' ' ' PHE . . . . . . . . . . . . . 52.1 t80 -98.33 -40.47 8.3 Favored 'General case' 0 C--N 1.321 -0.638 0 CA-C-O 120.907 0.384 . . . . 0.0 111.023 -174.555 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 6.4 tp10 56.73 67.9 0.93 Allowed 'General case' 0 C--N 1.326 -0.45 0 CA-C-N 115.091 -0.959 . . . . 0.0 110.874 -174.064 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . -146.62 31.36 1.51 Allowed Glycine 0 N--CA 1.445 -0.766 0 CA-C-N 114.906 -1.043 . . . . 0.0 110.829 177.172 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 78' ' ' LYS . . . . . 0.429 ' HD2' ' O ' ' A' ' 78' ' ' LYS . 2.8 pptp? -94.23 144.36 25.58 Favored 'General case' 0 C--N 1.325 -0.497 0 CA-C-N 115.394 -0.403 . . . . 0.0 111.425 -175.112 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 79' ' ' ASP . . . . . . . . . . . . . 22.3 t70 -100.92 -26.09 13.86 Favored 'General case' 0 C--N 1.322 -0.598 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.316 174.969 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 80' ' ' VAL . . . . . . . . . . . . . 16.9 t . . . . . 0 C--N 1.329 -0.288 0 CA-C-N 115.74 -0.664 . . . . 0.0 110.587 -176.817 . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' A' A ' 3' ' ' ARG . . . . . . . . . . . . . 75.5 ttt180 . . . . . 0 N--CA 1.453 -0.284 0 N-CA-C 109.467 -0.568 . . . . 0.0 109.467 . . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 11.5 p -76.36 124.07 26.94 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.313 -178.167 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 5' ' ' ILE . . . . . . . . . . . . . 2.7 pp -136.29 178.26 5.25 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.569 0 CA-C-N 115.856 -0.611 . . . . 0.0 110.401 179.828 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 6' ' ' PHE . . . . . . . . . . . . . 95.1 m-85 -112.96 101.87 9.89 Favored 'General case' 0 C--N 1.321 -0.661 0 N-CA-C 109.672 -0.492 . . . . 0.0 109.672 175.83 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 7' ' ' CYS . . . . . 0.535 ' HA ' ' O ' ' A' ' 33' ' ' GLU . 49.8 t -70.49 123.17 21.16 Favored 'General case' 0 C--N 1.323 -0.569 0 N-CA-C 109.902 -0.407 . . . . 0.0 109.902 179.954 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 11.4 p -66.66 -32.11 73.21 Favored 'General case' 0 C--N 1.322 -0.605 0 CA-C-N 116.291 -0.413 . . . . 0.0 111.968 -176.351 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 9' ' ' TYR . . . . . . . . . . . . . 89.2 t80 -65.12 -30.97 71.95 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-O 121.173 0.511 . . . . 0.0 110.61 177.263 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 85.1 mt -98.35 -29.23 13.27 Favored 'General case' 0 C--N 1.324 -0.532 0 CA-C-N 116.165 -0.47 . . . . 0.0 111.248 -176.86 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 84.4 mm-40 62.07 28.43 17.17 Favored 'General case' 0 N--CA 1.465 0.321 0 CA-C-O 121.453 0.644 . . . . 0.0 109.905 -174.923 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 20.7 mtp180 -139.42 174.14 10.82 Favored 'General case' 0 C--N 1.325 -0.498 0 CA-C-N 115.219 -0.9 . . . . 0.0 110.595 -174.273 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 18.2 t70 -68.04 127.66 33.7 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 115.983 -0.553 . . . . 0.0 109.622 175.019 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -143.78 172.42 12.86 Favored 'General case' 0 C--N 1.322 -0.626 0 CA-C-O 121.128 0.489 . . . . 0.0 111.268 -177.315 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 45.3 tt0 -100.25 132.1 45.81 Favored 'General case' 0 C--N 1.321 -0.645 0 CA-C-N 115.589 -0.732 . . . . 0.0 109.677 -179.042 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . -58.42 146.0 41.27 Favored Glycine 0 N--CA 1.448 -0.538 0 C-N-CA 120.975 -0.631 . . . . 0.0 111.618 176.002 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 17' ' ' GLN . . . . . . . . . . . . . 29.0 mt-30 -65.61 -88.36 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.447 0 CA-C-O 121.533 0.682 . . . . 0.0 111.868 -177.053 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 24.8 m-20 -142.3 -167.34 2.46 Favored 'General case' 0 C--N 1.32 -0.69 0 CA-C-N 115.405 -0.816 . . . . 0.0 109.782 -173.223 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 93.5 m-85 -107.96 177.15 4.9 Favored 'General case' 0 C--N 1.316 -0.874 0 CA-C-N 115.863 -0.608 . . . . 0.0 109.541 178.739 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 45.0 mt-30 -78.06 91.61 4.29 Favored 'General case' 0 C--N 1.322 -0.627 0 CA-C-O 120.999 0.428 . . . . 0.0 111.47 -176.765 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -98.0 -10.41 24.47 Favored 'General case' 0 C--N 1.323 -0.549 0 CA-C-N 115.753 -0.658 . . . . 0.0 111.165 178.816 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 22' ' ' TYR . . . . . 0.525 ' HB3' ' HD3' ' A' ' 23' ' ' PRO . 87.8 t80 -162.85 -53.15 0.01 OUTLIER Pre-proline 0 CA--C 1.539 0.528 0 N-CA-C 112.101 0.408 . . . . 0.0 112.101 177.101 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 23' ' ' PRO . . . . . 0.582 ' HB2' ' HA3' ' A' ' 27' ' ' GLY . 27.9 Cg_exo -65.07 148.66 89.51 Favored 'Trans proline' 0 C--N 1.354 0.828 0 C-N-CA 122.151 1.901 . . . . 0.0 112.783 -178.1 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -98.83 -109.42 2.93 Favored Glycine 0 CA--C 1.52 0.349 0 CA-C-N 116.178 -0.464 . . . . 0.0 113.266 -173.627 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 13.9 mm-40 -72.83 -43.14 63.04 Favored 'General case' 0 CA--C 1.517 -0.316 0 CA-C-O 120.837 0.351 . . . . 0.0 110.643 -175.975 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 26' ' ' LEU . . . . . 0.442 ' O ' HG13 ' A' ' 30' ' ' ILE . 51.1 tp -63.36 -34.4 77.64 Favored 'General case' 0 C--N 1.323 -0.574 0 N-CA-C 109.264 -0.643 . . . . 0.0 109.264 175.548 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 27' ' ' GLY . . . . . 0.582 ' HA3' ' HB2' ' A' ' 23' ' ' PRO . . . -59.2 -62.14 6.53 Favored Glycine 0 N--CA 1.446 -0.682 0 CA-C-N 115.195 -0.912 . . . . 0.0 112.79 179.012 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 7.0 ptpp? -57.16 -37.06 71.53 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-O 120.56 0.219 . . . . 0.0 111.038 -177.954 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 77.5 ttt180 -59.21 -45.14 91.89 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.895 0.379 . . . . 0.0 110.895 179.715 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 30' ' ' ILE . . . . . 0.442 HG13 ' O ' ' A' ' 26' ' ' LEU . 73.2 mt -72.23 -39.09 63.97 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.42 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.756 -179.286 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 31' ' ' TYR . . . . . . . . . . . . . 20.9 m-85 -63.84 -21.36 66.41 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.608 -0.269 . . . . 0.0 111.663 -179.992 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 32' ' ' ASN . . . . . . . . . . . . . 91.0 m-20 -84.15 -43.37 15.05 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 116.392 -0.367 . . . . 0.0 111.916 -178.882 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 33' ' ' GLU . . . . . 0.535 ' O ' ' HA ' ' A' ' 7' ' ' CYS . 40.0 mt-10 -112.47 -3.48 14.43 Favored 'General case' 0 C--N 1.326 -0.44 0 N-CA-C 112.544 0.572 . . . . 0.0 112.544 -168.356 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 34' ' ' ILE . . . . . 0.44 ' HA ' ' HG ' ' A' ' 7' ' ' CYS . 48.3 mm -120.24 136.58 56.82 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.696 0 CA-C-O 120.992 0.425 . . . . 0.0 110.408 178.379 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 9.3 t -99.28 167.98 10.32 Favored 'General case' 0 N--CA 1.444 -0.751 0 CA-C-N 115.887 -0.597 . . . . 0.0 110.283 -179.583 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 89.2 mttt -59.55 -31.27 69.27 Favored 'General case' 0 C--N 1.325 -0.48 0 CA-C-N 115.255 -0.884 . . . . 0.0 111.967 -176.001 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 36.4 t70 -63.12 -52.57 62.03 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.474 -0.33 . . . . 0.0 110.439 -178.74 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -66.87 -37.79 85.08 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.802 179.484 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 39' ' ' TRP . . . . . . . . . . . . . 76.8 t-105 -59.93 -52.12 66.75 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 115.832 -0.622 . . . . 0.0 110.947 179.026 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -69.73 -35.58 75.13 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-N 115.874 -0.603 . . . . 0.0 110.933 -179.356 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 24.3 tt0 -63.45 -54.37 37.54 Favored 'General case' 0 C--N 1.325 -0.459 0 CA-C-N 115.954 -0.566 . . . . 0.0 110.583 179.619 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 42' ' ' TRP . . . . . . . . . . . . . 33.1 t-105 -63.35 -48.28 78.6 Favored 'General case' 0 C--N 1.331 -0.203 0 CA-C-N 116.289 -0.414 . . . . 0.0 111.534 -175.207 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 43' ' ' GLN . . . . . . . . . . . . . 30.1 mt-30 -62.76 -43.99 97.36 Favored 'General case' 0 C--N 1.329 -0.293 0 C-N-CA 120.577 -0.449 . . . . 0.0 111.388 -177.276 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 44' ' ' HIS . . . . . . . . . . . . . 8.7 t-80 -66.91 -40.28 87.63 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-O 120.847 0.355 . . . . 0.0 110.321 -178.05 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 45' ' ' LYS . . . . . 0.451 ' O ' ' HG ' ' A' ' 49' ' ' LEU . 5.2 tmtm? -65.01 -47.7 76.55 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 115.943 -0.571 . . . . 0.0 109.587 177.759 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 46' ' ' GLN . . . . . . . . . . . . . 59.0 tp60 -61.87 -36.98 82.86 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 115.678 -0.692 . . . . 0.0 111.088 -179.993 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 85.4 m -57.55 -43.17 84.21 Favored 'General case' 0 C--N 1.331 -0.205 0 CA-C-O 120.838 0.351 . . . . 0.0 110.243 176.856 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 48' ' ' MET . . . . . . . . . . . . . 43.5 ttp -67.47 -34.88 78.07 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.05 -0.523 . . . . 0.0 110.656 178.128 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 49' ' ' LEU . . . . . 0.451 ' HG ' ' O ' ' A' ' 45' ' ' LYS . 75.2 mt -64.23 -48.81 74.37 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-O 121.168 0.509 . . . . 0.0 110.102 176.695 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 50' ' ' ILE . . . . . . . . . . . . . 86.0 mt -61.79 -36.92 76.58 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.394 0 CA-C-N 115.568 -0.742 . . . . 0.0 110.54 177.849 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 51' ' ' ASN . . . . . . . . . . . . . 3.4 t-20 -62.98 -44.03 97.17 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 115.77 -0.65 . . . . 0.0 110.842 -178.251 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 24.6 mm-40 -76.3 -40.67 50.97 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.047 -0.524 . . . . 0.0 111.707 -179.227 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 47.4 mttp -72.0 -28.46 63.42 Favored 'General case' 0 C--N 1.323 -0.561 0 CA-C-N 116.41 -0.359 . . . . 0.0 110.887 -179.624 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 96.0 mttt 56.25 43.56 26.33 Favored 'General case' 0 N--CA 1.462 0.162 0 CA-C-N 115.734 -0.666 . . . . 0.0 110.167 -179.765 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 4.2 pp -90.06 162.39 15.36 Favored 'General case' 0 N--CA 1.452 -0.348 0 CA-C-N 115.476 -0.784 . . . . 0.0 110.763 -177.964 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 56' ' ' ASN . . . . . . . . . . . . . 38.1 t-20 -121.13 141.4 50.85 Favored 'General case' 0 C--N 1.323 -0.565 0 N-CA-C 109.869 -0.419 . . . . 0.0 109.869 179.363 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 57' ' ' MET . . . . . . . . . . . . . 0.8 OUTLIER -81.01 8.39 8.59 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.242 -0.435 . . . . 0.0 111.087 178.923 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 58' ' ' MET . . . . . . . . . . . . . 55.9 ttm -58.85 -38.38 78.62 Favored 'General case' 0 C--N 1.326 -0.455 0 CA-C-N 116.314 -0.403 . . . . 0.0 110.956 178.352 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 59' ' ' ASN . . . . . 0.419 ' O ' ' HG3' ' A' ' 63' ' ' ARG . 3.4 m-20 -91.35 142.57 27.55 Favored 'General case' 0 C--N 1.324 -0.508 0 CA-C-N 116.367 -0.379 . . . . 0.0 110.886 -179.48 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -67.81 -25.19 65.45 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.991 -178.554 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 14.2 mt-10 -52.95 -51.41 61.54 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 115.446 -0.797 . . . . 0.0 111.035 177.515 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 62' ' ' HIS . . . . . . . . . . . . . 93.7 m-70 -76.85 -23.06 52.7 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.681 -177.166 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 63' ' ' ARG . . . . . 0.419 ' HG3' ' O ' ' A' ' 59' ' ' ASN . 99.2 mtt180 -66.51 -51.56 55.39 Favored 'General case' 0 C--O 1.232 0.179 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.642 178.788 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 16.2 pttp -68.79 -31.75 70.98 Favored 'General case' 0 C--N 1.332 -0.167 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.363 -178.161 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 58.2 tp -62.43 -45.52 92.7 Favored 'General case' 0 C--N 1.332 -0.183 0 CA-C-N 116.332 -0.395 . . . . 0.0 110.266 178.104 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 66.6 tp -59.25 -46.09 89.43 Favored 'General case' 0 N--CA 1.454 -0.271 0 CA-C-N 115.91 -0.586 . . . . 0.0 110.332 177.801 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 44.0 tt0 -61.31 -50.08 74.43 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 115.971 -0.559 . . . . 0.0 110.816 179.394 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 68' ' ' GLN . . . . . . . . . . . . . 88.0 mt-30 -59.81 -52.45 65.39 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-N 115.883 -0.599 . . . . 0.0 111.803 -179.176 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 19.8 mt-10 -66.23 -29.41 69.65 Favored 'General case' 0 C--N 1.332 -0.16 0 C-N-CA 121.003 -0.279 . . . . 0.0 111.244 -178.895 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 70' ' ' MET . . . . . . . . . . . . . 27.0 ttt -61.27 -51.48 68.75 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-O 120.955 0.407 . . . . 0.0 110.239 177.529 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 71' ' ' VAL . . . . . . . . . . . . . 59.2 t -65.87 -35.55 75.39 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.418 0 CA-C-N 115.897 -0.592 . . . . 0.0 110.581 178.657 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 72' ' ' SER . . . . . 0.481 ' O ' ' HA ' ' A' ' 76' ' ' GLU . 32.3 t -71.68 -17.91 62.21 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-N 116.051 -0.522 . . . . 0.0 111.626 -178.237 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 73' ' ' PHE . . . . . . . . . . . . . 56.1 t80 -99.69 -46.98 5.24 Favored 'General case' 0 C--N 1.324 -0.505 0 C-N-CA 120.804 -0.358 . . . . 0.0 111.235 -179.807 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 74' ' ' LEU . . . . . . . . . . . . . 95.1 mt -72.99 -48.6 35.0 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.407 -0.361 . . . . 0.0 111.307 -177.307 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 75' ' ' PHE . . . . . . . . . . . . . 97.5 m-85 -94.02 -37.44 11.65 Favored 'General case' 0 C--N 1.326 -0.455 0 CA-C-N 116.614 -0.266 . . . . 0.0 110.549 -178.992 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 76' ' ' GLU . . . . . 0.481 ' HA ' ' O ' ' A' ' 72' ' ' SER . 38.8 mt-10 72.28 -48.04 0.67 Allowed 'General case' 0 N--CA 1.47 0.525 0 C-N-CA 123.793 0.837 . . . . 0.0 112.227 177.856 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . -77.55 63.15 3.42 Favored Glycine 0 N--CA 1.45 -0.377 0 C-N-CA 121.398 -0.429 . . . . 0.0 112.849 -177.053 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 78' ' ' LYS . . . . . 0.49 ' HD2' ' O ' ' A' ' 78' ' ' LYS . 0.0 OUTLIER -103.2 158.75 16.1 Favored 'General case' 0 C--N 1.321 -0.64 0 O-C-N 122.692 -0.299 . . . . 0.0 110.256 176.718 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 79' ' ' ASP . . . . . . . . . . . . . 5.7 p-10 -111.45 4.6 19.01 Favored 'General case' 0 C--N 1.323 -0.569 0 N-CA-C 109.346 -0.613 . . . . 0.0 109.346 173.949 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 80' ' ' VAL . . . . . . . . . . . . . 47.9 t . . . . . 0 N--CA 1.448 -0.54 0 CA-C-N 115.398 -0.819 . . . . 0.0 109.938 177.819 . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' A' A ' 3' ' ' ARG . . . . . . . . . . . . . 8.5 tpm_? . . . . . 0 N--CA 1.452 -0.333 0 N-CA-C 109.169 -0.678 . . . . 0.0 109.169 . . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 49.9 p -105.81 151.1 24.92 Favored 'General case' 0 C--N 1.321 -0.632 0 CA-C-N 115.783 -0.644 . . . . 0.0 110.944 -178.71 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 5' ' ' ILE . . . . . 0.418 HG13 ' CA ' ' A' ' 16' ' ' GLY . 2.5 pp -138.54 172.87 13.21 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.543 0 CA-C-N 115.715 -0.675 . . . . 0.0 110.288 -179.782 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 6' ' ' PHE . . . . . . . . . . . . . 96.2 m-85 -91.52 98.73 11.85 Favored 'General case' 0 C--N 1.322 -0.587 0 CA-C-O 121.124 0.488 . . . . 0.0 109.714 175.735 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 53.8 t -71.57 137.46 48.05 Favored 'General case' 0 C--N 1.324 -0.511 0 CA-C-N 115.678 -0.692 . . . . 0.0 110.437 -177.509 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 1.8 p -64.63 -46.24 83.42 Favored 'General case' 0 C--N 1.323 -0.547 0 CA-C-N 116.338 -0.392 . . . . 0.0 111.329 179.96 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 9' ' ' TYR . . . . . . . . . . . . . 74.1 t80 -70.53 -31.57 68.7 Favored 'General case' 0 C--N 1.325 -0.467 0 CA-C-N 115.781 -0.645 . . . . 0.0 111.754 -176.158 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 85.4 mt -96.87 -23.34 16.4 Favored 'General case' 0 C--N 1.326 -0.419 0 C-N-CA 120.942 -0.303 . . . . 0.0 111.475 -176.656 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 29.4 mm-40 62.52 21.24 12.5 Favored 'General case' 0 N--CA 1.47 0.567 0 C-N-CA 122.865 0.466 . . . . 0.0 111.383 -179.467 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 94.2 mtt180 -135.57 169.69 17.13 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 116.06 -0.518 . . . . 0.0 111.008 -177.051 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 13' ' ' ASP . . . . . 0.4 ' HA ' ' O ' ' A' ' 5' ' ' ILE . 23.3 t70 -80.74 106.46 12.76 Favored 'General case' 0 C--N 1.323 -0.544 0 CA-C-N 115.364 -0.834 . . . . 0.0 109.645 174.961 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -134.63 179.35 6.35 Favored 'General case' 0 C--N 1.323 -0.553 0 CA-C-N 115.805 -0.634 . . . . 0.0 110.373 -175.611 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 15' ' ' GLU . . . . . 0.568 ' O ' ' HA ' ' A' ' 35' ' ' SER . 8.0 mm-40 -52.37 128.02 24.12 Favored 'General case' 0 C--N 1.331 -0.212 0 O-C-N 123.226 0.329 . . . . 0.0 111.06 179.729 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 16' ' ' GLY . . . . . 0.418 ' CA ' HG13 ' A' ' 5' ' ' ILE . . . -93.17 46.67 2.42 Favored Glycine 0 N--CA 1.443 -0.898 0 C-N-CA 120.854 -0.689 . . . . 0.0 111.971 -179.885 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 17' ' ' GLN . . . . . 0.53 HE21 ' CA ' ' A' ' 17' ' ' GLN . 0.0 OUTLIER 57.87 -152.75 0.39 Allowed 'General case' 0 N--CA 1.454 -0.273 0 O-C-N 124.037 0.493 . . . . 0.0 111.096 -179.822 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 18' ' ' ASP . . . . . 0.408 ' H ' ' HB3' ' A' ' 17' ' ' GLN . 4.8 m-20 -113.1 -167.9 1.25 Allowed 'General case' 0 C--N 1.323 -0.55 0 N-CA-C 109.504 -0.554 . . . . 0.0 109.504 178.563 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 96.2 m-85 -94.07 -176.14 3.91 Favored 'General case' 0 C--N 1.322 -0.624 0 CA-C-O 120.588 0.233 . . . . 0.0 110.682 -179.19 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 20' ' ' GLN . . . . . 0.5 ' HG3' ' O ' ' A' ' 23' ' ' PRO . 8.3 mp0 -61.41 96.34 0.06 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 121.152 0.501 . . . . 0.0 110.788 177.834 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -111.27 -3.22 15.42 Favored 'General case' 0 C--N 1.321 -0.642 0 CA-C-N 115.596 -0.729 . . . . 0.0 110.8 177.732 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 22' ' ' TYR . . . . . 0.516 ' HB3' ' HD3' ' A' ' 23' ' ' PRO . 91.9 t80 -174.04 -53.7 0.0 OUTLIER Pre-proline 0 CA--C 1.538 0.497 0 CA-C-N 115.611 -0.722 . . . . 0.0 110.802 179.408 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 23' ' ' PRO . . . . . 0.516 ' HD3' ' HB3' ' A' ' 22' ' ' TYR . 94.7 Cg_endo -86.0 145.64 8.77 Favored 'Trans proline' 0 C--N 1.354 0.834 0 C-N-CA 121.429 1.419 . . . . 0.0 112.094 178.539 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -103.44 -98.29 2.47 Favored Glycine 0 N--CA 1.446 -0.693 0 C-N-CA 120.95 -0.643 . . . . 0.0 112.498 -177.144 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 11.8 pt-20 -70.81 -39.32 73.13 Favored 'General case' 0 C--N 1.328 -0.359 0 N-CA-C 111.72 0.267 . . . . 0.0 111.72 -174.721 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 58.3 tp -69.6 -39.1 77.44 Favored 'General case' 0 C--N 1.326 -0.437 0 N-CA-C 109.361 -0.607 . . . . 0.0 109.361 178.236 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . -59.26 -54.3 39.04 Favored Glycine 0 N--CA 1.444 -0.771 0 CA-C-N 115.25 -0.886 . . . . 0.0 112.157 178.443 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 28' ' ' LYS . . . . . 0.475 ' HB3' HE22 ' A' ' 20' ' ' GLN . 18.3 ptpt -63.32 -34.35 77.5 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.748 0.274 . . . . 0.0 111.367 -176.532 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 79.8 ttt180 -61.29 -39.14 89.33 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.832 0.349 . . . . 0.0 110.392 -179.925 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 30' ' ' ILE . . . . . . . . . . . . . 57.9 mt -83.3 -45.5 18.76 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.522 0 CA-C-N 116.369 -0.378 . . . . 0.0 111.334 -179.226 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 31' ' ' TYR . . . . . . . . . . . . . 5.1 m-30 -56.83 -35.49 68.88 Favored 'General case' 0 N--CA 1.467 0.397 0 N-CA-C 112.525 0.565 . . . . 0.0 112.525 -175.5 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 32' ' ' ASN . . . . . . . . . . . . . 23.4 m-80 -71.89 -3.7 23.94 Favored 'General case' 0 C--N 1.329 -0.301 0 N-CA-C 112.181 0.437 . . . . 0.0 112.181 -176.755 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 38.7 mt-10 -139.45 11.3 2.53 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-O 120.662 0.268 . . . . 0.0 110.891 179.075 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 34' ' ' ILE . . . . . . . . . . . . . 13.5 mm -135.61 124.06 38.53 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.418 0 CA-C-O 121.203 0.525 . . . . 0.0 111.087 -178.556 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 35' ' ' SER . . . . . 0.568 ' HA ' ' O ' ' A' ' 15' ' ' GLU . 13.7 m -79.63 163.98 24.16 Favored 'General case' 0 C--N 1.322 -0.607 0 CA-C-N 115.592 -0.731 . . . . 0.0 110.803 178.113 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 87.9 mttt -59.95 -34.2 72.94 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.002 -0.545 . . . . 0.0 110.812 -177.066 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 35.3 m-20 -64.67 -47.09 79.71 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 115.947 -0.57 . . . . 0.0 110.745 -178.676 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -67.38 -39.72 85.66 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.046 -0.525 . . . . 0.0 110.806 -178.165 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 39' ' ' TRP . . . . . . . . . . . . . 59.4 t-105 -64.0 -50.59 67.93 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.062 -0.517 . . . . 0.0 110.654 178.892 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -64.02 -37.72 88.47 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 115.994 -0.548 . . . . 0.0 111.027 -178.011 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 24.7 tm0? -65.8 -49.75 67.15 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 115.899 -0.592 . . . . 0.0 110.873 -179.297 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 42' ' ' TRP . . . . . 0.466 ' NE1' ' HA ' ' A' ' 70' ' ' MET . 70.1 t-105 -67.48 -37.54 83.03 Favored 'General case' 0 C--N 1.329 -0.297 0 C-N-CA 120.65 -0.42 . . . . 0.0 111.123 -176.134 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 43' ' ' GLN . . . . . . . . . . . . . 51.8 mt-30 -64.32 -39.27 93.57 Favored 'General case' 0 C--N 1.328 -0.34 0 C-N-CA 120.567 -0.453 . . . . 0.0 110.605 176.381 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 44' ' ' HIS . . . . . . . . . . . . . 46.8 t-80 -63.08 -43.85 97.39 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 121.247 0.546 . . . . 0.0 109.539 177.181 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 17.1 tppt? -59.02 -54.72 43.89 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-N 115.318 -0.856 . . . . 0.0 110.809 177.009 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 46' ' ' GLN . . . . . 0.512 ' O ' HG13 ' A' ' 50' ' ' ILE . 54.1 tp60 -59.4 -39.77 84.47 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.009 -0.542 . . . . 0.0 111.143 -176.317 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 70.3 m -57.75 -42.42 83.9 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-O 120.845 0.355 . . . . 0.0 110.479 178.465 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 48' ' ' MET . . . . . . . . . . . . . 17.5 tmm? -63.55 -44.22 94.77 Favored 'General case' 0 C--N 1.332 -0.194 0 N-CA-C 109.877 -0.416 . . . . 0.0 109.877 177.37 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 9.9 mp -57.95 -43.14 86.23 Favored 'General case' 0 C--N 1.331 -0.239 0 CA-C-N 116.047 -0.524 . . . . 0.0 111.038 178.854 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 50' ' ' ILE . . . . . 0.512 HG13 ' O ' ' A' ' 46' ' ' GLN . 76.5 mt -59.12 -42.82 87.8 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.407 -0.36 . . . . 0.0 111.528 -179.096 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 51' ' ' ASN . . . . . . . . . . . . . 45.9 m-80 -73.17 -35.59 66.45 Favored 'General case' 0 N--CA 1.466 0.369 0 CA-C-O 120.824 0.345 . . . . 0.0 111.462 -178.376 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 7.1 mm-40 -77.78 -38.81 45.91 Favored 'General case' 0 C--N 1.321 -0.665 0 CA-C-O 120.946 0.403 . . . . 0.0 111.517 -177.858 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 67.6 mttm -80.07 -17.61 52.23 Favored 'General case' 0 C--N 1.321 -0.669 0 CA-C-N 116.266 -0.425 . . . . 0.0 110.633 178.702 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 96.5 mttt 57.65 59.93 3.03 Favored 'General case' 0 C--O 1.236 0.365 0 CA-C-N 115.627 -0.715 . . . . 0.0 110.769 -179.684 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 4.3 pp -115.15 139.03 50.25 Favored 'General case' 0 C--N 1.323 -0.574 0 CA-C-N 115.887 -0.597 . . . . 0.0 110.765 -178.98 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 56' ' ' ASN . . . . . . . . . . . . . 12.0 t30 -116.44 147.06 42.06 Favored 'General case' 0 C--N 1.321 -0.656 0 N-CA-C 109.421 -0.585 . . . . 0.0 109.421 176.757 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 57' ' ' MET . . . . . . . . . . . . . 24.3 mmt -77.66 73.28 4.23 Favored 'General case' 0 C--N 1.326 -0.455 0 CA-C-O 121.533 0.683 . . . . 0.0 110.951 -177.839 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 58' ' ' MET . . . . . . . . . . . . . 24.4 ptt? -130.03 -21.92 2.93 Favored 'General case' 0 C--N 1.321 -0.632 0 CA-C-N 115.211 -0.904 . . . . 0.0 110.006 176.866 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 59' ' ' ASN . . . . . . . . . . . . . 49.5 t-20 -118.44 129.0 55.14 Favored 'General case' 0 C--O 1.237 0.416 0 CA-C-N 115.646 -0.706 . . . . 0.0 109.166 178.606 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -61.85 -20.08 63.29 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.068 -0.514 . . . . 0.0 111.834 -177.421 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 61' ' ' GLU . . . . . 0.493 ' O ' ' HG2' ' A' ' 64' ' ' LYS . 22.0 mm-40 -55.23 -39.95 70.31 Favored 'General case' 0 C--N 1.332 -0.175 0 CA-C-O 120.874 0.369 . . . . 0.0 111.49 178.003 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 62' ' ' HIS . . . . . . . . . . . . . 98.4 m-70 -86.64 -20.22 28.16 Favored 'General case' 0 C--N 1.323 -0.555 0 C-N-CA 120.699 -0.4 . . . . 0.0 110.593 -177.83 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 63' ' ' ARG . . . . . . . . . . . . . 6.9 tpp180 -73.4 -42.74 61.75 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-N 116.097 -0.502 . . . . 0.0 109.821 174.507 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 64' ' ' LYS . . . . . 0.506 ' O ' ' HG3' ' A' ' 68' ' ' GLN . 54.7 pttt -65.92 -40.05 91.08 Favored 'General case' 0 C--O 1.225 -0.186 0 CA-C-N 116.44 -0.346 . . . . 0.0 110.235 179.383 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 1.3 mm? -60.58 -49.34 77.94 Favored 'General case' 0 C--O 1.233 0.215 0 CA-C-O 120.62 0.248 . . . . 0.0 110.763 177.52 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 7.7 tt -56.26 -44.08 79.37 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 115.998 -0.546 . . . . 0.0 110.463 177.878 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 33.1 tt0 -63.95 -46.65 83.76 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.741 -179.228 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 68' ' ' GLN . . . . . 0.506 ' HG3' ' O ' ' A' ' 64' ' ' LYS . 55.2 mt-30 -56.05 -51.94 66.04 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.033 -0.53 . . . . 0.0 111.251 179.75 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 41.6 mt-10 -68.47 -40.91 80.84 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 116.365 -0.38 . . . . 0.0 111.192 -177.507 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 70' ' ' MET . . . . . 0.466 ' HA ' ' NE1' ' A' ' 42' ' ' TRP . 52.9 ttm -61.88 -51.17 69.26 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.521 -0.309 . . . . 0.0 111.224 -179.381 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 71' ' ' VAL . . . . . . . . . . . . . 69.8 t -64.19 -34.79 71.16 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.396 0 CA-C-N 116.444 -0.344 . . . . 0.0 110.726 -179.665 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 8.3 t -67.96 -36.34 79.9 Favored 'General case' 0 C--N 1.324 -0.501 0 CA-C-O 120.589 0.233 . . . . 0.0 111.245 -178.027 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 73' ' ' PHE . . . . . . . . . . . . . 75.8 t80 -84.84 -56.88 3.35 Favored 'General case' 0 C--N 1.327 -0.37 0 C-N-CA 121.099 -0.24 . . . . 0.0 111.344 -177.428 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 74' ' ' LEU . . . . . . . . . . . . . 92.7 mt -71.44 -54.71 9.75 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-O 120.989 0.423 . . . . 0.0 111.572 -174.518 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 75' ' ' PHE . . . . . . . . . . . . . 78.0 t80 -78.34 -42.62 30.05 Favored 'General case' 0 C--N 1.321 -0.665 0 CA-C-N 116.277 -0.419 . . . . 0.0 110.382 -177.098 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 9.4 tp10 62.49 92.37 0.06 Allowed 'General case' 0 C--O 1.234 0.248 0 O-C-N 124.001 0.813 . . . . 0.0 110.846 -178.93 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . 141.33 51.22 0.04 OUTLIER Glycine 0 N--CA 1.445 -0.747 0 CA-C-N 115.505 -0.77 . . . . 0.0 112.281 -179.98 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 78' ' ' LYS . . . . . 0.594 ' HD2' ' O ' ' A' ' 78' ' ' LYS . 0.0 OUTLIER -92.23 145.94 24.1 Favored 'General case' 0 C--N 1.324 -0.502 0 CA-C-O 120.98 0.419 . . . . 0.0 110.736 177.967 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 79' ' ' ASP . . . . . . . . . . . . . 2.8 m-20 -95.33 -8.89 34.49 Favored 'General case' 0 C--N 1.322 -0.603 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.692 177.422 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 80' ' ' VAL . . . . . . . . . . . . . 20.1 t . . . . . 0 C--N 1.325 -0.495 0 CA-C-N 116.03 -0.532 . . . . 0.0 110.528 -178.558 . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' A' A ' 3' ' ' ARG . . . . . . . . . . . . . 14.0 tpp180 . . . . . 0 N--CA 1.453 -0.286 0 CA-C-O 121.175 0.512 . . . . 0.0 110.131 . . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 5.8 p -90.24 110.72 21.76 Favored 'General case' 0 C--N 1.32 -0.709 0 CA-C-N 115.597 -0.728 . . . . 0.0 110.995 -178.042 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 5' ' ' ILE . . . . . . . . . . . . . 27.6 pt -105.18 156.63 6.17 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.528 0 CA-C-N 116.019 -0.537 . . . . 0.0 110.154 178.136 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 6' ' ' PHE . . . . . . . . . . . . . 63.6 m-85 -109.03 93.7 4.65 Favored 'General case' 0 C--N 1.32 -0.703 0 N-CA-C 108.879 -0.785 . . . . 0.0 108.879 174.747 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 7' ' ' CYS . . . . . 0.526 ' HA ' ' O ' ' A' ' 33' ' ' GLU . 37.1 m -57.45 137.78 55.81 Favored 'General case' 0 C--N 1.325 -0.487 0 CA-C-N 115.699 -0.682 . . . . 0.0 110.818 -176.835 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 1.7 p -65.07 -40.66 95.0 Favored 'General case' 0 C--N 1.319 -0.723 0 CA-C-O 120.789 0.328 . . . . 0.0 111.063 -179.738 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 9' ' ' TYR . . . . . . . . . . . . . 45.3 t80 -71.98 -37.95 69.78 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 115.984 -0.553 . . . . 0.0 111.686 -178.722 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 10' ' ' LEU . . . . . 0.401 ' O ' ' HG3' ' A' ' 12' ' ' ARG . 93.2 mt -92.36 -33.75 14.46 Favored 'General case' 0 C--N 1.326 -0.437 0 C-N-CA 121.087 -0.245 . . . . 0.0 111.628 -174.902 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 80.9 mm-40 59.95 33.42 21.45 Favored 'General case' 0 N--CA 1.464 0.237 0 CA-C-O 121.476 0.655 . . . . 0.0 110.789 -177.056 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 12' ' ' ARG . . . . . 0.401 ' HG3' ' O ' ' A' ' 10' ' ' LEU . 43.7 mtt180 -135.55 173.45 11.7 Favored 'General case' 0 C--N 1.326 -0.434 0 N-CA-C 108.515 -0.92 . . . . 0.0 108.515 179.38 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 3.9 p-10 -82.38 129.26 34.84 Favored 'General case' 0 C--N 1.321 -0.643 0 CA-C-O 121.639 0.733 . . . . 0.0 110.238 179.366 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -140.23 179.73 6.47 Favored 'General case' 0 C--N 1.316 -0.86 0 CA-C-N 115.083 -0.962 . . . . 0.0 109.151 178.629 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 32.6 tt0 -98.24 128.0 44.47 Favored 'General case' 0 C--N 1.318 -0.77 0 N-CA-C 109.749 -0.463 . . . . 0.0 109.749 179.427 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . -61.8 145.69 48.98 Favored Glycine 0 N--CA 1.446 -0.676 0 C-N-CA 120.813 -0.708 . . . . 0.0 111.742 178.312 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 17' ' ' GLN . . . . . 0.446 ' HB3' ' HB3' ' A' ' 31' ' ' TYR . 14.1 tm0? -63.48 124.1 20.47 Favored 'General case' 0 C--N 1.321 -0.64 0 N-CA-C 109.419 -0.586 . . . . 0.0 109.419 -179.352 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 7.7 p-10 -83.09 116.83 22.48 Favored 'General case' 0 C--N 1.323 -0.556 0 CA-C-N 115.662 -0.699 . . . . 0.0 112.001 -172.92 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 86.3 m-85 70.19 115.83 0.04 OUTLIER 'General case' 0 N--CA 1.465 0.284 0 CA-C-N 114.638 -1.164 . . . . 0.0 112.651 173.566 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 53.0 mt-30 -56.59 112.56 1.31 Allowed 'General case' 0 N--CA 1.453 -0.282 0 CA-C-N 115.327 -0.851 . . . . 0.0 109.898 174.871 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 21' ' ' LEU . . . . . 0.533 ' H ' HD13 ' A' ' 21' ' ' LEU . 0.7 OUTLIER -74.1 -37.87 64.03 Favored 'General case' 0 C--N 1.321 -0.669 0 CA-C-N 115.846 -0.615 . . . . 0.0 110.803 -172.307 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 22' ' ' TYR . . . . . 0.485 ' HB3' ' HD3' ' A' ' 23' ' ' PRO . 70.2 t80 -160.88 -49.0 0.01 OUTLIER Pre-proline 0 C--N 1.325 -0.485 0 CA-C-N 116.103 -0.499 . . . . 0.0 111.52 -178.543 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 23' ' ' PRO . . . . . 0.485 ' HD3' ' HB3' ' A' ' 22' ' ' TYR . 21.4 Cg_exo -66.02 134.96 38.9 Favored 'Trans proline' 0 C--N 1.357 0.984 0 C-N-CA 121.571 1.514 . . . . 0.0 111.898 179.556 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -93.59 -95.22 1.52 Allowed Glycine 0 N--CA 1.448 -0.544 0 C-N-CA 120.899 -0.667 . . . . 0.0 112.351 -175.486 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 34.9 tt0 -57.65 -51.92 67.54 Favored 'General case' 0 C--N 1.323 -0.561 0 CA-C-O 120.899 0.381 . . . . 0.0 110.696 -178.215 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 54.6 tp -62.67 -36.97 84.62 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-N 115.854 -0.612 . . . . 0.0 110.264 178.243 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 27' ' ' GLY . . . . . 0.432 ' CA ' ' HB2' ' A' ' 23' ' ' PRO . . . -57.93 -64.29 4.48 Favored Glycine 0 N--CA 1.448 -0.52 0 CA-C-N 115.358 -0.837 . . . . 0.0 112.687 -177.537 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 61.5 pttt -66.64 -27.53 67.76 Favored 'General case' 0 C--N 1.327 -0.406 0 C-N-CA 121.051 -0.26 . . . . 0.0 111.079 -175.21 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 70.8 ttt180 -59.79 -36.99 77.85 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-O 120.941 0.401 . . . . 0.0 110.41 177.933 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 30' ' ' ILE . . . . . . . . . . . . . 62.8 mt -91.62 -47.97 14.0 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.378 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.154 179.727 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 31' ' ' TYR . . . . . 0.446 ' HB3' ' HB3' ' A' ' 17' ' ' GLN . 18.7 m-85 -63.44 -18.32 63.63 Favored 'General case' 0 N--CA 1.466 0.348 0 N-CA-C 113.19 0.811 . . . . 0.0 113.19 -172.567 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 32' ' ' ASN . . . . . . . . . . . . . 1.4 p30 -87.84 -11.43 47.89 Favored 'General case' 0 C--N 1.33 -0.282 0 C-N-CA 120.388 -0.525 . . . . 0.0 110.748 -179.548 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 33' ' ' GLU . . . . . 0.526 ' O ' ' HA ' ' A' ' 7' ' ' CYS . 43.6 mt-10 -130.27 10.5 5.33 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-O 120.909 0.385 . . . . 0.0 111.061 -178.749 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 34' ' ' ILE . . . . . 0.472 HD12 ' O ' ' A' ' 74' ' ' LEU . 6.5 mm -134.92 126.82 47.7 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-O 121.056 0.455 . . . . 0.0 110.466 178.755 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 35' ' ' SER . . . . . 0.442 ' HB2' ' SG ' ' A' ' 7' ' ' CYS . 32.9 t -70.19 155.67 40.31 Favored 'General case' 0 C--N 1.323 -0.555 0 CA-C-N 115.496 -0.774 . . . . 0.0 110.43 178.535 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 63.3 mttt -60.0 -34.32 73.18 Favored 'General case' 0 C--N 1.325 -0.471 0 CA-C-N 115.609 -0.723 . . . . 0.0 110.692 -178.31 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 4.7 p-10 -72.63 -39.84 66.91 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.613 -178.669 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -65.56 -40.11 92.44 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-O 121.002 0.429 . . . . 0.0 110.299 178.89 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 39' ' ' TRP . . . . . 0.439 ' O ' ' HG3' ' A' ' 43' ' ' GLN . 70.6 t-105 -61.93 -47.27 85.68 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 115.628 -0.715 . . . . 0.0 110.162 176.275 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -63.72 -42.3 97.95 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 115.885 -0.598 . . . . 0.0 111.655 -178.394 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 26.9 mm-40 -58.92 -41.42 87.26 Favored 'General case' 0 C--O 1.235 0.337 0 CA-C-N 116.231 -0.44 . . . . 0.0 111.284 179.759 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 42' ' ' TRP . . . . . . . . . . . . . 35.3 t-105 -67.4 -42.94 82.48 Favored 'General case' 0 C--N 1.328 -0.329 0 C-N-CA 120.742 -0.383 . . . . 0.0 110.969 179.353 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 43' ' ' GLN . . . . . 0.439 ' HG3' ' O ' ' A' ' 39' ' ' TRP . 37.4 mt-30 -59.37 -36.43 75.74 Favored 'General case' 0 C--N 1.331 -0.211 0 CA-C-O 120.819 0.342 . . . . 0.0 110.775 179.185 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 44' ' ' HIS . . . . . . . . . . . . . 23.3 t-80 -58.92 -51.15 71.25 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 115.863 -0.608 . . . . 0.0 110.404 177.921 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 18.1 tppt? -69.85 -38.19 76.39 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 115.964 -0.562 . . . . 0.0 111.12 -179.002 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 46' ' ' GLN . . . . . 0.441 ' O ' HG13 ' A' ' 50' ' ' ILE . 23.7 tp60 -61.85 -41.09 97.41 Favored 'General case' 0 C--N 1.325 -0.5 0 CA-C-O 120.792 0.33 . . . . 0.0 110.771 -179.625 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 33.4 m -68.18 -38.01 81.58 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.313 177.755 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 48' ' ' MET . . . . . . . . . . . . . 27.7 ttt -61.08 -41.22 96.24 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 116.089 -0.505 . . . . 0.0 110.064 176.333 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 4.9 mp -56.83 -40.35 75.89 Favored 'General case' 0 N--CA 1.462 0.174 0 CA-C-N 115.944 -0.571 . . . . 0.0 111.109 175.333 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 50' ' ' ILE . . . . . 0.441 HG13 ' O ' ' A' ' 46' ' ' GLN . 68.1 mt -67.23 -38.01 80.2 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.521 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.706 179.779 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 51' ' ' ASN . . . . . . . . . . . . . 92.8 m-20 -73.96 -40.68 62.85 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-N 116.13 -0.486 . . . . 0.0 111.266 -178.92 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 49.5 mt-10 -78.9 -52.6 8.06 Favored 'General case' 0 C--N 1.327 -0.398 0 N-CA-C 111.963 0.357 . . . . 0.0 111.963 -177.743 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 48.2 mttm -96.17 -14.06 23.06 Favored 'General case' 0 C--N 1.325 -0.494 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.64 -169.552 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 34.7 mmtp 54.05 52.13 13.35 Favored 'General case' 0 C--O 1.234 0.278 0 CA-C-O 121.24 0.543 . . . . 0.0 111.1 -179.163 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 55' ' ' LEU . . . . . 0.417 ' HB3' ' HD1' ' A' ' 62' ' ' HIS . 0.3 OUTLIER -87.56 77.67 8.71 Favored 'General case' 0 C--N 1.324 -0.541 0 CA-C-O 121.467 0.651 . . . . 0.0 110.962 178.67 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 56' ' ' ASN . . . . . . . . . . . . . 18.5 m120 -65.25 135.7 55.71 Favored 'General case' 0 C--N 1.324 -0.501 0 CA-C-N 115.404 -0.816 . . . . 0.0 109.933 177.099 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 57' ' ' MET . . . . . 0.498 ' SD ' ' HA ' ' A' ' 63' ' ' ARG . 21.2 mmt -78.78 6.43 9.02 Favored 'General case' 0 C--N 1.324 -0.512 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.204 -173.495 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 58' ' ' MET . . . . . . . . . . . . . 26.0 ptt? -64.74 -21.58 66.79 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-O 121.083 0.468 . . . . 0.0 109.98 174.639 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 59' ' ' ASN . . . . . . . . . . . . . 16.0 m120 -107.17 126.82 52.89 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-N 115.787 -0.642 . . . . 0.0 109.836 176.658 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -61.64 -24.76 66.93 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-O 120.834 0.349 . . . . 0.0 111.528 -176.271 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 24.1 mt-10 -64.35 -48.14 76.69 Favored 'General case' 0 C--N 1.322 -0.614 0 CA-C-O 121.419 0.628 . . . . 0.0 110.488 176.945 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 62' ' ' HIS . . . . . 0.43 ' O ' ' HB2' ' A' ' 65' ' ' LEU . 50.8 m-70 -76.99 -26.67 54.16 Favored 'General case' 0 C--N 1.321 -0.656 0 CA-C-O 121.176 0.512 . . . . 0.0 109.645 -179.591 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 63' ' ' ARG . . . . . 0.502 ' HD3' ' O ' ' A' ' 63' ' ' ARG . 1.9 tmt_? -72.66 -37.74 67.85 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 115.86 -0.609 . . . . 0.0 110.47 179.473 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 6.1 ptpp? -69.73 -27.73 65.21 Favored 'General case' 0 C--O 1.221 -0.423 0 C-N-CA 120.292 -0.563 . . . . 0.0 110.09 177.405 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 65' ' ' LEU . . . . . 0.43 ' HB2' ' O ' ' A' ' 62' ' ' HIS . 62.7 mt -56.0 -51.87 66.21 Favored 'General case' 0 C--O 1.234 0.273 0 CA-C-O 120.803 0.335 . . . . 0.0 110.205 171.921 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 32.6 tp -49.95 -49.2 51.02 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 115.393 -0.822 . . . . 0.0 111.188 174.133 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 8.1 tp10 -64.91 -55.82 16.99 Favored 'General case' 0 C--N 1.324 -0.513 0 CA-C-N 115.817 -0.628 . . . . 0.0 111.619 -176.46 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 68' ' ' GLN . . . . . . . . . . . . . 53.2 mt-30 -62.64 -53.28 56.99 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-N 115.893 -0.594 . . . . 0.0 111.736 -174.139 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 18.3 mt-10 -67.91 -28.25 67.33 Favored 'General case' 0 C--N 1.329 -0.297 0 C-N-CA 120.837 -0.345 . . . . 0.0 111.651 -174.982 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 70' ' ' MET . . . . . . . . . . . . . 18.3 tmm? -60.27 -53.23 60.14 Favored 'General case' 0 C--O 1.234 0.243 0 N-CA-C 110.131 -0.322 . . . . 0.0 110.131 176.077 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 71' ' ' VAL . . . . . . . . . . . . . 43.7 t -63.34 -33.76 63.14 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.425 179.696 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 26.9 m -70.17 -36.86 74.98 Favored 'General case' 0 C--N 1.324 -0.532 0 CA-C-N 115.732 -0.667 . . . . 0.0 111.823 -176.18 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 73' ' ' PHE . . . . . . . . . . . . . 80.2 t80 -85.3 -40.47 16.53 Favored 'General case' 0 C--N 1.325 -0.469 0 CA-C-O 120.686 0.279 . . . . 0.0 111.341 -177.04 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 74' ' ' LEU . . . . . 0.472 ' O ' HD12 ' A' ' 34' ' ' ILE . 93.6 mt -85.89 -46.55 10.49 Favored 'General case' 0 C--N 1.324 -0.501 0 N-CA-C 112.121 0.415 . . . . 0.0 112.121 -174.206 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 75' ' ' PHE . . . . . . . . . . . . . 41.3 t80 -100.05 -25.71 14.21 Favored 'General case' 0 C--N 1.324 -0.527 0 C-N-CA 120.832 -0.347 . . . . 0.0 111.083 -173.68 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 37.3 mt-10 62.23 23.07 13.6 Favored 'General case' 0 C--O 1.236 0.35 0 CA-C-N 115.913 -0.585 . . . . 0.0 111.633 179.257 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . -146.12 80.98 0.21 Allowed Glycine 0 N--CA 1.447 -0.61 0 C-N-CA 120.426 -0.892 . . . . 0.0 112.584 -178.3 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 78' ' ' LYS . . . . . 0.4 ' HD2' ' O ' ' A' ' 78' ' ' LYS . 1.8 pptp? -124.49 152.72 43.03 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-O 120.894 0.378 . . . . 0.0 110.404 175.066 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 79' ' ' ASP . . . . . . . . . . . . . 31.8 t70 -104.43 -11.19 17.21 Favored 'General case' 0 C--N 1.323 -0.551 0 CA-C-O 121.406 0.622 . . . . 0.0 110.306 179.12 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 80' ' ' VAL . . . . . . . . . . . . . 3.7 t . . . . . 0 C--N 1.326 -0.418 0 CA-C-N 116.057 -0.519 . . . . 0.0 110.189 -179.619 . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' A' A ' 3' ' ' ARG . . . . . . . . . . . . . 38.3 ttm180 . . . . . 0 N--CA 1.453 -0.301 0 N-CA-C 108.035 -1.098 . . . . 0.0 108.035 . . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 23.7 p -116.0 150.5 37.11 Favored 'General case' 0 N--CA 1.446 -0.669 0 CA-C-N 115.076 -0.965 . . . . 0.0 111.721 -170.653 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 5' ' ' ILE . . . . . . . . . . . . . 2.9 pp -131.15 152.38 37.37 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.818 0 CA-C-N 115.099 -0.955 . . . . 0.0 109.428 176.525 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 6' ' ' PHE . . . . . . . . . . . . . 54.5 t80 -78.67 107.93 11.71 Favored 'General case' 0 C--N 1.322 -0.612 0 N-CA-C 109.263 -0.643 . . . . 0.0 109.263 178.175 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 7' ' ' CYS . . . . . 0.441 ' HB2' ' HB2' ' A' ' 10' ' ' LEU . 44.5 m -70.79 127.51 32.88 Favored 'General case' 0 C--N 1.319 -0.739 0 CA-C-N 115.776 -0.647 . . . . 0.0 111.089 -176.374 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 10.0 p -66.9 -43.24 83.91 Favored 'General case' 0 C--N 1.322 -0.624 0 CA-C-O 121.231 0.538 . . . . 0.0 111.068 179.675 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 9' ' ' TYR . . . . . . . . . . . . . 76.3 t80 -81.85 -31.52 31.56 Favored 'General case' 0 C--N 1.324 -0.519 0 CA-C-N 115.921 -0.581 . . . . 0.0 111.895 -177.007 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 10' ' ' LEU . . . . . 0.441 ' HB2' ' HB2' ' A' ' 7' ' ' CYS . 90.3 mt -96.3 -21.7 17.66 Favored 'General case' 0 C--N 1.326 -0.425 0 C-N-CA 120.81 -0.356 . . . . 0.0 111.73 -175.413 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 32.1 mm-40 63.93 18.32 11.11 Favored 'General case' 0 N--CA 1.467 0.384 0 N-CA-C 112.23 0.456 . . . . 0.0 112.23 178.013 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 95.0 mtt180 -125.57 173.35 9.02 Favored 'General case' 0 C--N 1.325 -0.477 0 CA-C-O 120.754 0.312 . . . . 0.0 110.244 178.053 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 11.1 m-20 -91.59 110.85 22.18 Favored 'General case' 0 C--N 1.322 -0.603 0 CA-C-N 115.673 -0.694 . . . . 0.0 109.598 176.503 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 14' ' ' ALA . . . . . 0.419 ' HB2' ' SG ' ' A' ' 7' ' ' CYS . . . -130.75 163.73 26.66 Favored 'General case' 0 C--N 1.318 -0.795 0 CA-C-N 116.285 -0.416 . . . . 0.0 110.442 -179.036 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 43.7 tt0 -63.89 123.05 17.96 Favored 'General case' 0 C--N 1.322 -0.617 0 CA-C-N 116.125 -0.488 . . . . 0.0 110.617 -178.015 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . -65.1 149.38 51.71 Favored Glycine 0 N--CA 1.448 -0.558 0 CA-C-N 115.513 -0.767 . . . . 0.0 112.547 -177.282 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 17' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -72.14 97.74 2.0 Allowed 'General case' 0 C--N 1.323 -0.562 0 N-CA-C 109.327 -0.62 . . . . 0.0 109.327 179.216 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 18.4 t70 -90.03 4.16 51.04 Favored 'General case' 0 C--N 1.32 -0.698 0 CA-C-N 115.973 -0.558 . . . . 0.0 111.795 -170.007 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 98.5 m-85 -96.93 96.16 8.33 Favored 'General case' 0 C--N 1.322 -0.597 0 CA-C-N 116.231 -0.44 . . . . 0.0 111.426 -177.561 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 36.0 tt0 -96.56 114.71 26.39 Favored 'General case' 0 C--N 1.323 -0.566 0 N-CA-C 109.16 -0.681 . . . . 0.0 109.16 174.153 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -141.88 1.13 1.46 Allowed 'General case' 0 C--N 1.324 -0.515 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.825 -174.128 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 22' ' ' TYR . . . . . 0.526 ' HB3' ' HD3' ' A' ' 23' ' ' PRO . 9.3 t80 -148.79 -56.59 0.02 OUTLIER Pre-proline 0 C--N 1.325 -0.488 0 C-N-CA 121.046 -0.262 . . . . 0.0 111.193 -176.948 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 23' ' ' PRO . . . . . 0.526 ' HD3' ' HB3' ' A' ' 22' ' ' TYR . 19.7 Cg_endo -95.65 147.3 1.36 Allowed 'Trans proline' 0 C--N 1.354 0.824 0 C-N-CA 122.544 2.163 . . . . 0.0 112.915 -177.317 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -95.28 -103.68 1.93 Allowed Glycine 0 N--CA 1.451 -0.365 0 C-N-CA 120.871 -0.681 . . . . 0.0 112.74 -176.765 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 15.5 tp10 -65.3 -40.31 93.65 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-O 121.113 0.483 . . . . 0.0 110.084 -179.071 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 56.7 tp -64.86 -34.07 77.51 Favored 'General case' 0 C--N 1.325 -0.492 0 CA-C-N 115.959 -0.564 . . . . 0.0 109.566 174.944 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 27' ' ' GLY . . . . . 0.522 ' CA ' ' HB2' ' A' ' 23' ' ' PRO . . . -62.51 -57.71 15.37 Favored Glycine 0 N--CA 1.445 -0.715 0 CA-C-N 115.371 -0.831 . . . . 0.0 112.299 178.751 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 12.9 ptmm? -61.74 -25.29 67.36 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-O 120.398 0.142 . . . . 0.0 111.195 -179.04 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 29' ' ' ARG . . . . . 0.418 ' O ' ' HG3' ' A' ' 33' ' ' GLU . 11.6 ttp180 -65.35 -54.88 22.38 Favored 'General case' 0 C--N 1.331 -0.201 0 N-CA-C 109.487 -0.56 . . . . 0.0 109.487 174.874 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 30' ' ' ILE . . . . . . . . . . . . . 69.0 mt -63.87 -37.36 79.53 Favored 'Isoleucine or valine' 0 C--O 1.219 -0.534 0 CA-C-N 115.791 -0.64 . . . . 0.0 110.799 -178.858 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 31' ' ' TYR . . . . . . . . . . . . . 20.7 m-30 -65.05 -26.42 68.24 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-O 121.073 0.463 . . . . 0.0 111.014 177.838 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 32' ' ' ASN . . . . . . . . . . . . . 1.8 t30 -83.58 -22.17 32.4 Favored 'General case' 0 C--N 1.321 -0.658 0 CA-C-N 115.476 -0.784 . . . . 0.0 110.871 179.723 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 33' ' ' GLU . . . . . 0.419 ' O ' ' HA ' ' A' ' 7' ' ' CYS . 41.3 mt-10 -101.82 -24.21 14.08 Favored 'General case' 0 C--N 1.325 -0.49 0 CA-C-O 121.158 0.504 . . . . 0.0 110.945 -178.73 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 34' ' ' ILE . . . . . 0.418 HG21 ' HB3' ' A' ' 38' ' ' ALA . 19.3 mm -124.81 129.62 73.52 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.542 0 CA-C-O 121.315 0.579 . . . . 0.0 111.19 -176.619 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 8.1 p -82.61 171.14 14.38 Favored 'General case' 0 C--N 1.32 -0.681 0 CA-C-N 115.416 -0.811 . . . . 0.0 111.242 178.844 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 95.3 mttt -59.5 -30.46 68.58 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-N 115.985 -0.552 . . . . 0.0 110.955 178.53 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 15.3 m-20 -63.59 -58.22 7.63 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.732 -179.279 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 38' ' ' ALA . . . . . 0.418 ' HB3' HG21 ' A' ' 34' ' ' ILE . . . -66.44 -33.31 75.41 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 115.815 -0.629 . . . . 0.0 110.902 -179.013 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 39' ' ' TRP . . . . . . . . . . . . . 75.0 t-105 -58.8 -53.09 62.35 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 115.904 -0.589 . . . . 0.0 110.53 178.127 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -67.08 -42.73 84.17 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 115.921 -0.581 . . . . 0.0 110.87 179.865 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 55.8 tt0 -55.71 -51.52 67.02 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 115.734 -0.666 . . . . 0.0 111.208 179.838 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 42' ' ' TRP . . . . . 0.431 ' HE1' ' HA ' ' A' ' 70' ' ' MET . 39.7 t-105 -66.52 -47.65 72.26 Favored 'General case' 0 N--CA 1.452 -0.366 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.089 -177.481 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 43' ' ' GLN . . . . . . . . . . . . . 25.8 mt-30 -61.66 -42.22 98.61 Favored 'General case' 0 C--N 1.325 -0.465 0 N-CA-C 111.795 0.294 . . . . 0.0 111.795 -176.723 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 44' ' ' HIS . . . . . . . . . . . . . 7.4 t-80 -66.26 -40.19 89.97 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-O 120.92 0.391 . . . . 0.0 110.406 -177.126 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 45' ' ' LYS . . . . . 0.517 ' HD2' ' O ' ' A' ' 45' ' ' LYS . 2.1 tmmm? -73.1 -39.17 66.02 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.029 178.981 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 46' ' ' GLN . . . . . 0.586 ' O ' HG13 ' A' ' 50' ' ' ILE . 51.5 tp60 -65.16 -39.48 93.03 Favored 'General case' 0 C--N 1.324 -0.504 0 CA-C-N 116.333 -0.394 . . . . 0.0 110.527 -179.844 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 32.7 m -61.53 -38.02 85.89 Favored 'General case' 0 C--N 1.328 -0.342 0 N-CA-C 109.95 -0.389 . . . . 0.0 109.95 176.582 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 48' ' ' MET . . . . . 0.473 ' HB3' ' O ' ' A' ' 45' ' ' LYS . 37.0 ttm -57.44 -48.85 78.06 Favored 'General case' 0 C--N 1.332 -0.192 0 CA-C-N 115.93 -0.577 . . . . 0.0 109.89 173.809 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 49' ' ' LEU . . . . . 0.407 HD11 ' HE3' ' A' ' 45' ' ' LYS . 77.8 mt -62.55 -41.02 98.64 Favored 'General case' 0 C--O 1.221 -0.436 0 CA-C-N 115.715 -0.675 . . . . 0.0 111.111 179.415 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 50' ' ' ILE . . . . . 0.586 HG13 ' O ' ' A' ' 46' ' ' GLN . 88.4 mt -58.12 -37.6 62.95 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.431 0 CA-C-O 120.65 0.262 . . . . 0.0 110.694 179.533 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 51' ' ' ASN . . . . . . . . . . . . . 81.5 m-20 -66.42 -42.79 87.24 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.632 177.94 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 35.7 mt-10 -82.54 -34.82 27.72 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-N 115.957 -0.565 . . . . 0.0 111.754 -174.056 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 99.3 mttt -76.98 -19.23 57.57 Favored 'General case' 0 C--N 1.326 -0.414 0 N-CA-C 109.972 -0.381 . . . . 0.0 109.972 176.335 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 58.0 mtpt 58.81 42.44 19.9 Favored 'General case' 0 N--CA 1.465 0.29 0 CA-C-N 115.749 -0.659 . . . . 0.0 110.201 -179.813 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 69.6 mt -61.08 125.72 24.76 Favored 'General case' 0 C--O 1.234 0.24 0 CA-C-N 115.223 -0.898 . . . . 0.0 112.006 -175.132 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 56' ' ' ASN . . . . . . . . . . . . . 31.4 t30 -95.75 113.59 25.24 Favored 'General case' 0 C--N 1.324 -0.536 0 CA-C-N 115.289 -0.868 . . . . 0.0 109.922 174.37 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 57' ' ' MET . . . . . . . . . . . . . 1.1 mpt? -79.99 -2.38 43.78 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.515 -177.792 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 58' ' ' MET . . . . . . . . . . . . . 59.8 mtm -87.0 1.26 53.42 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-O 121.318 0.58 . . . . 0.0 110.005 177.255 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 59' ' ' ASN . . . . . . . . . . . . . 13.4 t-20 -123.73 134.86 53.61 Favored 'General case' 0 C--N 1.326 -0.443 0 CA-C-N 115.517 -0.765 . . . . 0.0 110.053 178.791 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -64.64 -34.08 77.45 Favored 'General case' 0 C--N 1.328 -0.364 0 N-CA-C 112.824 0.675 . . . . 0.0 112.824 -172.943 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 30.5 mm-40 -67.32 -36.98 82.56 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-O 120.619 0.247 . . . . 0.0 111.451 -174.082 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 62' ' ' HIS . . . . . . . . . . . . . 90.5 m-70 -81.65 -24.96 35.99 Favored 'General case' 0 C--N 1.325 -0.491 0 CA-C-O 121.196 0.522 . . . . 0.0 109.874 178.509 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 63' ' ' ARG . . . . . . . . . . . . . 44.8 tpt85 -70.76 -45.08 65.43 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 115.658 -0.701 . . . . 0.0 110.514 177.52 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 17.6 ptpt -67.74 -35.34 78.55 Favored 'General case' 0 C--N 1.332 -0.194 0 CA-C-N 116.266 -0.424 . . . . 0.0 110.047 178.605 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 66.4 tp -58.37 -40.55 82.59 Favored 'General case' 0 C--O 1.233 0.207 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.172 177.887 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 36.6 tp -58.58 -49.99 75.44 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 115.643 -0.708 . . . . 0.0 110.407 177.348 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 17.2 mm-40 -59.44 -44.21 92.98 Favored 'General case' 0 C--O 1.235 0.306 0 CA-C-O 121.371 0.605 . . . . 0.0 110.667 177.722 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 68' ' ' GLN . . . . . . . . . . . . . 23.4 mt-30 -54.07 -60.3 3.51 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-N 114.927 -1.033 . . . . 0.0 112.077 -177.513 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 17.9 pt-20 -74.49 -26.44 60.01 Favored 'General case' 0 C--N 1.328 -0.33 0 C-N-CA 120.413 -0.515 . . . . 0.0 111.483 -175.626 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 70' ' ' MET . . . . . 0.431 ' HA ' ' HE1' ' A' ' 42' ' ' TRP . 37.5 ttm -60.12 -57.53 12.45 Favored 'General case' 0 C--N 1.331 -0.209 0 CA-C-O 121.199 0.523 . . . . 0.0 110.948 177.422 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 71' ' ' VAL . . . . . . . . . . . . . 60.8 t -69.84 -30.49 44.68 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 CA-C-N 115.825 -0.625 . . . . 0.0 111.156 -177.035 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 13.3 t -68.32 -25.41 65.1 Favored 'General case' 0 C--N 1.323 -0.579 0 CA-C-O 120.642 0.258 . . . . 0.0 110.55 179.914 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 73' ' ' PHE . . . . . . . . . . . . . 59.7 t80 -89.25 -47.99 7.68 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-O 120.806 0.336 . . . . 0.0 110.63 177.861 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 74' ' ' LEU . . . . . . . . . . . . . 95.7 mt -74.96 -38.49 61.69 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.083 -0.508 . . . . 0.0 112.188 -174.571 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 75' ' ' PHE . . . . . 0.431 ' O ' ' HB2' ' A' ' 76' ' ' GLU . 88.3 t80 -104.6 -39.22 6.46 Favored 'General case' 0 C--N 1.326 -0.452 0 C-N-CA 121.197 -0.201 . . . . 0.0 111.433 -175.834 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 76' ' ' GLU . . . . . 0.431 ' HB2' ' O ' ' A' ' 75' ' ' PHE . 22.7 mm-40 68.73 90.13 0.1 Allowed 'General case' 0 C--O 1.236 0.36 0 O-C-N 123.724 0.64 . . . . 0.0 110.474 -176.202 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . 135.58 65.66 0.06 OUTLIER Glycine 0 N--CA 1.447 -0.602 0 C-N-CA 120.938 -0.649 . . . . 0.0 112.183 -179.097 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 11.9 mmmt -88.85 133.22 34.34 Favored 'General case' 0 C--N 1.324 -0.518 0 CA-C-O 121.145 0.498 . . . . 0.0 111.971 -179.919 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 79' ' ' ASP . . . . . . . . . . . . . 9.1 p-10 -64.19 -48.53 75.58 Favored 'General case' 0 C--N 1.325 -0.478 0 CA-C-N 115.206 -0.906 . . . . 0.0 110.03 174.187 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 80' ' ' VAL . . . . . . . . . . . . . 65.2 t . . . . . 0 C--N 1.329 -0.323 0 CA-C-N 115.791 -0.64 . . . . 0.0 110.145 176.401 . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' A' A ' 3' ' ' ARG . . . . . . . . . . . . . 45.8 ttt180 . . . . . 0 N--CA 1.454 -0.26 0 N-CA-C 109.926 -0.398 . . . . 0.0 109.926 . . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' A' A ' 4' ' ' THR . . . . . 0.507 ' HA ' ' O ' ' A' ' 14' ' ' ALA . 4.3 p -101.99 127.0 49.04 Favored 'General case' 0 C--N 1.322 -0.625 0 CA-C-O 120.953 0.406 . . . . 0.0 111.519 -179.523 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 5' ' ' ILE . . . . . . . . . . . . . 2.7 pp -118.4 179.91 1.72 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 CA-C-N 115.741 -0.663 . . . . 0.0 110.608 179.129 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 6' ' ' PHE . . . . . . . . . . . . . 85.3 m-85 -97.4 100.68 12.12 Favored 'General case' 0 C--N 1.323 -0.558 0 N-CA-C 109.766 -0.457 . . . . 0.0 109.766 177.878 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 51.3 t -77.16 138.99 39.8 Favored 'General case' 0 C--N 1.325 -0.495 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.703 -176.917 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 10.9 p -65.28 -46.84 78.84 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-N 115.78 -0.645 . . . . 0.0 112.222 -177.911 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 9' ' ' TYR . . . . . . . . . . . . . 42.3 t80 -78.97 -32.38 45.34 Favored 'General case' 0 C--N 1.323 -0.567 0 CA-C-N 116.255 -0.43 . . . . 0.0 111.097 -174.555 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 10.9 mp -86.32 -33.12 20.7 Favored 'General case' 0 C--N 1.327 -0.393 0 C-N-CA 120.865 -0.334 . . . . 0.0 111.341 -178.77 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 84.9 mm-40 58.71 41.16 22.35 Favored 'General case' 0 N--CA 1.462 0.158 0 CA-C-O 121.535 0.683 . . . . 0.0 110.526 -177.553 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 11.7 mtp180 -146.4 -179.25 6.62 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-N 115.227 -0.897 . . . . 0.0 111.002 -179.828 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 11.0 p-10 -72.59 109.93 6.59 Favored 'General case' 0 C--N 1.325 -0.467 0 CA-C-N 114.967 -1.015 . . . . 0.0 108.709 168.765 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 14' ' ' ALA . . . . . 0.507 ' O ' ' HA ' ' A' ' 4' ' ' THR . . . -132.17 180.0 5.77 Favored 'General case' 0 C--N 1.318 -0.799 0 CA-C-N 115.942 -0.572 . . . . 0.0 111.77 -170.813 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 10.3 mt-10 -71.83 136.36 46.98 Favored 'General case' 0 C--N 1.323 -0.548 0 CA-C-N 115.842 -0.617 . . . . 0.0 110.464 -176.507 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . -80.83 11.67 39.84 Favored Glycine 0 N--CA 1.45 -0.393 0 C-N-CA 120.856 -0.687 . . . . 0.0 112.501 176.659 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 17' ' ' GLN . . . . . 0.598 ' NE2' ' H ' ' A' ' 18' ' ' ASP . 0.0 OUTLIER 61.4 -174.18 0.13 Allowed 'General case' 0 CA--C 1.53 0.192 0 C-N-CA 123.007 0.523 . . . . 0.0 110.903 179.472 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 18' ' ' ASP . . . . . 0.598 ' H ' ' NE2' ' A' ' 17' ' ' GLN . 5.5 p-10 -97.68 165.99 11.7 Favored 'General case' 0 C--N 1.324 -0.52 0 N-CA-C 109.219 -0.66 . . . . 0.0 109.219 174.301 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 97.8 m-85 -88.52 -164.02 1.06 Allowed 'General case' 0 C--N 1.32 -0.699 0 N-CA-C 113.13 0.789 . . . . 0.0 113.13 -165.514 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 10.8 mm100 -64.76 103.56 0.71 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 114.931 -1.031 . . . . 0.0 111.259 -173.813 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -106.04 -18.7 13.95 Favored 'General case' 0 C--N 1.321 -0.638 0 CA-C-N 115.917 -0.583 . . . . 0.0 111.35 175.918 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 22' ' ' TYR . . . . . 0.48 ' H ' ' HD2' ' A' ' 23' ' ' PRO . 43.3 m-85 -151.52 -57.3 0.02 OUTLIER Pre-proline 0 CA--C 1.537 0.481 0 CA-C-N 115.957 -0.565 . . . . 0.0 111.794 -178.281 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 23' ' ' PRO . . . . . 0.48 ' HD2' ' H ' ' A' ' 22' ' ' TYR . 86.7 Cg_endo -78.65 174.06 12.81 Favored 'Trans proline' 0 C--N 1.359 1.124 0 C-N-CA 122.07 1.847 . . . . 0.0 113.273 -171.835 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -106.81 -128.78 6.08 Favored Glycine 0 N--CA 1.445 -0.763 0 CA-C-N 115.686 -0.688 . . . . 0.0 112.361 -179.176 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 25' ' ' GLU . . . . . 0.456 ' HA ' ' HE3' ' A' ' 28' ' ' LYS . 9.9 pt-20 -58.22 -38.44 76.82 Favored 'General case' 0 C--N 1.326 -0.439 0 N-CA-C 112.155 0.428 . . . . 0.0 112.155 -176.08 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 26' ' ' LEU . . . . . 0.528 ' O ' HG13 ' A' ' 30' ' ' ILE . 43.9 tp -67.75 -33.65 75.27 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-O 120.933 0.397 . . . . 0.0 110.147 -179.892 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . -66.31 -51.95 39.6 Favored Glycine 0 N--CA 1.448 -0.532 0 CA-C-N 115.805 -0.634 . . . . 0.0 112.623 -178.818 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 28' ' ' LYS . . . . . 0.456 ' HE3' ' HA ' ' A' ' 25' ' ' GLU . 22.6 pttp -65.67 -27.43 68.35 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-O 120.51 0.195 . . . . 0.0 110.926 -178.32 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 77.7 ttt180 -62.1 -44.81 95.85 Favored 'General case' 0 C--O 1.224 -0.243 0 N-CA-C 109.801 -0.444 . . . . 0.0 109.801 174.327 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 30' ' ' ILE . . . . . 0.528 HG13 ' O ' ' A' ' 26' ' ' LEU . 60.8 mt -64.84 -44.31 96.31 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 CA-C-N 116.279 -0.419 . . . . 0.0 110.896 179.873 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 31' ' ' TYR . . . . . . . . . . . . . 23.4 m-85 -67.58 -33.18 74.49 Favored 'General case' 0 C--N 1.324 -0.539 0 N-CA-C 112.708 0.633 . . . . 0.0 112.708 -173.236 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 32' ' ' ASN . . . . . . . . . . . . . 0.0 OUTLIER -90.42 0.72 57.17 Favored 'General case' 0 C--N 1.327 -0.374 0 C-N-CA 119.933 -0.707 . . . . 0.0 111.214 -178.673 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 8.8 mm-40 -109.54 -25.29 10.54 Favored 'General case' 0 C--N 1.331 -0.2 0 CA-C-O 121.245 0.545 . . . . 0.0 110.144 174.987 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 34' ' ' ILE . . . . . . . . . . . . . 26.2 mm -120.4 119.48 59.96 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.572 0 CA-C-O 121.394 0.616 . . . . 0.0 111.892 -173.686 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 35' ' ' SER . . . . . 0.4 ' CB ' ' HB2' ' A' ' 14' ' ' ALA . 5.8 t -70.76 152.85 43.35 Favored 'General case' 0 C--N 1.321 -0.647 0 CA-C-N 115.004 -0.998 . . . . 0.0 109.756 175.443 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 36' ' ' LYS . . . . . 0.507 ' HG2' ' OE1' ' A' ' 17' ' ' GLN . 53.7 mttm -55.05 -26.98 41.23 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-O 120.641 0.258 . . . . 0.0 110.817 174.568 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 37' ' ' ASP . . . . . 0.474 ' O ' ' HG3' ' A' ' 41' ' ' GLN . 29.0 t70 -53.06 -57.66 9.66 Favored 'General case' 0 C--N 1.325 -0.472 0 CA-C-N 115.993 -0.549 . . . . 0.0 110.747 173.891 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -76.35 -34.33 58.95 Favored 'General case' 0 C--N 1.326 -0.445 0 CA-C-N 115.918 -0.583 . . . . 0.0 110.941 -179.24 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 39' ' ' TRP . . . . . 0.435 ' HB3' ' HA ' ' A' ' 36' ' ' LYS . 77.0 t-105 -61.43 -47.61 84.94 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 120.807 0.336 . . . . 0.0 110.526 -179.966 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -63.13 -46.86 85.27 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 116.088 -0.505 . . . . 0.0 110.698 179.465 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 41' ' ' GLN . . . . . 0.474 ' HG3' ' O ' ' A' ' 37' ' ' ASP . 98.4 mt-30 -58.71 -49.27 78.21 Favored 'General case' 0 CA--C 1.519 -0.236 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.841 179.126 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 42' ' ' TRP . . . . . 0.427 ' HE1' ' HA ' ' A' ' 70' ' ' MET . 33.6 t-105 -65.26 -46.38 80.76 Favored 'General case' 0 C--O 1.221 -0.396 0 CA-C-N 116.478 -0.328 . . . . 0.0 111.259 -177.363 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 43' ' ' GLN . . . . . . . . . . . . . 74.4 mm-40 -62.88 -40.06 96.36 Favored 'General case' 0 C--N 1.323 -0.576 0 C-N-CA 120.973 -0.291 . . . . 0.0 111.125 179.528 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 44' ' ' HIS . . . . . . . . . . . . . 9.7 t60 -66.32 -43.26 86.68 Favored 'General case' 0 C--N 1.324 -0.506 0 CA-C-O 121.286 0.565 . . . . 0.0 110.123 179.103 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 25.5 tptp -67.3 -52.32 41.99 Favored 'General case' 0 C--N 1.323 -0.563 0 CA-C-N 115.217 -0.901 . . . . 0.0 110.55 -178.435 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 46' ' ' GLN . . . . . 0.481 ' O ' HG13 ' A' ' 50' ' ' ILE . 52.0 tp60 -61.13 -41.18 96.25 Favored 'General case' 0 C--N 1.323 -0.552 0 CA-C-N 115.652 -0.704 . . . . 0.0 111.098 -177.129 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 90.7 m -63.79 -34.12 77.2 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-O 120.872 0.367 . . . . 0.0 110.465 178.173 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 48' ' ' MET . . . . . . . . . . . . . 14.8 tpt -68.79 -41.43 78.76 Favored 'General case' 0 C--N 1.329 -0.313 0 N-CA-C 109.75 -0.463 . . . . 0.0 109.75 176.233 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 9.5 mp -60.93 -37.25 81.69 Favored 'General case' 0 C--N 1.332 -0.179 0 CA-C-N 115.867 -0.606 . . . . 0.0 110.355 174.926 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 50' ' ' ILE . . . . . 0.481 HG13 ' O ' ' A' ' 46' ' ' GLN . 81.3 mt -62.97 -30.89 50.71 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.389 0 CA-C-N 116.022 -0.535 . . . . 0.0 110.767 176.632 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 51' ' ' ASN . . . . . . . . . . . . . 94.4 m-20 -76.96 -36.76 56.28 Favored 'General case' 0 C--N 1.324 -0.527 0 CA-C-N 116.5 -0.318 . . . . 0.0 110.86 177.587 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 46.0 mt-10 -71.76 -50.81 26.65 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 121.06 0.457 . . . . 0.0 110.836 179.416 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 94.2 mttt -73.68 -21.51 60.23 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-N 115.857 -0.61 . . . . 0.0 110.405 179.434 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 42.8 mtmt 54.49 70.06 0.66 Allowed 'General case' 0 C--O 1.234 0.279 0 CA-C-N 115.415 -0.811 . . . . 0.0 110.099 -170.231 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 55' ' ' LEU . . . . . 0.407 ' HB2' HG21 ' A' ' 50' ' ' ILE . 76.8 mt -88.77 101.59 14.17 Favored 'General case' 0 C--N 1.326 -0.452 0 CA-C-N 115.366 -0.833 . . . . 0.0 110.347 -178.416 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 56' ' ' ASN . . . . . . . . . . . . . 46.6 t-20 -87.62 122.38 31.24 Favored 'General case' 0 C--N 1.318 -0.768 0 N-CA-C 108.956 -0.757 . . . . 0.0 108.956 175.987 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 57' ' ' MET . . . . . . . . . . . . . 25.7 mmt -79.16 19.94 0.53 Allowed 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.605 -175.739 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 58' ' ' MET . . . . . . . . . . . . . 27.2 ptt? -73.28 -24.38 60.43 Favored 'General case' 0 C--N 1.326 -0.448 0 CA-C-O 121.199 0.523 . . . . 0.0 109.615 173.722 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 59' ' ' ASN . . . . . . . . . . . . . 4.5 m-20 -116.2 138.04 51.62 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 115.603 -0.726 . . . . 0.0 110.247 178.062 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -65.35 -24.08 67.16 Favored 'General case' 0 C--N 1.326 -0.442 0 CA-C-N 115.927 -0.579 . . . . 0.0 111.249 -177.832 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 33.1 mt-10 -45.59 -53.39 9.18 Favored 'General case' 0 N--CA 1.465 0.316 0 O-C-N 123.664 0.603 . . . . 0.0 111.318 177.911 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 62' ' ' HIS . . . . . . . . . . . . . 78.2 m-70 -82.57 -19.98 37.46 Favored 'General case' 0 C--N 1.325 -0.478 0 CA-C-N 115.376 -0.829 . . . . 0.0 110.626 -172.623 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 63' ' ' ARG . . . . . . . . . . . . . 4.5 tmm_? -76.8 -32.01 57.35 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 116.057 -0.52 . . . . 0.0 109.758 178.661 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 7.7 mtpm? -77.31 -27.01 52.79 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.445 -0.343 . . . . 0.0 110.303 175.756 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 65' ' ' LEU . . . . . 0.492 ' O ' ' HG3' ' A' ' 69' ' ' GLU . 18.9 mt -58.87 -46.25 88.23 Favored 'General case' 0 C--N 1.329 -0.286 0 N-CA-C 109.591 -0.522 . . . . 0.0 109.591 170.373 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 52.0 tp -56.98 -43.61 81.84 Favored 'General case' 0 C--O 1.224 -0.282 0 CA-C-N 115.533 -0.758 . . . . 0.0 110.207 176.652 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 34.0 tt0 -56.07 -54.15 48.44 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 115.962 -0.563 . . . . 0.0 111.106 177.185 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 68' ' ' GLN . . . . . . . . . . . . . 28.4 mt-30 -59.09 -48.18 82.54 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 115.997 -0.547 . . . . 0.0 111.233 -177.878 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 69' ' ' GLU . . . . . 0.492 ' HG3' ' O ' ' A' ' 65' ' ' LEU . 29.8 mt-10 -66.53 -39.16 88.45 Favored 'General case' 0 C--O 1.235 0.341 0 CA-C-O 120.774 0.321 . . . . 0.0 110.479 -178.795 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 70' ' ' MET . . . . . 0.427 ' HA ' ' HE1' ' A' ' 42' ' ' TRP . 50.1 tpp -58.31 -57.21 13.89 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 115.996 -0.547 . . . . 0.0 111.023 178.797 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 71' ' ' VAL . . . . . . . . . . . . . 60.0 t -62.49 -31.99 53.75 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 115.959 -0.564 . . . . 0.0 110.382 -178.586 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 72' ' ' SER . . . . . 0.433 ' O ' ' HG2' ' A' ' 76' ' ' GLU . 32.5 t -65.1 -65.9 0.61 Allowed 'General case' 0 C--N 1.322 -0.604 0 CA-C-N 116.129 -0.487 . . . . 0.0 111.05 -179.347 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 73' ' ' PHE . . . . . . . . . . . . . 51.7 t80 -64.89 -36.76 85.39 Favored 'General case' 0 C--N 1.323 -0.55 0 N-CA-C 111.985 0.365 . . . . 0.0 111.985 -171.996 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 74' ' ' LEU . . . . . . . . . . . . . 78.0 mt -85.66 -35.18 21.07 Favored 'General case' 0 C--N 1.325 -0.462 0 N-CA-C 112.592 0.59 . . . . 0.0 112.592 -173.833 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 75' ' ' PHE . . . . . . . . . . . . . 96.3 m-85 -118.18 -43.89 2.72 Favored 'General case' 0 C--N 1.328 -0.329 0 N-CA-C 112.351 0.501 . . . . 0.0 112.351 -175.198 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 76' ' ' GLU . . . . . 0.433 ' HG2' ' O ' ' A' ' 72' ' ' SER . 19.3 mm-40 62.6 18.83 10.84 Favored 'General case' 0 N--CA 1.463 0.183 0 CA-C-O 121.21 0.528 . . . . 0.0 111.029 -171.476 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . -92.39 37.01 3.48 Favored Glycine 0 N--CA 1.445 -0.727 0 C-N-CA 120.839 -0.696 . . . . 0.0 112.128 -179.433 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -124.74 161.67 25.9 Favored 'General case' 0 C--N 1.322 -0.605 0 N-CA-C 110.295 -0.261 . . . . 0.0 110.295 178.281 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 79' ' ' ASP . . . . . . . . . . . . . 2.0 p-10 -111.6 3.57 18.03 Favored 'General case' 0 C--N 1.322 -0.615 0 N-CA-C 109.645 -0.502 . . . . 0.0 109.645 174.651 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 80' ' ' VAL . . . . . . . . . . . . . 45.7 t . . . . . 0 N--CA 1.45 -0.453 0 CA-C-N 115.42 -0.809 . . . . 0.0 110.351 -179.592 . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' A' A ' 3' ' ' ARG . . . . . . . . . . . . . 41.7 ttm180 . . . . . 0 C--O 1.234 0.288 0 N-CA-C 109.598 -0.519 . . . . 0.0 109.598 . . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -87.83 105.63 17.54 Favored 'General case' 0 C--N 1.321 -0.664 0 CA-C-O 121.505 0.669 . . . . 0.0 111.32 -177.826 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 5' ' ' ILE . . . . . . . . . . . . . 2.7 pp -106.34 151.59 8.28 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.699 0 CA-C-N 115.298 -0.865 . . . . 0.0 109.56 177.757 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 6' ' ' PHE . . . . . . . . . . . . . 70.7 m-85 -87.64 108.41 19.07 Favored 'General case' 0 C--N 1.316 -0.88 0 CA-C-O 121.147 0.498 . . . . 0.0 110.279 178.043 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 7' ' ' CYS . . . . . 0.434 ' HG ' ' HA ' ' A' ' 34' ' ' ILE . 54.0 t -69.23 141.91 54.34 Favored 'General case' 0 C--N 1.324 -0.531 0 CA-C-N 115.255 -0.884 . . . . 0.0 111.092 -175.964 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 2.6 p -66.89 -47.06 72.99 Favored 'General case' 0 C--N 1.321 -0.635 0 CA-C-N 115.91 -0.586 . . . . 0.0 111.606 -179.364 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 9' ' ' TYR . . . . . . . . . . . . . 64.8 t80 -69.26 -44.1 72.6 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.43 -178.801 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 10' ' ' LEU . . . . . 0.414 ' O ' ' HB2' ' A' ' 11' ' ' GLN . 89.5 mt -80.19 -34.48 37.42 Favored 'General case' 0 C--N 1.325 -0.469 0 CA-C-N 116.494 -0.321 . . . . 0.0 111.527 -175.675 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 11' ' ' GLN . . . . . 0.414 ' HB2' ' O ' ' A' ' 10' ' ' LEU . 32.0 mm-40 67.16 13.69 9.51 Favored 'General case' 0 N--CA 1.47 0.543 0 CA-C-O 121.74 0.781 . . . . 0.0 109.568 -171.586 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 11.8 tpp180 -119.73 157.9 27.61 Favored 'General case' 0 C--N 1.322 -0.593 0 CA-C-N 114.763 -1.108 . . . . 0.0 109.215 -176.509 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 6.8 p-10 -65.9 132.48 48.75 Favored 'General case' 0 C--N 1.323 -0.549 0 CA-C-O 121.036 0.445 . . . . 0.0 109.905 174.507 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -141.88 175.58 9.6 Favored 'General case' 0 C--N 1.317 -0.832 0 CA-C-N 115.668 -0.696 . . . . 0.0 109.516 179.766 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 10.8 pt-20 -94.01 145.34 24.73 Favored 'General case' 0 C--N 1.317 -0.815 0 C-N-CA 120.667 -0.413 . . . . 0.0 110.32 -179.405 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . -59.44 131.39 51.26 Favored Glycine 0 N--CA 1.448 -0.501 0 N-CA-C 110.502 -1.039 . . . . 0.0 110.502 170.753 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 17' ' ' GLN . . . . . 0.405 HE21 ' HB3' ' A' ' 17' ' ' GLN . 22.4 mt-30 -60.84 -93.11 0.0 OUTLIER 'General case' 0 C--N 1.327 -0.385 0 N-CA-C 113.035 0.754 . . . . 0.0 113.035 -172.378 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 4.5 m-20 -143.33 -173.03 3.82 Favored 'General case' 0 C--N 1.323 -0.561 0 CA-C-N 115.943 -0.571 . . . . 0.0 111.048 -170.692 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 80.1 m-85 -101.45 179.74 4.27 Favored 'General case' 0 C--N 1.322 -0.606 0 CA-C-N 115.324 -0.853 . . . . 0.0 110.018 -179.291 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 0.9 OUTLIER -67.89 99.27 0.82 Allowed 'General case' 0 C--N 1.323 -0.566 0 CA-C-N 116.42 -0.355 . . . . 0.0 110.809 -179.839 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 21' ' ' LEU . . . . . 0.479 ' H ' HD12 ' A' ' 21' ' ' LEU . 0.0 OUTLIER -102.05 -14.7 17.02 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 116.006 -0.543 . . . . 0.0 110.505 175.592 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 22' ' ' TYR . . . . . 0.535 ' HB3' ' HD3' ' A' ' 23' ' ' PRO . 66.8 t80 -169.28 -51.65 0.0 OUTLIER Pre-proline 0 CA--C 1.534 0.356 0 CA-C-N 115.746 -0.661 . . . . 0.0 111.031 177.503 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 23' ' ' PRO . . . . . 0.535 ' HD3' ' HB3' ' A' ' 22' ' ' TYR . 13.9 Cg_exo -71.27 142.1 40.69 Favored 'Trans proline' 0 C--N 1.357 1.0 0 C-N-CA 121.82 1.68 . . . . 0.0 111.666 179.622 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -86.09 -138.79 5.04 Favored Glycine 0 N--CA 1.447 -0.595 0 C-N-CA 120.793 -0.718 . . . . 0.0 112.791 -175.248 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 10.9 pt-20 -62.84 -30.89 71.85 Favored 'General case' 0 C--N 1.327 -0.382 0 N-CA-C 111.706 0.262 . . . . 0.0 111.706 -176.132 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 53.3 tp -63.05 -49.13 75.76 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-O 120.919 0.39 . . . . 0.0 110.258 178.799 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . -67.06 -38.48 92.55 Favored Glycine 0 N--CA 1.448 -0.556 0 C-N-CA 120.797 -0.716 . . . . 0.0 111.752 178.695 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 57.4 tttp -57.59 -46.6 83.82 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-O 121.062 0.458 . . . . 0.0 110.524 178.065 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 16.0 ttp180 -56.42 -45.9 80.5 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 115.744 -0.662 . . . . 0.0 109.664 178.187 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 30' ' ' ILE . . . . . . . . . . . . . 75.7 mt -63.52 -33.36 61.01 Favored 'Isoleucine or valine' 0 C--O 1.224 -0.288 0 CA-C-N 115.584 -0.734 . . . . 0.0 111.332 179.945 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 31' ' ' TYR . . . . . . . . . . . . . 23.0 m-30 -68.27 -17.78 64.37 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-O 120.747 0.308 . . . . 0.0 110.974 178.552 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 32' ' ' ASN . . . . . . . . . . . . . 45.8 m-80 -90.51 -0.65 57.75 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-N 116.363 -0.381 . . . . 0.0 111.333 174.023 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 33' ' ' GLU . . . . . 0.407 ' O ' ' HA ' ' A' ' 7' ' ' CYS . 27.2 mt-10 -122.07 -35.0 3.23 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-O 121.204 0.526 . . . . 0.0 111.314 -177.089 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 34' ' ' ILE . . . . . 0.434 ' HA ' ' HG ' ' A' ' 7' ' ' CYS . 30.1 mm -115.07 148.39 17.83 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.835 0 CA-C-N 115.961 -0.563 . . . . 0.0 110.038 -177.934 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 8.6 t -108.12 173.35 6.36 Favored 'General case' 0 N--CA 1.445 -0.686 0 CA-C-O 120.906 0.384 . . . . 0.0 110.107 175.647 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 84.0 mttt -55.84 -35.47 66.45 Favored 'General case' 0 C--N 1.323 -0.546 0 CA-C-N 115.252 -0.886 . . . . 0.0 112.856 -172.141 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 37' ' ' ASP . . . . . 0.518 ' O ' ' HG2' ' A' ' 41' ' ' GLN . 14.9 t70 -66.21 -59.93 3.28 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-O 120.674 0.273 . . . . 0.0 110.638 -177.809 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -60.58 -37.12 80.31 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.021 -0.536 . . . . 0.0 110.937 -179.366 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 39' ' ' TRP . . . . . 0.56 ' O ' ' HG3' ' A' ' 43' ' ' GLN . 72.8 t-105 -60.0 -53.26 59.89 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-N 115.793 -0.639 . . . . 0.0 110.47 178.068 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -64.57 -39.31 93.51 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-N 116.079 -0.51 . . . . 0.0 111.382 -178.923 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 41' ' ' GLN . . . . . 0.518 ' HG2' ' O ' ' A' ' 37' ' ' ASP . 25.9 mm-40 -67.13 -41.58 85.9 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.369 -0.378 . . . . 0.0 111.168 -177.842 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 42' ' ' TRP . . . . . 0.436 ' HE1' ' HA ' ' A' ' 70' ' ' MET . 35.0 t-105 -68.07 -40.86 82.62 Favored 'General case' 0 C--N 1.327 -0.395 0 C-N-CA 120.736 -0.385 . . . . 0.0 110.926 -178.84 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 43' ' ' GLN . . . . . 0.56 ' HG3' ' O ' ' A' ' 39' ' ' TRP . 38.7 mt-30 -63.49 -42.03 98.54 Favored 'General case' 0 C--N 1.328 -0.358 0 C-N-CA 120.723 -0.391 . . . . 0.0 109.996 178.354 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 44' ' ' HIS . . . . . . . . . . . . . 28.7 t-80 -56.5 -50.47 71.71 Favored 'General case' 0 C--N 1.326 -0.456 0 CA-C-N 115.733 -0.667 . . . . 0.0 110.277 177.975 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 45' ' ' LYS . . . . . 0.506 ' O ' ' HG ' ' A' ' 49' ' ' LEU . 57.8 tptt -63.66 -52.79 59.17 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-N 115.484 -0.78 . . . . 0.0 111.142 179.646 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 46' ' ' GLN . . . . . 0.58 ' O ' HG13 ' A' ' 50' ' ' ILE . 57.5 tp60 -59.96 -41.8 92.69 Favored 'General case' 0 C--N 1.325 -0.465 0 CA-C-N 115.983 -0.553 . . . . 0.0 111.498 -176.186 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 44.5 m -63.42 -38.56 91.61 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 120.746 0.308 . . . . 0.0 111.065 179.867 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 48' ' ' MET . . . . . . . . . . . . . 53.2 tpp -64.95 -37.73 88.62 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 121.229 0.538 . . . . 0.0 109.724 176.41 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 49' ' ' LEU . . . . . 0.506 ' HG ' ' O ' ' A' ' 45' ' ' LYS . 88.0 mt -68.6 -33.37 73.93 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 115.732 -0.667 . . . . 0.0 110.605 178.3 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 50' ' ' ILE . . . . . 0.58 HG13 ' O ' ' A' ' 46' ' ' GLN . 88.0 mt -62.79 -34.73 67.4 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 CA-C-O 120.93 0.395 . . . . 0.0 110.58 177.06 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 51' ' ' ASN . . . . . . . . . . . . . 90.7 m-20 -64.5 -39.43 93.77 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 115.979 -0.555 . . . . 0.0 110.49 177.867 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 5.9 mm-40 -82.9 -38.61 22.65 Favored 'General case' 0 C--N 1.325 -0.461 0 CA-C-N 115.54 -0.755 . . . . 0.0 111.686 -176.892 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 94.2 mttt -74.86 -25.69 59.15 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-N 116.623 -0.262 . . . . 0.0 110.664 179.051 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 38.1 mtmt 58.16 38.65 26.39 Favored 'General case' 0 C--O 1.234 0.249 0 CA-C-O 121.609 0.719 . . . . 0.0 110.334 -179.078 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 4.6 pp -85.01 141.28 30.42 Favored 'General case' 0 N--CA 1.448 -0.528 0 CA-C-N 115.072 -0.967 . . . . 0.0 110.082 -179.783 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 56' ' ' ASN . . . . . . . . . . . . . 51.0 m-80 -117.48 146.33 43.58 Favored 'General case' 0 C--N 1.32 -0.687 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.183 178.052 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 57' ' ' MET . . . . . . . . . . . . . 1.7 mpt? -77.5 -8.32 57.61 Favored 'General case' 0 C--N 1.325 -0.477 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.447 -179.026 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 58' ' ' MET . . . . . . . . . . . . . 65.9 mtm -66.49 -28.74 68.81 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-N 115.78 -0.645 . . . . 0.0 109.766 173.388 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 59' ' ' ASN . . . . . . . . . . . . . 16.6 m120 -86.18 118.57 25.72 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-N 115.547 -0.752 . . . . 0.0 110.128 178.971 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 60' ' ' ALA . . . . . 0.434 ' O ' ' HG2' ' A' ' 64' ' ' LYS . . . -54.17 -37.15 64.13 Favored 'General case' 0 C--N 1.329 -0.308 0 O-C-N 123.386 0.429 . . . . 0.0 110.759 178.771 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 61' ' ' GLU . . . . . 0.481 ' O ' ' HB2' ' A' ' 65' ' ' LEU . 34.0 tt0 -56.37 -48.18 77.36 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 115.382 -0.826 . . . . 0.0 111.808 178.072 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 62' ' ' HIS . . . . . . . . . . . . . 92.7 m-70 -82.45 -33.05 28.67 Favored 'General case' 0 C--N 1.325 -0.464 0 N-CA-C 112.41 0.522 . . . . 0.0 112.41 -169.332 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 63' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -64.3 -45.14 89.26 Favored 'General case' 0 C--N 1.328 -0.349 0 C-N-CA 120.457 -0.497 . . . . 0.0 111.063 179.687 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 64' ' ' LYS . . . . . 0.508 ' O ' ' HG3' ' A' ' 68' ' ' GLN . 64.4 pttt -74.41 -28.14 60.94 Favored 'General case' 0 C--N 1.329 -0.294 0 C-N-CA 120.7 -0.4 . . . . 0.0 110.206 178.97 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 65' ' ' LEU . . . . . 0.481 ' HB2' ' O ' ' A' ' 61' ' ' GLU . 0.9 OUTLIER -63.29 -45.49 91.16 Favored 'General case' 0 C--N 1.331 -0.232 0 N-CA-C 108.954 -0.758 . . . . 0.0 108.954 176.786 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 8.1 tt -62.43 -40.01 95.17 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 115.677 -0.692 . . . . 0.0 109.858 177.581 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 30.8 tt0 -57.67 -47.94 80.89 Favored 'General case' 0 C--O 1.233 0.234 0 CA-C-N 115.862 -0.608 . . . . 0.0 109.916 175.487 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 68' ' ' GLN . . . . . 0.508 ' HG3' ' O ' ' A' ' 64' ' ' LYS . 27.7 mt-30 -58.73 -45.03 90.53 Favored 'General case' 0 N--CA 1.453 -0.323 0 CA-C-N 115.696 -0.684 . . . . 0.0 110.774 177.789 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 16.8 mt-10 -58.6 -46.88 86.07 Favored 'General case' 0 N--CA 1.463 0.191 0 CA-C-O 120.716 0.293 . . . . 0.0 110.855 179.109 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 70' ' ' MET . . . . . 0.436 ' HA ' ' HE1' ' A' ' 42' ' ' TRP . 38.2 mtt -59.28 -52.69 64.57 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.429 -0.35 . . . . 0.0 111.166 178.877 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 71' ' ' VAL . . . . . 0.433 ' O ' ' HB3' ' A' ' 75' ' ' PHE . 61.6 t -68.93 -21.12 25.36 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.509 0 CA-C-N 116.524 -0.307 . . . . 0.0 111.602 -175.964 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 72' ' ' SER . . . . . 0.43 ' O ' ' HA ' ' A' ' 76' ' ' GLU . 42.4 m -86.34 -19.29 30.01 Favored 'General case' 0 C--N 1.324 -0.527 0 O-C-N 121.875 -0.516 . . . . 0.0 111.422 179.288 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 73' ' ' PHE . . . . . . . . . . . . . 54.7 t80 -100.26 -51.6 3.61 Favored 'General case' 0 C--N 1.325 -0.494 0 CA-C-O 121.029 0.442 . . . . 0.0 110.58 178.521 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 74' ' ' LEU . . . . . . . . . . . . . 94.9 mt -73.94 -31.7 63.17 Favored 'General case' 0 C--N 1.327 -0.413 0 CA-C-N 115.896 -0.593 . . . . 0.0 111.414 -175.917 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 75' ' ' PHE . . . . . 0.536 ' O ' ' HG2' ' A' ' 76' ' ' GLU . 68.0 t80 -112.52 -43.35 3.5 Favored 'General case' 0 C--N 1.326 -0.414 0 N-CA-C 110.268 -0.271 . . . . 0.0 110.268 -178.599 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 76' ' ' GLU . . . . . 0.536 ' HG2' ' O ' ' A' ' 75' ' ' PHE . 2.6 pt-20 73.11 -28.48 0.19 Allowed 'General case' 0 N--CA 1.477 0.908 0 C-N-CA 124.945 1.298 . . . . 0.0 112.815 173.262 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . -90.14 49.74 3.3 Favored Glycine 0 N--CA 1.447 -0.619 0 C-N-CA 120.711 -0.756 . . . . 0.0 113.319 -176.79 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 78' ' ' LYS . . . . . 0.42 ' HE2' ' HB ' ' A' ' 71' ' ' VAL . 0.0 OUTLIER -118.32 145.58 44.99 Favored 'General case' 0 C--N 1.327 -0.393 0 N-CA-C 109.565 -0.532 . . . . 0.0 109.565 176.263 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 79' ' ' ASP . . . . . . . . . . . . . 16.9 p-10 -96.04 -10.35 28.68 Favored 'General case' 0 C--N 1.324 -0.516 0 N-CA-C 112.111 0.412 . . . . 0.0 112.111 -172.279 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 80' ' ' VAL . . . . . . . . . . . . . 60.7 t . . . . . 0 C--N 1.326 -0.433 0 N-CA-C 109.729 -0.471 . . . . 0.0 109.729 176.332 . . . . . . . . 0 0 . 1 . 009 nuclear orig core ' A' A ' 3' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.453 -0.279 0 N-CA-C 109.907 -0.405 . . . . 0.0 109.907 . . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 16.9 p -99.78 139.26 35.7 Favored 'General case' 0 C--N 1.321 -0.654 0 CA-C-O 121.071 0.462 . . . . 0.0 111.361 179.922 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 5' ' ' ILE . . . . . . . . . . . . . 43.6 pt -129.31 157.27 42.11 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.576 0 CA-C-N 115.914 -0.585 . . . . 0.0 110.245 -179.474 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 6' ' ' PHE . . . . . . . . . . . . . 88.7 m-85 -85.23 94.56 8.93 Favored 'General case' 0 C--N 1.321 -0.658 0 N-CA-C 109.522 -0.547 . . . . 0.0 109.522 173.293 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 7' ' ' CYS . . . . . 0.558 ' HA ' ' O ' ' A' ' 33' ' ' GLU . 42.1 t -68.59 123.93 22.22 Favored 'General case' 0 C--N 1.322 -0.59 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.215 -178.04 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 5.4 p -55.53 -44.28 76.55 Favored 'General case' 0 C--N 1.325 -0.499 0 CA-C-N 116.029 -0.532 . . . . 0.0 111.948 -178.022 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 9' ' ' TYR . . . . . . . . . . . . . 74.3 t80 -71.81 -31.79 66.93 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-N 115.942 -0.572 . . . . 0.0 111.577 -175.877 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 91.5 mt -94.34 -26.87 16.38 Favored 'General case' 0 C--N 1.328 -0.363 0 C-N-CA 121.002 -0.279 . . . . 0.0 111.533 -175.982 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 28.7 mm-40 66.77 16.99 10.51 Favored 'General case' 0 N--CA 1.466 0.373 0 C-N-CA 123.115 0.566 . . . . 0.0 111.659 179.79 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 59.4 mtp180 -139.5 -179.24 5.79 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.724 -0.216 . . . . 0.0 110.6 -179.8 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 7.9 m-20 -68.11 116.52 8.82 Favored 'General case' 0 C--O 1.233 0.197 0 CA-C-N 115.934 -0.575 . . . . 0.0 110.753 178.176 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -123.72 179.55 4.75 Favored 'General case' 0 C--N 1.317 -0.828 0 N-CA-C 109.127 -0.694 . . . . 0.0 109.127 175.709 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 13.1 pt-20 -96.27 140.51 30.85 Favored 'General case' 0 C--N 1.32 -0.713 0 C-N-CA 120.198 -0.601 . . . . 0.0 110.209 179.366 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . -63.8 142.13 46.19 Favored Glycine 0 N--CA 1.446 -0.695 0 C-N-CA 120.877 -0.678 . . . . 0.0 111.751 179.296 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 17' ' ' GLN . . . . . . . . . . . . . 0.6 OUTLIER -70.24 -167.89 0.19 Allowed 'General case' 0 C--N 1.325 -0.475 0 CA-C-O 121.22 0.534 . . . . 0.0 111.657 -179.114 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 1.1 t70 -76.57 -168.78 1.06 Allowed 'General case' 0 C--N 1.321 -0.645 0 CA-C-N 115.556 -0.747 . . . . 0.0 111.391 -174.35 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 99.0 m-85 -95.96 -177.05 3.89 Favored 'General case' 0 C--N 1.32 -0.676 0 CA-C-N 115.792 -0.64 . . . . 0.0 110.288 -179.254 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 8.8 mm100 -79.05 88.12 4.81 Favored 'General case' 0 C--N 1.324 -0.5 0 CA-C-O 121.223 0.535 . . . . 0.0 110.653 -177.556 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -85.27 -18.94 32.43 Favored 'General case' 0 C--N 1.323 -0.581 0 CA-C-N 115.424 -0.807 . . . . 0.0 111.235 178.338 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 22' ' ' TYR . . . . . 0.492 ' HB3' ' HD3' ' A' ' 23' ' ' PRO . 87.3 t80 -154.51 -53.08 0.02 OUTLIER Pre-proline 0 CA--C 1.537 0.48 0 N-CA-C 112.267 0.469 . . . . 0.0 112.267 -179.695 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 23' ' ' PRO . . . . . 0.492 ' HD3' ' HB3' ' A' ' 22' ' ' TYR . 12.2 Cg_exo -72.21 162.59 41.22 Favored 'Trans proline' 0 C--N 1.354 0.843 0 C-N-CA 122.02 1.813 . . . . 0.0 112.477 -176.54 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -101.52 -133.24 8.03 Favored Glycine 0 N--CA 1.446 -0.678 0 C-N-CA 120.696 -0.764 . . . . 0.0 112.277 -179.469 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 8.0 mp0 -59.48 -45.79 90.63 Favored 'General case' 0 C--N 1.327 -0.397 0 C-N-CA 122.698 0.399 . . . . 0.0 111.544 -175.79 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 60.2 tp -63.18 -46.42 87.19 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-N 115.982 -0.554 . . . . 0.0 110.951 -177.479 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 27' ' ' GLY . . . . . 0.455 ' HA3' ' HB2' ' A' ' 23' ' ' PRO . . . -67.12 -34.13 85.39 Favored Glycine 0 N--CA 1.45 -0.41 0 C-N-CA 120.616 -0.802 . . . . 0.0 111.792 -179.864 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 38.7 ttpt -62.14 -43.1 99.57 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-O 120.881 0.372 . . . . 0.0 110.022 177.198 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 19.5 ttp180 -55.09 -45.51 75.44 Favored 'General case' 0 C--N 1.333 -0.143 0 CA-C-N 115.866 -0.606 . . . . 0.0 109.866 178.328 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 30' ' ' ILE . . . . . . . . . . . . . 45.4 mt -61.15 -39.57 82.86 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.249 0 CA-C-N 115.842 -0.617 . . . . 0.0 110.751 179.013 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 31' ' ' TYR . . . . . . . . . . . . . 21.7 m-85 -74.8 -8.82 57.6 Favored 'General case' 0 C--N 1.325 -0.459 0 CA-C-O 120.76 0.314 . . . . 0.0 111.323 -179.95 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 32' ' ' ASN . . . . . . . . . . . . . 1.0 OUTLIER -94.48 -24.31 17.35 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.366 -0.379 . . . . 0.0 110.831 176.074 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 33' ' ' GLU . . . . . 0.558 ' O ' ' HA ' ' A' ' 7' ' ' CYS . 41.1 mt-10 -106.22 -24.89 12.19 Favored 'General case' 0 C--N 1.325 -0.491 0 CA-C-O 121.074 0.464 . . . . 0.0 111.477 -176.252 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 34' ' ' ILE . . . . . . . . . . . . . 22.6 mm -114.39 128.97 71.19 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.618 0 CA-C-O 121.256 0.55 . . . . 0.0 111.823 -176.117 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 35.5 t -78.77 167.09 21.7 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-N 115.304 -0.862 . . . . 0.0 110.273 176.979 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 83.1 mttt -60.22 -32.05 70.76 Favored 'General case' 0 C--N 1.322 -0.598 0 CA-C-N 115.654 -0.703 . . . . 0.0 109.972 178.136 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 6.5 m-20 -58.92 -61.74 2.41 Favored 'General case' 0 N--CA 1.463 0.183 0 CA-C-N 115.534 -0.757 . . . . 0.0 110.837 179.197 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -64.22 -37.25 86.81 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 115.661 -0.699 . . . . 0.0 110.951 -177.967 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 39' ' ' TRP . . . . . . . . . . . . . 67.4 t-105 -63.48 -45.9 88.62 Favored 'General case' 0 C--N 1.326 -0.439 0 CA-C-N 116.053 -0.522 . . . . 0.0 110.563 -179.29 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -71.11 -39.86 71.8 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-N 116.402 -0.363 . . . . 0.0 110.756 -179.928 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 1.0 OUTLIER -63.07 -44.77 94.87 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-N 115.967 -0.561 . . . . 0.0 110.768 -178.213 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 42' ' ' TRP . . . . . . . . . . . . . 18.9 t-105 -64.9 -43.31 93.26 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.615 -0.266 . . . . 0.0 110.899 -179.132 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 43' ' ' GLN . . . . . . . . . . . . . 48.1 mt-30 -63.44 -41.81 98.66 Favored 'General case' 0 C--N 1.329 -0.3 0 C-N-CA 121.134 -0.227 . . . . 0.0 110.583 178.977 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 44' ' ' HIS . . . . . . . . . . . . . 20.2 t60 -60.58 -46.25 90.94 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.101 178.226 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -64.86 -48.05 75.71 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-N 115.987 -0.551 . . . . 0.0 110.763 179.621 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 46' ' ' GLN . . . . . 0.574 ' O ' HG13 ' A' ' 50' ' ' ILE . 53.1 tp60 -62.8 -41.43 99.27 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 116.074 -0.512 . . . . 0.0 111.211 -177.679 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 75.0 m -59.45 -40.74 87.83 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 120.677 0.275 . . . . 0.0 110.587 178.203 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 48' ' ' MET . . . . . . . . . . . . . 15.8 tpt -58.94 -46.53 87.76 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.088 175.718 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 10.6 mp -63.95 -36.99 85.78 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 115.839 -0.619 . . . . 0.0 111.067 179.352 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 50' ' ' ILE . . . . . 0.574 HG13 ' O ' ' A' ' 46' ' ' GLN . 79.0 mt -60.93 -36.12 69.72 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.241 0 CA-C-O 120.73 0.3 . . . . 0.0 110.21 177.52 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 51' ' ' ASN . . . . . . . . . . . . . 87.3 m-20 -69.89 -50.93 37.53 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.003 -0.544 . . . . 0.0 110.567 177.747 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 42.5 mt-10 -61.25 -45.58 93.94 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 115.646 -0.706 . . . . 0.0 111.359 -177.419 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 94.0 mttt -82.48 -17.6 44.62 Favored 'General case' 0 C--N 1.325 -0.47 0 CA-C-N 116.081 -0.509 . . . . 0.0 110.836 -177.333 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 26.4 tptp 54.9 59.38 4.1 Favored 'General case' 0 CA--C 1.531 0.244 0 CA-C-O 121.615 0.721 . . . . 0.0 110.219 -178.019 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 84.1 mt -75.71 141.0 42.76 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-N 115.409 -0.814 . . . . 0.0 111.779 -174.051 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 56' ' ' ASN . . . . . . . . . . . . . 23.7 t-20 -99.94 114.4 27.63 Favored 'General case' 0 C--N 1.325 -0.493 0 CA-C-N 115.69 -0.686 . . . . 0.0 110.041 176.549 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 57' ' ' MET . . . . . . . . . . . . . 22.8 mmt -92.63 41.49 1.08 Allowed 'General case' 0 C--N 1.321 -0.659 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.777 -173.577 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 58' ' ' MET . . . . . . . . . . . . . 79.7 mtp -97.96 -39.47 8.95 Favored 'General case' 0 C--N 1.326 -0.455 0 CA-C-O 120.903 0.382 . . . . 0.0 110.245 172.738 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 59' ' ' ASN . . . . . . . . . . . . . 75.9 m-20 -88.16 154.84 20.13 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.779 -177.121 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -75.75 -7.88 55.47 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.278 -0.419 . . . . 0.0 111.127 179.548 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 37.9 mt-10 -54.11 -53.58 51.27 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 115.717 -0.674 . . . . 0.0 110.838 178.837 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 62' ' ' HIS . . . . . . . . . . . . . 95.7 m-70 -79.33 -19.09 51.2 Favored 'General case' 0 C--N 1.326 -0.456 0 CA-C-N 115.747 -0.66 . . . . 0.0 110.455 -177.91 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 63' ' ' ARG . . . . . . . . . . . . . 23.9 tpp180 -66.62 -51.91 51.06 Favored 'General case' 0 C--O 1.235 0.314 0 CA-C-N 116.069 -0.514 . . . . 0.0 110.179 179.104 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 52.3 pttt -69.23 -31.04 69.35 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.055 178.535 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 57.9 tp -57.45 -56.23 24.49 Favored 'General case' 0 N--CA 1.457 -0.119 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.732 178.425 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 10.2 mp -59.98 -33.21 71.65 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 115.988 -0.551 . . . . 0.0 110.986 179.526 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 32.7 tt0 -63.67 -52.33 61.18 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-O 121.026 0.441 . . . . 0.0 110.342 176.908 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 68' ' ' GLN . . . . . . . . . . . . . 56.1 mt-30 -61.87 -45.8 92.19 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-N 116.055 -0.52 . . . . 0.0 111.367 -179.975 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 20.7 mt-10 -68.23 -29.33 68.13 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.6 0.238 . . . . 0.0 110.97 -179.287 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 70' ' ' MET . . . . . . . . . . . . . 47.3 ttm -64.52 -51.76 61.25 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 116.483 -0.326 . . . . 0.0 110.243 176.679 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 71' ' ' VAL . . . . . 0.412 ' CG1' ' HB3' ' A' ' 78' ' ' LYS . 58.5 t -63.2 -36.52 76.31 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.375 0 CA-C-N 116.13 -0.487 . . . . 0.0 110.48 -179.943 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 34.8 m -66.42 -53.13 39.17 Favored 'General case' 0 C--N 1.325 -0.474 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.953 178.834 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 73' ' ' PHE . . . . . . . . . . . . . 59.0 t80 -70.51 -47.53 59.99 Favored 'General case' 0 C--N 1.325 -0.478 0 CA-C-N 116.486 -0.324 . . . . 0.0 111.616 -174.303 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 74' ' ' LEU . . . . . . . . . . . . . 70.3 mt -81.93 -33.4 30.39 Favored 'General case' 0 C--N 1.324 -0.54 0 N-CA-C 112.804 0.668 . . . . 0.0 112.804 -172.036 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 75' ' ' PHE . . . . . . . . . . . . . 29.3 m-85 -108.85 -30.12 8.3 Favored 'General case' 0 C--N 1.327 -0.38 0 N-CA-C 112.619 0.6 . . . . 0.0 112.619 -174.443 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 6.6 mm-40 64.06 13.07 7.46 Favored 'General case' 0 N--CA 1.469 0.519 0 CA-C-O 120.883 0.373 . . . . 0.0 111.236 -178.513 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . -132.29 71.43 0.5 Allowed Glycine 0 N--CA 1.449 -0.498 0 C-N-CA 120.797 -0.716 . . . . 0.0 112.319 -176.618 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 78' ' ' LYS . . . . . 0.519 ' HD2' ' O ' ' A' ' 78' ' ' LYS . 0.1 OUTLIER -124.52 152.71 43.1 Favored 'General case' 0 C--N 1.324 -0.503 0 CA-C-O 120.832 0.349 . . . . 0.0 110.962 -179.584 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 79' ' ' ASP . . . . . . . . . . . . . 10.6 m-20 -115.35 -11.69 11.86 Favored 'General case' 0 C--N 1.324 -0.537 0 CA-C-N 116.043 -0.526 . . . . 0.0 110.789 178.587 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 80' ' ' VAL . . . . . . . . . . . . . 13.4 t . . . . . 0 C--N 1.327 -0.409 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.132 -179.558 . . . . . . . . 0 0 . 1 . 010 nuclear orig core ' A' A ' 3' ' ' ARG . . . . . . . . . . . . . 43.2 ttm180 . . . . . 0 C--O 1.233 0.189 0 N-CA-C 109.27 -0.641 . . . . 0.0 109.27 . . . . . . . . . 0 0 . 1 . 010 nuclear orig core ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 5.3 m -80.37 104.69 11.09 Favored 'General case' 0 C--N 1.323 -0.549 0 CA-C-N 115.993 -0.549 . . . . 0.0 111.668 -174.019 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 5' ' ' ILE . . . . . . . . . . . . . 2.8 pp -120.63 159.08 22.56 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.642 0 CA-C-N 116.109 -0.496 . . . . 0.0 109.853 175.472 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 6' ' ' PHE . . . . . . . . . . . . . 96.5 m-85 -98.53 100.93 12.22 Favored 'General case' 0 C--N 1.318 -0.772 0 N-CA-C 109.701 -0.481 . . . . 0.0 109.701 177.302 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 7' ' ' CYS . . . . . 0.704 ' SG ' ' HB2' ' A' ' 10' ' ' LEU . 4.3 p -73.19 136.34 44.7 Favored 'General case' 0 C--N 1.324 -0.54 0 CA-C-N 115.592 -0.731 . . . . 0.0 111.116 -176.206 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 9.5 p -61.52 -35.82 78.81 Favored 'General case' 0 C--N 1.323 -0.549 0 CA-C-N 115.763 -0.653 . . . . 0.0 112.191 -176.368 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 9' ' ' TYR . . . . . . . . . . . . . 71.8 t80 -71.8 -44.36 64.07 Favored 'General case' 0 C--N 1.328 -0.359 0 N-CA-C 111.826 0.306 . . . . 0.0 111.826 -176.145 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 10' ' ' LEU . . . . . 0.704 ' HB2' ' SG ' ' A' ' 7' ' ' CYS . 7.0 mp -88.71 -26.27 21.89 Favored 'General case' 0 N--CA 1.465 0.28 0 C-N-CA 121.059 -0.256 . . . . 0.0 111.313 -176.525 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 29.0 mm-40 68.07 16.77 9.5 Favored 'General case' 0 N--CA 1.465 0.324 0 CA-C-O 121.212 0.529 . . . . 0.0 110.961 -179.268 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 97.5 mtt180 -125.58 172.91 9.33 Favored 'General case' 0 C--N 1.323 -0.549 0 CA-C-N 115.91 -0.586 . . . . 0.0 109.487 179.82 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 4.1 p-10 -78.22 128.92 34.45 Favored 'General case' 0 C--N 1.319 -0.755 0 CA-C-O 121.201 0.524 . . . . 0.0 109.761 175.406 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -148.74 -179.83 7.28 Favored 'General case' 0 C--N 1.315 -0.923 0 CA-C-N 115.582 -0.735 . . . . 0.0 109.81 -178.344 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 17.3 pt-20 -85.75 145.51 27.22 Favored 'General case' 0 C--N 1.316 -0.85 0 CA-C-N 116.525 -0.307 . . . . 0.0 110.5 -177.05 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . -66.6 167.59 37.02 Favored Glycine 0 N--CA 1.448 -0.516 0 C-N-CA 120.777 -0.725 . . . . 0.0 111.609 174.089 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 17' ' ' GLN . . . . . 0.478 ' HA ' ' HG3' ' A' ' 36' ' ' LYS . 30.9 mt-30 -75.49 -111.16 0.01 OUTLIER 'General case' 0 C--N 1.323 -0.582 0 N-CA-C 112.42 0.526 . . . . 0.0 112.42 -177.78 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 3.9 m-20 -136.69 -164.78 1.63 Allowed 'General case' 0 C--N 1.322 -0.609 0 CA-C-O 121.015 0.436 . . . . 0.0 110.766 -170.325 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 19' ' ' PHE . . . . . 0.445 ' O ' ' HG ' ' A' ' 21' ' ' LEU . 38.1 p90 -92.0 175.72 6.77 Favored 'General case' 0 C--N 1.322 -0.614 0 CA-C-N 115.753 -0.658 . . . . 0.0 110.042 176.501 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 14.4 mm100 -72.16 96.01 1.73 Allowed 'General case' 0 C--N 1.325 -0.494 0 CA-C-O 120.963 0.411 . . . . 0.0 110.148 178.448 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 21' ' ' LEU . . . . . 0.445 ' HG ' ' O ' ' A' ' 19' ' ' PHE . 0.7 OUTLIER -116.93 -11.23 10.84 Favored 'General case' 0 C--N 1.325 -0.459 0 CA-C-N 116.013 -0.54 . . . . 0.0 112.346 -176.256 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 22' ' ' TYR . . . . . 0.513 ' HB3' ' HD3' ' A' ' 23' ' ' PRO . 43.2 t80 -153.42 -53.63 0.02 OUTLIER Pre-proline 0 C--N 1.327 -0.402 0 N-CA-C 111.814 0.301 . . . . 0.0 111.814 -177.579 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 23' ' ' PRO . . . . . 0.526 ' HB2' ' HA3' ' A' ' 27' ' ' GLY . 10.2 Cg_endo -89.2 173.65 3.89 Favored 'Trans proline' 0 N--CA 1.453 -0.875 0 C-N-CA 121.922 1.748 . . . . 0.0 112.1 -179.142 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -111.86 -120.76 3.93 Favored Glycine 0 N--CA 1.447 -0.57 0 C-N-CA 120.698 -0.763 . . . . 0.0 112.629 -177.447 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 25' ' ' GLU . . . . . 0.409 ' O ' ' HG2' ' A' ' 28' ' ' LYS . 42.6 mt-10 -63.81 -45.33 90.09 Favored 'General case' 0 C--O 1.236 0.359 0 CA-C-O 120.719 0.295 . . . . 0.0 111.405 -175.279 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 54.5 tp -63.21 -32.18 73.52 Favored 'General case' 0 C--N 1.328 -0.365 0 N-CA-C 109.614 -0.513 . . . . 0.0 109.614 176.673 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 27' ' ' GLY . . . . . 0.526 ' HA3' ' HB2' ' A' ' 23' ' ' PRO . . . -63.25 -56.4 20.39 Favored Glycine 0 N--CA 1.447 -0.575 0 CA-C-N 115.592 -0.731 . . . . 0.0 112.741 179.38 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 28' ' ' LYS . . . . . 0.409 ' HG2' ' O ' ' A' ' 25' ' ' GLU . 21.7 ptmt -58.04 -34.04 69.65 Favored 'General case' 0 C--O 1.238 0.49 0 CA-C-O 120.822 0.344 . . . . 0.0 110.837 -176.661 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 29' ' ' ARG . . . . . 0.556 ' O ' ' HG2' ' A' ' 33' ' ' GLU . 32.8 ttt180 -59.22 -57.94 10.81 Favored 'General case' 0 N--CA 1.452 -0.357 0 CA-C-N 116.349 -0.387 . . . . 0.0 110.014 175.276 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 30' ' ' ILE . . . . . 0.457 ' O ' ' HB ' ' A' ' 34' ' ' ILE . 70.9 mt -59.25 -37.1 67.01 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.407 0 CA-C-O 121.109 0.481 . . . . 0.0 110.661 -179.29 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 31' ' ' TYR . . . . . . . . . . . . . 3.1 m-85 -66.71 -20.81 66.05 Favored 'General case' 0 C--N 1.323 -0.583 0 N-CA-C 112.609 0.596 . . . . 0.0 112.609 -177.092 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 32' ' ' ASN . . . . . . . . . . . . . 6.0 p30 -103.58 -12.46 17.06 Favored 'General case' 0 CA--C 1.534 0.342 0 C-N-CA 119.803 -0.759 . . . . 0.0 112.52 179.546 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 33' ' ' GLU . . . . . 0.556 ' HG2' ' O ' ' A' ' 29' ' ' ARG . 6.8 pt-20 -116.27 -3.72 11.95 Favored 'General case' 0 N--CA 1.468 0.444 0 CA-C-O 121.053 0.454 . . . . 0.0 111.57 178.182 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 34' ' ' ILE . . . . . 0.457 ' HB ' ' O ' ' A' ' 30' ' ' ILE . 12.7 mm -127.83 134.6 65.01 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.578 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.29 175.71 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 16.2 m -85.6 160.23 19.67 Favored 'General case' 0 C--N 1.322 -0.606 0 CA-C-N 116.041 -0.527 . . . . 0.0 110.945 178.938 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 36' ' ' LYS . . . . . 0.478 ' HG3' ' HA ' ' A' ' 17' ' ' GLN . 45.3 mttm -49.71 -43.64 47.71 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-N 115.586 -0.734 . . . . 0.0 111.12 178.52 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 2.4 m-20 -58.49 -53.67 55.68 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 115.465 -0.789 . . . . 0.0 111.385 -178.866 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -62.7 -38.93 92.37 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.034 -0.53 . . . . 0.0 110.973 -177.948 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 39' ' ' TRP . . . . . 0.422 ' O ' ' HG3' ' A' ' 43' ' ' GLN . 76.4 t-105 -64.62 -44.75 89.55 Favored 'General case' 0 C--N 1.326 -0.453 0 CA-C-N 115.854 -0.612 . . . . 0.0 110.293 177.982 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -62.24 -39.68 93.66 Favored 'General case' 0 C--O 1.235 0.325 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.818 178.993 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 41' ' ' GLN . . . . . 0.539 ' HA ' HE21 ' A' ' 41' ' ' GLN . 0.0 OUTLIER -60.4 -45.64 92.83 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 115.939 -0.573 . . . . 0.0 110.568 177.268 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 42' ' ' TRP . . . . . . . . . . . . . 22.5 t-105 -63.71 -43.92 95.15 Favored 'General case' 0 N--CA 1.453 -0.301 0 CA-C-N 116.545 -0.298 . . . . 0.0 110.961 178.971 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 43' ' ' GLN . . . . . 0.422 ' HG3' ' O ' ' A' ' 39' ' ' TRP . 45.9 mt-30 -55.2 -45.64 75.87 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-O 120.793 0.33 . . . . 0.0 111.311 -178.878 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 44' ' ' HIS . . . . . . . . . . . . . 70.9 m-70 -72.29 -34.7 68.34 Favored 'General case' 0 C--N 1.324 -0.5 0 CA-C-N 116.486 -0.324 . . . . 0.0 110.964 -178.703 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 58.7 tptt -62.63 -45.46 92.76 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.832 0.349 . . . . 0.0 110.144 175.88 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 46' ' ' GLN . . . . . . . . . . . . . 23.5 tp60 -64.06 -42.94 96.84 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 116.061 -0.518 . . . . 0.0 110.402 178.407 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 35.4 m -60.1 -46.61 89.03 Favored 'General case' 0 C--O 1.235 0.298 0 CA-C-O 120.981 0.42 . . . . 0.0 110.117 177.812 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 48' ' ' MET . . . . . . . . . . . . . 53.6 tpp -59.64 -42.7 93.35 Favored 'General case' 0 C--N 1.332 -0.183 0 CA-C-N 115.741 -0.663 . . . . 0.0 110.39 177.102 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 49' ' ' LEU . . . . . 0.411 ' HG ' ' HE2' ' A' ' 53' ' ' LYS . 7.7 tp -64.42 -41.6 96.52 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 115.736 -0.666 . . . . 0.0 110.829 -178.192 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 50' ' ' ILE . . . . . . . . . . . . . 78.6 mt -61.58 -46.58 96.27 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.442 176.921 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 51' ' ' ASN . . . . . . . . . . . . . 57.0 t30 -71.01 -23.97 62.28 Favored 'General case' 0 C--N 1.326 -0.454 0 CA-C-N 115.637 -0.711 . . . . 0.0 110.314 -179.023 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 25.5 tt0 -75.56 -65.26 0.92 Allowed 'General case' 0 C--N 1.324 -0.528 0 CA-C-N 115.454 -0.794 . . . . 0.0 110.954 -179.384 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 53' ' ' LYS . . . . . 0.411 ' HE2' ' HG ' ' A' ' 49' ' ' LEU . 52.4 mttm -82.4 -16.45 49.02 Favored 'General case' 0 C--N 1.326 -0.455 0 CA-C-N 115.652 -0.704 . . . . 0.0 111.123 -172.253 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 75.6 mmtt 61.14 80.89 0.2 Allowed 'General case' 0 C--O 1.233 0.192 0 O-C-N 123.857 0.723 . . . . 0.0 111.411 -179.802 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 4.0 pp -107.1 151.24 25.64 Favored 'General case' 0 C--N 1.323 -0.579 0 CA-C-N 115.749 -0.659 . . . . 0.0 109.83 176.613 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 56' ' ' ASN . . . . . . . . . . . . . 27.6 p-10 -101.2 147.25 26.48 Favored 'General case' 0 C--N 1.323 -0.549 0 N-CA-C 109.288 -0.634 . . . . 0.0 109.288 177.762 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 57' ' ' MET . . . . . . . . . . . . . 18.6 mtp -106.57 5.36 29.02 Favored 'General case' 0 C--N 1.32 -0.717 0 C-N-CA 120.628 -0.429 . . . . 0.0 111.882 -169.774 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 58' ' ' MET . . . . . . . . . . . . . 15.6 ptp -85.41 -17.11 37.6 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-O 120.82 0.343 . . . . 0.0 110.199 174.229 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 59' ' ' ASN . . . . . 0.45 ' HB3' ' OE1' ' A' ' 61' ' ' GLU . 6.4 m-20 -85.89 -177.61 6.38 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 115.996 -0.547 . . . . 0.0 110.45 178.719 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -92.15 -31.99 15.28 Favored 'General case' 0 C--N 1.323 -0.561 0 CA-C-O 120.767 0.318 . . . . 0.0 110.965 -179.088 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 61' ' ' GLU . . . . . 0.45 ' OE1' ' HB3' ' A' ' 59' ' ' ASN . 1.9 mp0 -47.52 -41.59 21.44 Favored 'General case' 0 N--CA 1.466 0.341 0 C-N-CA 123.756 0.822 . . . . 0.0 113.115 -172.763 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 62' ' ' HIS . . . . . . . . . . . . . 15.7 p80 -63.08 -24.92 68.13 Favored 'General case' 0 C--N 1.331 -0.228 0 N-CA-C 111.719 0.266 . . . . 0.0 111.719 -175.79 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 63' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -69.94 -56.95 5.69 Favored 'General case' 0 CA--C 1.519 -0.22 0 C-N-CA 121.048 -0.261 . . . . 0.0 110.771 -175.366 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 64' ' ' LYS . . . . . 0.425 ' O ' ' HG3' ' A' ' 68' ' ' GLN . 65.9 pttt -66.7 -36.96 83.75 Favored 'General case' 0 C--N 1.327 -0.394 0 C-N-CA 120.638 -0.425 . . . . 0.0 110.365 -179.275 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 53.7 tp -59.16 -49.65 77.04 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.534 -0.303 . . . . 0.0 110.519 179.208 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 10.4 tt -64.16 -43.74 94.25 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.137 179.657 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 34.8 tt0 -62.21 -41.79 98.7 Favored 'General case' 0 C--O 1.235 0.341 0 CA-C-O 120.886 0.375 . . . . 0.0 110.951 -178.465 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 68' ' ' GLN . . . . . 0.502 ' HA ' ' HE2' ' A' ' 78' ' ' LYS . 55.9 mt-30 -61.79 -57.16 12.96 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 115.99 -0.55 . . . . 0.0 110.756 178.801 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 8.2 mm-40 -63.15 -39.72 95.48 Favored 'General case' 0 C--N 1.325 -0.484 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.708 -177.42 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 70' ' ' MET . . . . . . . . . . . . . 58.8 ttp -59.18 -58.16 9.84 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-O 120.874 0.369 . . . . 0.0 111.443 -178.659 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 71' ' ' VAL . . . . . . . . . . . . . 46.8 t -66.73 -29.53 46.72 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 CA-C-O 120.919 0.39 . . . . 0.0 110.899 -175.431 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 10.2 t -76.26 -40.82 50.89 Favored 'General case' 0 C--N 1.325 -0.481 0 CA-C-O 120.791 0.329 . . . . 0.0 110.729 -179.693 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 73' ' ' PHE . . . . . . . . . . . . . 69.2 t80 -70.64 -39.9 73.4 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-O 120.905 0.383 . . . . 0.0 110.95 -178.682 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 74' ' ' LEU . . . . . . . . . . . . . 96.3 mt -86.67 -46.34 10.16 Favored 'General case' 0 C--N 1.325 -0.484 0 CA-C-N 116.026 -0.534 . . . . 0.0 112.276 -174.676 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 75' ' ' PHE . . . . . . . . . . . . . 49.6 t80 -98.19 -30.18 12.79 Favored 'General case' 0 C--N 1.328 -0.356 0 C-N-CA 120.903 -0.319 . . . . 0.0 111.79 -173.705 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 6.2 mm-40 60.18 32.23 20.8 Favored 'General case' 0 N--CA 1.469 0.501 0 CA-C-O 121.154 0.502 . . . . 0.0 111.196 -177.485 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . -153.79 84.1 0.15 Allowed Glycine 0 N--CA 1.448 -0.521 0 C-N-CA 120.882 -0.675 . . . . 0.0 112.07 179.376 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 78' ' ' LYS . . . . . 0.502 ' HE2' ' HA ' ' A' ' 68' ' ' GLN . 26.5 mtpp -112.26 174.26 5.97 Favored 'General case' 0 C--N 1.321 -0.633 0 CA-C-O 121.431 0.634 . . . . 0.0 112.029 179.641 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 79' ' ' ASP . . . . . . . . . . . . . 2.4 m-20 -106.37 -40.75 5.5 Favored 'General case' 0 C--N 1.322 -0.598 0 CA-C-N 114.987 -1.006 . . . . 0.0 108.289 172.371 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 80' ' ' VAL . . . . . . . . . . . . . 36.4 t . . . . . 0 C--N 1.327 -0.383 0 CA-C-N 114.852 -1.067 . . . . 0.0 110.653 179.478 . . . . . . . . 0 0 . 1 . 011 nuclear orig core ' A' A ' 3' ' ' ARG . . . . . 0.419 ' HD2' ' HA3' ' A' ' 16' ' ' GLY . 38.0 ttm180 . . . . . 0 N--CA 1.454 -0.269 0 N-CA-C 109.979 -0.378 . . . . 0.0 109.979 . . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 20.2 p -109.22 129.87 55.49 Favored 'General case' 0 C--N 1.321 -0.657 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.243 -179.379 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 5' ' ' ILE . . . . . . . . . . . . . 2.8 pp -128.13 173.98 12.37 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.45 0 CA-C-N 115.898 -0.592 . . . . 0.0 109.919 175.867 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 6' ' ' PHE . . . . . . . . . . . . . 56.8 m-85 -97.84 102.61 14.41 Favored 'General case' 0 C--N 1.322 -0.598 0 CA-C-O 120.899 0.38 . . . . 0.0 110.189 176.057 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 7' ' ' CYS . . . . . 0.558 ' HA ' ' O ' ' A' ' 33' ' ' GLU . 47.5 t -75.69 129.6 37.37 Favored 'General case' 0 C--N 1.322 -0.615 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.304 -178.482 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 3.5 p -60.49 -46.45 90.05 Favored 'General case' 0 C--N 1.324 -0.535 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.852 -177.476 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 9' ' ' TYR . . . . . . . . . . . . . 75.8 t80 -70.45 -20.08 62.92 Favored 'General case' 0 C--N 1.325 -0.465 0 CA-C-N 115.952 -0.567 . . . . 0.0 111.394 -175.983 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 83.0 mt -105.66 -29.36 10.15 Favored 'General case' 0 C--N 1.326 -0.453 0 C-N-CA 121.091 -0.244 . . . . 0.0 111.553 -176.254 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 31.9 mm-40 65.6 22.45 11.71 Favored 'General case' 0 N--CA 1.469 0.507 0 CA-C-O 121.146 0.498 . . . . 0.0 110.67 -178.76 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 30.9 mtp180 -141.25 -179.74 6.29 Favored 'General case' 0 C--N 1.326 -0.439 0 CA-C-N 115.989 -0.551 . . . . 0.0 110.771 -176.219 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 5.3 m-20 -70.33 125.48 26.9 Favored 'General case' 0 C--O 1.235 0.329 0 CA-C-N 115.931 -0.577 . . . . 0.0 110.345 176.68 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -137.78 175.67 9.39 Favored 'General case' 0 C--N 1.322 -0.591 0 CA-C-N 116.11 -0.496 . . . . 0.0 110.635 179.511 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 31.5 tt0 -75.51 143.52 42.47 Favored 'General case' 0 C--N 1.326 -0.43 0 N-CA-C 110.036 -0.357 . . . . 0.0 110.036 -178.266 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 16' ' ' GLY . . . . . 0.419 ' HA3' ' HD2' ' A' ' 3' ' ' ARG . . . -83.32 37.7 2.74 Favored Glycine 0 CA--C 1.518 0.253 0 CA-C-N 116.115 -0.493 . . . . 0.0 113.837 -175.995 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 17' ' ' GLN . . . . . . . . . . . . . 2.3 mm-40 58.33 -166.12 0.16 Allowed 'General case' 0 C--N 1.329 -0.303 0 N-CA-C 114.767 1.395 . . . . 0.0 114.767 169.348 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 1.2 t70 -91.27 -153.62 0.33 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 114.447 -1.252 . . . . 0.0 110.949 -172.949 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 77.3 m-85 -119.78 179.07 4.35 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.026 -178.987 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 19.0 mm-40 -78.86 89.32 4.68 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-O 121.12 0.486 . . . . 0.0 110.228 177.782 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -109.99 -17.22 13.65 Favored 'General case' 0 C--N 1.324 -0.539 0 CA-C-N 115.689 -0.687 . . . . 0.0 111.922 -178.64 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 22' ' ' TYR . . . . . 0.519 ' HB3' ' HD3' ' A' ' 23' ' ' PRO . 67.2 t80 -156.99 -50.83 0.01 OUTLIER Pre-proline 0 C--N 1.325 -0.461 0 N-CA-C 111.767 0.284 . . . . 0.0 111.767 -176.724 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 23' ' ' PRO . . . . . 0.519 ' HD3' ' HB3' ' A' ' 22' ' ' TYR . 5.3 Cg_exo -79.2 154.61 25.19 Favored 'Trans proline' 0 C--N 1.354 0.862 0 C-N-CA 121.883 1.722 . . . . 0.0 111.593 178.199 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -97.94 -133.58 7.99 Favored Glycine 0 N--CA 1.451 -0.339 0 C-N-CA 120.525 -0.845 . . . . 0.0 112.307 179.391 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 39.7 mm-40 -63.52 -26.98 68.96 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.602 0.239 . . . . 0.0 111.25 -177.487 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 26' ' ' LEU . . . . . 0.503 ' O ' HG12 ' A' ' 30' ' ' ILE . 58.9 tp -63.71 -50.98 67.01 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-O 120.947 0.404 . . . . 0.0 110.182 178.033 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . -64.99 -37.47 94.31 Favored Glycine 0 N--CA 1.449 -0.463 0 C-N-CA 120.839 -0.696 . . . . 0.0 111.466 177.875 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 72.0 tttt -58.76 -45.76 89.01 Favored 'General case' 0 C--N 1.322 -0.612 0 C-N-CA 122.719 0.408 . . . . 0.0 110.774 176.365 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 73.6 ttt180 -56.7 -40.81 76.27 Favored 'General case' 0 N--CA 1.463 0.189 0 CA-C-N 116.025 -0.534 . . . . 0.0 110.359 176.804 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 30' ' ' ILE . . . . . 0.503 HG12 ' O ' ' A' ' 26' ' ' LEU . 44.9 mm -69.02 -47.97 72.43 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.358 0 CA-C-N 115.767 -0.651 . . . . 0.0 111.19 179.597 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 31' ' ' TYR . . . . . . . . . . . . . 21.5 m-30 -61.67 -25.48 67.42 Favored 'General case' 0 N--CA 1.466 0.359 0 N-CA-C 112.617 0.599 . . . . 0.0 112.617 -172.879 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 32' ' ' ASN . . . . . . . . . . . . . 25.7 m-80 -72.43 -28.53 63.01 Favored 'General case' 0 C--N 1.323 -0.564 0 C-N-CA 120.893 -0.323 . . . . 0.0 111.439 177.671 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 33' ' ' GLU . . . . . 0.558 ' O ' ' HA ' ' A' ' 7' ' ' CYS . 15.2 mm-40 -109.11 -22.2 12.24 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-O 120.826 0.346 . . . . 0.0 111.76 -173.864 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 34' ' ' ILE . . . . . 0.477 HD11 ' O ' ' A' ' 74' ' ' LEU . 26.0 mm -118.28 132.95 66.63 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.67 0 CA-C-O 120.751 0.31 . . . . 0.0 111.342 -176.434 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 4.4 t -90.42 -178.53 5.37 Favored 'General case' 0 N--CA 1.449 -0.479 0 CA-C-N 116.007 -0.542 . . . . 0.0 110.061 179.585 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 61.6 mttm -69.86 -42.36 73.64 Favored 'General case' 0 C--N 1.327 -0.405 0 N-CA-C 112.235 0.457 . . . . 0.0 112.235 -174.564 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 31.6 t70 -62.87 -45.61 91.76 Favored 'General case' 0 C--N 1.329 -0.302 0 C-N-CA 120.646 -0.422 . . . . 0.0 110.826 -178.439 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -65.86 -39.85 91.13 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-N 116.268 -0.424 . . . . 0.0 110.657 178.465 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 39' ' ' TRP . . . . . 0.496 ' CZ3' HG22 ' A' ' 30' ' ' ILE . 63.8 t-105 -62.64 -50.87 69.51 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-N 115.897 -0.592 . . . . 0.0 110.379 178.576 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -66.14 -31.77 72.83 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 115.809 -0.632 . . . . 0.0 110.601 -179.867 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 32.2 tt0 -63.03 -43.95 97.26 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 115.973 -0.558 . . . . 0.0 110.17 178.199 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 42' ' ' TRP . . . . . . . . . . . . . 42.8 t-105 -67.24 -41.81 85.02 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.071 -0.513 . . . . 0.0 110.634 177.438 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 43' ' ' GLN . . . . . 0.484 ' HG3' ' O ' ' A' ' 39' ' ' TRP . 47.8 mt-30 -60.12 -43.82 95.34 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 121.032 0.444 . . . . 0.0 110.315 178.004 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 44' ' ' HIS . . . . . . . . . . . . . 32.3 t60 -61.52 -43.69 98.41 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-N 115.755 -0.657 . . . . 0.0 110.227 177.786 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 45' ' ' LYS . . . . . 0.61 ' O ' ' HG ' ' A' ' 49' ' ' LEU . 5.7 tmtt? -63.48 -44.97 92.86 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 115.689 -0.687 . . . . 0.0 110.117 179.718 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 46' ' ' GLN . . . . . 0.449 ' O ' HG13 ' A' ' 50' ' ' ILE . 58.6 tp60 -65.81 -35.43 80.66 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.013 -0.539 . . . . 0.0 111.148 -179.694 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 49.1 m -57.32 -44.54 84.28 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 121.137 0.494 . . . . 0.0 109.689 176.645 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 48' ' ' MET . . . . . . . . . . . . . 26.2 ttt -62.65 -45.72 91.54 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 115.382 -0.826 . . . . 0.0 110.326 175.973 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 49' ' ' LEU . . . . . 0.61 ' HG ' ' O ' ' A' ' 45' ' ' LYS . 85.7 mt -59.39 -44.28 92.82 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 115.998 -0.547 . . . . 0.0 111.799 -178.499 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 50' ' ' ILE . . . . . 0.449 HG13 ' O ' ' A' ' 46' ' ' GLN . 77.2 mt -61.55 -42.73 95.16 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.248 0 CA-C-O 121.082 0.467 . . . . 0.0 110.632 178.61 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 51' ' ' ASN . . . . . . . . . . . . . 30.5 t30 -66.29 -40.38 90.01 Favored 'General case' 0 C--N 1.323 -0.553 0 CA-C-N 115.592 -0.731 . . . . 0.0 110.963 -177.732 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 19.2 mm-40 -75.86 -41.64 51.72 Favored 'General case' 0 C--N 1.324 -0.516 0 CA-C-N 116.188 -0.46 . . . . 0.0 112.185 -176.0 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 33.6 mtmm -93.51 -13.69 27.53 Favored 'General case' 0 C--N 1.327 -0.381 0 N-CA-C 112.361 0.504 . . . . 0.0 112.361 -174.409 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 60.6 mttp 53.55 79.58 0.12 Allowed 'General case' 0 N--CA 1.465 0.315 0 CA-C-O 121.072 0.463 . . . . 0.0 111.04 -175.627 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 55' ' ' LEU . . . . . 0.426 ' HB2' ' CG ' ' A' ' 62' ' ' HIS . 4.5 pp -119.48 144.05 47.21 Favored 'General case' 0 C--N 1.32 -0.675 0 CA-C-O 120.996 0.426 . . . . 0.0 111.29 -178.939 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 56' ' ' ASN . . . . . . . . . . . . . 13.9 m120 -84.96 135.38 34.06 Favored 'General case' 0 C--N 1.325 -0.486 0 CA-C-N 116.004 -0.543 . . . . 0.0 110.096 176.078 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 57' ' ' MET . . . . . . . . . . . . . 0.5 OUTLIER -83.06 -19.43 36.87 Favored 'General case' 0 C--N 1.322 -0.612 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.77 -176.176 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 58' ' ' MET . . . . . . . . . . . . . 3.7 mpp? -73.87 -34.67 64.55 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-O 121.06 0.457 . . . . 0.0 110.598 -179.246 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 59' ' ' ASN . . . . . . . . . . . . . 2.1 m-20 -65.43 128.56 36.39 Favored 'General case' 0 C--N 1.326 -0.445 0 CA-C-N 115.656 -0.702 . . . . 0.0 110.9 -177.32 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 60' ' ' ALA . . . . . 0.482 ' O ' ' HG2' ' A' ' 64' ' ' LYS . . . -60.15 -24.38 64.67 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 115.814 -0.63 . . . . 0.0 110.277 178.174 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 28.3 mt-10 -48.95 -63.65 1.03 Allowed 'General case' 0 C--O 1.233 0.224 0 CA-C-N 115.43 -0.804 . . . . 0.0 110.671 174.862 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 62' ' ' HIS . . . . . 0.426 ' CG ' ' HB2' ' A' ' 55' ' ' LEU . 71.3 m-70 -81.15 -18.39 46.49 Favored 'General case' 0 C--N 1.326 -0.446 0 CA-C-N 115.328 -0.851 . . . . 0.0 110.424 -174.511 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 63' ' ' ARG . . . . . . . . . . . . . 6.8 tpp180 -64.98 -50.12 67.57 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.102 177.633 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 64' ' ' LYS . . . . . 0.482 ' HG2' ' O ' ' A' ' 60' ' ' ALA . 20.1 pttm -72.67 -27.21 61.96 Favored 'General case' 0 C--N 1.333 -0.147 0 C-N-CA 120.738 -0.385 . . . . 0.0 110.694 178.233 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 68.7 tp -59.49 -52.75 64.23 Favored 'General case' 0 C--O 1.233 0.19 0 N-CA-C 109.878 -0.416 . . . . 0.0 109.878 173.66 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 47.7 tp -58.5 -43.93 89.26 Favored 'General case' 0 N--CA 1.455 -0.209 0 CA-C-N 115.805 -0.634 . . . . 0.0 110.934 177.644 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 67' ' ' GLU . . . . . 0.491 ' O ' HG21 ' A' ' 71' ' ' VAL . 39.7 tt0 -59.32 -52.65 64.75 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.943 -179.062 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 68' ' ' GLN . . . . . . . . . . . . . 43.4 mt-30 -57.98 -50.45 73.36 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.076 -0.511 . . . . 0.0 111.707 -179.216 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 8.5 mm-40 -64.83 -33.92 77.14 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.141 -0.482 . . . . 0.0 111.122 -179.316 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 70' ' ' MET . . . . . . . . . . . . . 50.3 ttm -63.34 -51.23 66.79 Favored 'General case' 0 C--N 1.326 -0.444 0 CA-C-O 120.912 0.387 . . . . 0.0 110.687 178.652 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 71' ' ' VAL . . . . . 0.491 HG21 ' O ' ' A' ' 67' ' ' GLU . 10.8 t -73.03 -10.01 13.54 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.398 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.444 -177.85 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 72' ' ' SER . . . . . 0.478 ' O ' ' HG2' ' A' ' 76' ' ' GLU . 63.6 m -90.51 -63.89 1.21 Allowed 'General case' 0 C--N 1.326 -0.439 0 CA-C-N 116.622 -0.263 . . . . 0.0 111.336 174.608 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 73' ' ' PHE . . . . . . . . . . . . . 81.0 t80 -58.76 -36.69 74.78 Favored 'General case' 0 N--CA 1.464 0.231 0 CA-C-O 120.713 0.292 . . . . 0.0 111.701 -173.824 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 74' ' ' LEU . . . . . 0.477 ' O ' HD11 ' A' ' 34' ' ' ILE . 80.8 mt -97.79 -43.68 7.04 Favored 'General case' 0 C--N 1.322 -0.609 0 N-CA-C 112.21 0.448 . . . . 0.0 112.21 -174.918 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 75' ' ' PHE . . . . . 0.539 ' CZ ' ' HG3' ' A' ' 33' ' ' GLU . 2.8 t80 -99.49 -44.76 6.05 Favored 'General case' 0 C--N 1.322 -0.63 0 CA-C-N 116.287 -0.415 . . . . 0.0 111.985 -167.97 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 76' ' ' GLU . . . . . 0.621 ' OE1' ' HA ' ' A' ' 76' ' ' GLU . 2.7 mm-40 54.5 20.35 2.78 Favored 'General case' 0 N--CA 1.47 0.546 0 C-N-CA 123.546 0.739 . . . . 0.0 112.441 -172.765 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . -118.06 38.77 2.81 Favored Glycine 0 N--CA 1.446 -0.676 0 N-CA-C 109.947 -1.261 . . . . 0.0 109.947 172.816 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 11.9 pttm -70.07 124.63 24.57 Favored 'General case' 0 C--N 1.324 -0.508 0 CA-C-N 114.711 -0.745 . . . . 0.0 111.953 -175.172 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 79' ' ' ASP . . . . . . . . . . . . . 6.3 p-10 -84.35 -17.89 37.99 Favored 'General case' 0 C--N 1.319 -0.749 0 CA-C-N 114.924 -1.035 . . . . 0.0 109.862 174.845 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 80' ' ' VAL . . . . . . . . . . . . . 40.9 t . . . . . 0 C--N 1.326 -0.45 0 CA-C-N 115.479 -0.782 . . . . 0.0 109.481 174.654 . . . . . . . . 0 0 . 1 . 012 nuclear orig core ' A' A ' 3' ' ' ARG . . . . . 0.423 ' O ' ' HA ' ' A' ' 15' ' ' GLU . 30.9 tpt180 . . . . . 0 N--CA 1.454 -0.244 0 N-CA-C 109.798 -0.445 . . . . 0.0 109.798 . . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 58.5 m -81.3 109.99 16.33 Favored 'General case' 0 C--N 1.323 -0.585 0 CA-C-O 121.094 0.473 . . . . 0.0 111.338 -179.017 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 5' ' ' ILE . . . . . . . . . . . . . 2.8 pp -126.21 162.03 30.8 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.564 0 CA-C-N 115.545 -0.752 . . . . 0.0 109.682 175.641 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 6' ' ' PHE . . . . . . . . . . . . . 86.9 m-85 -93.99 113.22 25.17 Favored 'General case' 0 C--N 1.32 -0.691 0 N-CA-C 109.77 -0.456 . . . . 0.0 109.77 175.121 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 7' ' ' CYS . . . . . 0.421 ' HA ' ' O ' ' A' ' 33' ' ' GLU . 42.7 t -78.67 137.23 37.71 Favored 'General case' 0 C--N 1.322 -0.601 0 CA-C-N 115.687 -0.688 . . . . 0.0 110.558 -175.88 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 3.0 p -60.08 -56.84 16.69 Favored 'General case' 0 C--N 1.324 -0.523 0 CA-C-N 115.8 -0.636 . . . . 0.0 112.427 -177.351 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 9' ' ' TYR . . . . . . . . . . . . . 46.0 t80 -73.55 -34.54 65.24 Favored 'General case' 0 C--N 1.324 -0.509 0 CA-C-O 120.631 0.253 . . . . 0.0 111.319 -173.963 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 10' ' ' LEU . . . . . 0.408 ' HB2' ' HB3' ' A' ' 7' ' ' CYS . 85.9 mt -80.26 -26.94 38.74 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-O 120.543 0.211 . . . . 0.0 110.953 -178.763 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 26.4 mm-40 63.9 19.65 11.84 Favored 'General case' 0 N--CA 1.466 0.364 0 CA-C-N 116.029 -0.532 . . . . 0.0 111.84 178.047 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 72.2 mtp180 -137.05 179.79 6.17 Favored 'General case' 0 C--N 1.325 -0.483 0 CA-C-N 116.164 -0.471 . . . . 0.0 109.871 178.133 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 6.0 p-10 -79.27 140.0 37.73 Favored 'General case' 0 C--N 1.325 -0.5 0 CA-C-O 121.022 0.439 . . . . 0.0 110.105 178.969 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -156.58 179.02 9.67 Favored 'General case' 0 C--N 1.321 -0.661 0 CA-C-N 115.652 -0.704 . . . . 0.0 109.792 -179.967 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 15' ' ' GLU . . . . . 0.423 ' HA ' ' O ' ' A' ' 3' ' ' ARG . 44.4 tt0 -81.39 134.69 35.6 Favored 'General case' 0 C--N 1.325 -0.458 0 CA-C-N 116.502 -0.317 . . . . 0.0 110.267 -179.831 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . -77.06 63.21 3.25 Favored Glycine 0 C--N 1.33 0.215 0 CA-C-N 116.226 -0.443 . . . . 0.0 113.125 -178.171 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 17' ' ' GLN . . . . . 0.626 ' O ' ' HE2' ' A' ' 36' ' ' LYS . 26.8 mt-30 47.14 -111.05 0.34 Allowed 'General case' 0 C--N 1.329 -0.286 0 N-CA-C 113.666 0.988 . . . . 0.0 113.666 176.489 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 1.5 t70 -148.73 -166.03 2.44 Favored 'General case' 0 C--N 1.326 -0.425 0 N-CA-C 109.743 -0.466 . . . . 0.0 109.743 -170.258 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 43.7 p90 -91.98 168.24 11.54 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-O 121.027 0.441 . . . . 0.0 111.075 179.81 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 16.0 mm100 -76.56 101.05 5.51 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 116.006 -0.543 . . . . 0.0 110.729 179.731 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 21' ' ' LEU . . . . . 0.506 HD21 ' H ' ' A' ' 21' ' ' LEU . 2.7 pt? -90.0 -12.4 38.74 Favored 'General case' 0 C--N 1.325 -0.483 0 CA-C-N 115.997 -0.547 . . . . 0.0 111.457 -178.927 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 22' ' ' TYR . . . . . 0.434 ' HB3' ' HD3' ' A' ' 23' ' ' PRO . 55.4 t80 -160.93 -55.45 0.01 OUTLIER Pre-proline 0 CA--C 1.539 0.546 0 N-CA-C 112.798 0.666 . . . . 0.0 112.798 -177.236 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 23' ' ' PRO . . . . . 0.434 ' HD3' ' HB3' ' A' ' 22' ' ' TYR . 4.0 Cg_exo -73.97 176.28 9.69 Favored 'Trans proline' 0 C--N 1.355 0.905 0 C-N-CA 121.921 1.747 . . . . 0.0 113.492 -170.902 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -118.72 -109.77 2.4 Favored Glycine 0 N--CA 1.448 -0.53 0 CA-C-N 115.736 -0.666 . . . . 0.0 112.307 179.499 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -62.17 -39.53 92.98 Favored 'General case' 0 N--CA 1.464 0.232 0 CA-C-O 120.559 0.218 . . . . 0.0 111.513 -175.81 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 60.1 tp -68.46 -40.46 81.04 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 121.012 0.435 . . . . 0.0 109.858 -179.128 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . -60.2 -55.53 29.67 Favored Glycine 0 N--CA 1.445 -0.709 0 CA-C-N 115.602 -0.726 . . . . 0.0 111.811 178.397 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 55.2 mtpt -61.55 -36.19 79.91 Favored 'General case' 0 C--N 1.325 -0.497 0 C-N-CA 121.245 -0.182 . . . . 0.0 110.949 -178.074 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 48.9 ttm-85 -54.4 -43.65 71.66 Favored 'General case' 0 C--N 1.329 -0.294 0 O-C-N 123.542 0.526 . . . . 0.0 110.839 178.557 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 30' ' ' ILE . . . . . . . . . . . . . 62.5 mt -81.41 -46.55 20.3 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.517 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.852 -179.993 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 31' ' ' TYR . . . . . 0.412 ' HA ' ' OE1' ' A' ' 17' ' ' GLN . 6.7 m-85 -65.18 -14.49 60.73 Favored 'General case' 0 C--N 1.325 -0.471 0 N-CA-C 113.487 0.921 . . . . 0.0 113.487 -172.085 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 32' ' ' ASN . . . . . . . . . . . . . 2.6 p30 -102.3 -10.42 19.53 Favored 'General case' 0 C--N 1.325 -0.46 0 C-N-CA 119.98 -0.688 . . . . 0.0 111.32 -178.453 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 33' ' ' GLU . . . . . 0.421 ' O ' ' HA ' ' A' ' 7' ' ' CYS . 42.5 mt-10 -126.02 -4.83 6.85 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 121.144 0.497 . . . . 0.0 111.466 -178.015 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 34' ' ' ILE . . . . . 0.411 ' O ' ' HG3' ' A' ' 17' ' ' GLN . 22.0 mm -121.59 136.77 57.44 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.535 0 CA-C-O 121.06 0.457 . . . . 0.0 110.344 176.747 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 13.8 t -94.97 164.63 12.82 Favored 'General case' 0 N--CA 1.445 -0.687 0 CA-C-N 116.0 -0.546 . . . . 0.0 110.1 178.545 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 36' ' ' LYS . . . . . 0.626 ' HE2' ' O ' ' A' ' 17' ' ' GLN . 66.0 mttm -56.77 -33.96 67.13 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 115.926 -0.579 . . . . 0.0 111.004 -179.946 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 33.6 t70 -62.71 -55.78 23.65 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.467 -0.333 . . . . 0.0 111.167 -179.462 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -64.34 -39.26 93.53 Favored 'General case' 0 C--N 1.326 -0.449 0 CA-C-O 120.995 0.426 . . . . 0.0 110.637 179.12 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 39' ' ' TRP . . . . . . . . . . . . . 75.1 t-105 -61.96 -51.36 68.4 Favored 'General case' 0 C--N 1.325 -0.462 0 CA-C-N 115.614 -0.721 . . . . 0.0 110.996 179.64 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -64.99 -36.58 84.88 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.401 -0.363 . . . . 0.0 111.246 -177.882 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 41.3 mt-30 -65.71 -49.12 69.68 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.259 178.052 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 42' ' ' TRP . . . . . . . . . . . . . 50.0 t-105 -70.91 -36.84 72.87 Favored 'General case' 0 C--O 1.222 -0.357 0 C-N-CA 120.442 -0.503 . . . . 0.0 110.983 -177.711 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 43' ' ' GLN . . . . . . . . . . . . . 33.6 mt-30 -55.67 -49.09 73.87 Favored 'General case' 0 CA--C 1.518 -0.264 0 CA-C-O 121.173 0.511 . . . . 0.0 110.283 174.972 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 44' ' ' HIS . . . . . . . . . . . . . 5.1 t60 -68.62 -45.81 70.93 Favored 'General case' 0 C--N 1.322 -0.609 0 CA-C-N 115.397 -0.82 . . . . 0.0 110.728 -176.301 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 45' ' ' LYS . . . . . 0.461 ' O ' ' HB3' ' A' ' 48' ' ' MET . 17.7 tppt? -65.89 -43.28 88.73 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.102 -178.765 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 46' ' ' GLN . . . . . 0.574 ' O ' HG13 ' A' ' 50' ' ' ILE . 55.5 tp60 -66.55 -31.91 72.93 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-N 116.523 -0.308 . . . . 0.0 110.48 -179.441 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 86.5 m -61.47 -40.54 94.89 Favored 'General case' 0 C--O 1.234 0.263 0 CA-C-O 120.945 0.402 . . . . 0.0 110.001 175.29 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 48' ' ' MET . . . . . 0.461 ' HB3' ' O ' ' A' ' 45' ' ' LYS . 48.9 tpp -57.41 -52.09 66.76 Favored 'General case' 0 C--N 1.332 -0.192 0 CA-C-N 115.921 -0.581 . . . . 0.0 109.748 172.775 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 10.5 mp -58.73 -39.57 81.25 Favored 'General case' 0 C--N 1.331 -0.204 0 CA-C-N 115.803 -0.635 . . . . 0.0 111.749 -179.556 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 50' ' ' ILE . . . . . 0.574 HG13 ' O ' ' A' ' 46' ' ' GLN . 75.9 mt -56.56 -49.33 78.09 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.448 0 CA-C-O 121.012 0.434 . . . . 0.0 110.461 178.394 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 51' ' ' ASN . . . . . . . . . . . . . 90.6 m-20 -70.22 -48.23 57.94 Favored 'General case' 0 C--N 1.322 -0.604 0 CA-C-N 115.986 -0.552 . . . . 0.0 111.024 -178.864 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 52' ' ' GLU . . . . . 0.46 ' HG2' ' O ' ' A' ' 48' ' ' MET . 14.3 mm-40 -65.3 -37.32 86.79 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-N 116.091 -0.504 . . . . 0.0 111.874 -175.579 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 55.0 mtmt -94.0 7.42 45.15 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.886 -0.143 . . . . 0.0 111.349 -179.182 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 31.5 mmmt 59.73 39.16 21.26 Favored 'General case' 0 N--CA 1.469 0.525 0 O-C-N 123.473 0.483 . . . . 0.0 111.611 173.881 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 43.1 mt -84.93 88.7 7.45 Favored 'General case' 0 C--N 1.324 -0.517 0 CA-C-N 116.028 -0.533 . . . . 0.0 110.938 -176.554 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 56' ' ' ASN . . . . . . . . . . . . . 28.5 p-10 -76.56 116.11 16.94 Favored 'General case' 0 C--N 1.323 -0.557 0 CA-C-O 121.6 0.714 . . . . 0.0 109.424 175.429 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 57' ' ' MET . . . . . . . . . . . . . 24.4 mmt -81.4 15.59 1.97 Allowed 'General case' 0 C--N 1.323 -0.582 0 CA-C-N 115.726 -0.67 . . . . 0.0 112.026 -170.061 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 58' ' ' MET . . . . . . . . . . . . . 88.5 mtp -86.41 -6.63 58.88 Favored 'General case' 0 C--N 1.325 -0.463 0 CA-C-O 121.308 0.575 . . . . 0.0 109.937 174.942 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 59' ' ' ASN . . . . . . . . . . . . . 45.5 m-80 -111.22 138.64 47.42 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 115.714 -0.675 . . . . 0.0 110.286 175.872 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 60' ' ' ALA . . . . . 0.53 ' O ' ' HG2' ' A' ' 64' ' ' LYS . . . -63.1 -24.18 67.78 Favored 'General case' 0 C--N 1.326 -0.446 0 CA-C-N 115.983 -0.553 . . . . 0.0 111.082 -178.471 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 11.1 mm-40 -56.52 -54.45 45.71 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 115.836 -0.62 . . . . 0.0 111.274 178.363 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 62' ' ' HIS . . . . . . . . . . . . . 88.6 m-70 -79.87 -22.3 43.04 Favored 'General case' 0 C--N 1.324 -0.539 0 CA-C-N 116.121 -0.491 . . . . 0.0 110.258 -176.691 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 63' ' ' ARG . . . . . . . . . . . . . 14.8 tpp180 -63.84 -53.18 54.69 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 115.861 -0.608 . . . . 0.0 110.487 178.519 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 64' ' ' LYS . . . . . 0.53 ' HG2' ' O ' ' A' ' 60' ' ' ALA . 16.1 pttm -69.62 -28.75 66.19 Favored 'General case' 0 C--N 1.332 -0.16 0 C-N-CA 120.69 -0.404 . . . . 0.0 110.528 177.944 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -61.81 -47.25 85.95 Favored 'General case' 0 C--N 1.329 -0.312 0 N-CA-C 109.4 -0.593 . . . . 0.0 109.4 176.204 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 28.8 tp -53.65 -49.41 67.99 Favored 'General case' 0 C--O 1.233 0.187 0 CA-C-N 115.764 -0.653 . . . . 0.0 110.645 175.367 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 67' ' ' GLU . . . . . 0.401 ' O ' HG21 ' A' ' 71' ' ' VAL . 42.1 tt0 -57.19 -51.44 69.31 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 115.186 -0.916 . . . . 0.0 110.568 178.909 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 68' ' ' GLN . . . . . . . . . . . . . 26.2 mt-30 -59.49 -43.08 93.41 Favored 'General case' 0 C--N 1.325 -0.477 0 CA-C-N 115.582 -0.735 . . . . 0.0 111.793 -177.921 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 19.3 mt-10 -65.41 -41.37 93.7 Favored 'General case' 0 C--O 1.234 0.261 0 CA-C-O 120.871 0.367 . . . . 0.0 110.538 178.607 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 70' ' ' MET . . . . . . . . . . . . . 52.8 ttm -63.74 -50.37 69.36 Favored 'General case' 0 C--N 1.331 -0.205 0 CA-C-N 115.911 -0.586 . . . . 0.0 111.368 -176.952 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 71' ' ' VAL . . . . . 0.401 HG21 ' O ' ' A' ' 67' ' ' GLU . 44.3 t -66.19 -32.94 60.34 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.351 0 CA-C-N 116.497 -0.32 . . . . 0.0 111.19 -177.763 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 47.6 m -71.35 -35.24 71.09 Favored 'General case' 0 C--N 1.325 -0.48 0 CA-C-O 120.567 0.223 . . . . 0.0 111.445 -179.483 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 73' ' ' PHE . . . . . . . . . . . . . 49.8 t80 -87.99 -57.18 3.03 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-O 120.694 0.283 . . . . 0.0 111.38 -176.522 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 74' ' ' LEU . . . . . . . . . . . . . 48.8 mt -72.85 -51.7 17.76 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.396 -0.366 . . . . 0.0 111.954 -174.144 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 75' ' ' PHE . . . . . . . . . . . . . 56.8 t80 -79.37 -42.9 24.55 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-N 116.608 -0.269 . . . . 0.0 110.332 -177.116 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 23.6 tt0 58.06 75.15 0.4 Allowed 'General case' 0 C--O 1.236 0.385 0 CA-C-O 122.01 0.909 . . . . 0.0 110.328 -177.922 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . 161.88 58.81 0.02 OUTLIER Glycine 0 N--CA 1.448 -0.529 0 CA-C-N 114.878 -1.055 . . . . 0.0 111.424 -177.287 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 78' ' ' LYS . . . . . 0.446 ' HD3' ' O ' ' A' ' 80' ' ' VAL . 1.5 pptp? -109.52 156.32 20.27 Favored 'General case' 0 C--N 1.322 -0.628 0 CA-C-O 120.72 0.295 . . . . 0.0 110.74 -178.37 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 79' ' ' ASP . . . . . . . . . . . . . 8.1 p-10 -102.24 -22.37 14.18 Favored 'General case' 0 C--N 1.324 -0.507 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.778 179.512 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 80' ' ' VAL . . . . . 0.446 ' O ' ' HD3' ' A' ' 78' ' ' LYS . 31.2 t . . . . . 0 C--N 1.326 -0.42 0 CA-C-N 115.917 -0.583 . . . . 0.0 110.798 -178.756 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 3' ' ' ARG . . . . . . . . . . . . . 12.6 ttm180 . . . . . 0 N--CA 1.448 -0.554 0 N-CA-C 109.176 -0.675 . . . . 0.0 109.176 . . . . . . . . . 0 0 . 1 . 013 nuclear orig core ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 30.0 m -68.1 113.46 5.79 Favored 'General case' 0 C--N 1.324 -0.53 0 CA-C-N 115.744 -0.662 . . . . 0.0 110.708 -179.304 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 5' ' ' ILE . . . . . . . . . . . . . 2.5 pp -123.87 160.57 27.58 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.698 0 CA-C-N 115.884 -0.598 . . . . 0.0 110.655 -179.567 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 6' ' ' PHE . . . . . . . . . . . . . 81.3 m-85 -90.34 95.35 10.14 Favored 'General case' 0 C--N 1.321 -0.657 0 N-CA-C 109.55 -0.537 . . . . 0.0 109.55 174.15 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 7' ' ' CYS . . . . . 0.403 ' HB3' ' HB2' ' A' ' 10' ' ' LEU . 50.0 t -53.64 141.06 27.19 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 115.451 -0.795 . . . . 0.0 111.215 -177.243 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 2.1 p -58.88 -39.3 80.99 Favored 'General case' 0 C--N 1.325 -0.495 0 CA-C-N 116.113 -0.494 . . . . 0.0 111.696 -178.671 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 9' ' ' TYR . . . . . . . . . . . . . 76.9 t80 -83.09 -42.13 17.76 Favored 'General case' 0 C--N 1.326 -0.439 0 CA-C-N 116.105 -0.498 . . . . 0.0 111.227 -176.939 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 10' ' ' LEU . . . . . 0.403 ' HB2' ' HB3' ' A' ' 7' ' ' CYS . 79.3 mt -81.41 -35.49 30.63 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.57 -0.286 . . . . 0.0 111.489 -174.382 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 26.2 mm-40 62.73 19.69 11.58 Favored 'General case' 0 N--CA 1.466 0.347 0 CA-C-O 121.135 0.493 . . . . 0.0 111.542 -176.97 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 78.3 mtp180 -128.76 177.01 7.37 Favored 'General case' 0 C--N 1.323 -0.556 0 CA-C-N 116.113 -0.494 . . . . 0.0 109.827 -179.303 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 5.1 m-20 -63.29 114.7 3.97 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 123.477 0.486 . . . . 0.0 110.182 176.504 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -132.56 174.19 10.53 Favored 'General case' 0 C--N 1.316 -0.876 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.599 -179.288 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 7.9 tp10 -100.99 134.85 43.36 Favored 'General case' 0 C--N 1.321 -0.652 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.758 -175.459 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . -66.65 128.48 29.65 Favored Glycine 0 N--CA 1.444 -0.789 0 C-N-CA 120.602 -0.809 . . . . 0.0 111.512 174.776 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 17' ' ' GLN . . . . . 0.519 ' O ' ' HB3' ' A' ' 31' ' ' TYR . 0.0 OUTLIER -77.58 112.69 14.63 Favored 'General case' 0 C--N 1.323 -0.579 0 CA-C-O 120.891 0.377 . . . . 0.0 110.934 -179.389 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 6.4 m-20 -95.53 94.73 7.94 Favored 'General case' 0 C--N 1.323 -0.562 0 CA-C-O 120.959 0.409 . . . . 0.0 111.222 175.868 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 24.5 m-85 -144.57 127.69 16.6 Favored 'General case' 0 C--N 1.323 -0.574 0 CA-C-N 115.454 -0.794 . . . . 0.0 110.775 178.491 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 23.6 mm-40 -136.01 28.78 3.15 Favored 'General case' 0 C--N 1.321 -0.661 0 CA-C-N 115.289 -0.869 . . . . 0.0 109.211 177.901 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 21' ' ' LEU . . . . . 0.436 ' CD1' ' H ' ' A' ' 21' ' ' LEU . 0.0 OUTLIER -73.15 -6.3 44.88 Favored 'General case' 0 N--CA 1.465 0.308 0 CA-C-N 115.279 -0.873 . . . . 0.0 111.967 -173.616 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 22' ' ' TYR . . . . . 0.489 ' HB3' ' HD3' ' A' ' 23' ' ' PRO . 90.1 t80 -159.06 -53.05 0.01 OUTLIER Pre-proline 0 C--N 1.321 -0.631 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.894 -179.983 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 23' ' ' PRO . . . . . 0.489 ' HD3' ' HB3' ' A' ' 22' ' ' TYR . 83.9 Cg_endo -86.25 169.87 8.39 Favored 'Trans proline' 0 C--N 1.356 0.949 0 C-N-CA 121.738 1.626 . . . . 0.0 112.674 178.49 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -127.19 -97.57 0.98 Allowed Glycine 0 N--CA 1.447 -0.622 0 CA-C-N 115.686 -0.688 . . . . 0.0 111.824 178.246 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 3.5 tm-20 -59.22 -57.03 14.8 Favored 'General case' 0 CA--C 1.52 -0.177 0 O-C-N 123.736 0.316 . . . . 0.0 110.286 179.518 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 45.5 tp -61.3 -32.21 72.06 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.067 -0.515 . . . . 0.0 110.469 -179.052 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . -59.94 -62.37 6.16 Favored Glycine 0 N--CA 1.447 -0.575 0 C-N-CA 120.95 -0.643 . . . . 0.0 111.837 176.297 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 67.5 mttm -58.64 -35.74 72.98 Favored 'General case' 0 C--O 1.224 -0.257 0 CA-C-O 120.878 0.37 . . . . 0.0 110.507 179.313 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 34.1 ttt85 -52.74 -44.51 66.49 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-N 115.698 -0.683 . . . . 0.0 110.858 178.938 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 30' ' ' ILE . . . . . . . . . . . . . 65.5 mt -80.24 -40.86 20.41 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 CA-C-N 115.996 -0.547 . . . . 0.0 110.686 178.561 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 31' ' ' TYR . . . . . 0.519 ' HB3' ' O ' ' A' ' 17' ' ' GLN . 19.4 m-85 -71.07 -8.86 56.35 Favored 'General case' 0 C--N 1.324 -0.524 0 N-CA-C 112.587 0.588 . . . . 0.0 112.587 -174.581 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 32' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER -88.23 -21.77 24.33 Favored 'General case' 0 C--N 1.325 -0.484 0 CA-C-O 120.923 0.392 . . . . 0.0 110.383 174.949 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 31.3 mm-40 -104.63 -24.77 12.93 Favored 'General case' 0 C--N 1.325 -0.474 0 CA-C-N 115.991 -0.55 . . . . 0.0 110.182 -179.442 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 34' ' ' ILE . . . . . 0.425 HG13 ' HB3' ' A' ' 74' ' ' LEU . 29.6 mm -115.88 138.77 45.24 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.593 0 CA-C-N 115.726 -0.67 . . . . 0.0 111.228 -175.666 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 23.1 m -114.94 -171.06 1.87 Allowed 'General case' 0 N--CA 1.445 -0.71 0 CA-C-N 115.302 -0.863 . . . . 0.0 111.085 -178.56 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 27.4 mmtp -54.76 -51.64 65.07 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 115.406 -0.815 . . . . 0.0 111.275 -175.186 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 14.5 t70 -56.89 -53.53 56.95 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 115.511 -0.768 . . . . 0.0 111.357 -173.559 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -69.36 -42.45 75.23 Favored 'General case' 0 C--N 1.324 -0.514 0 CA-C-N 115.928 -0.578 . . . . 0.0 111.54 -176.333 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 39' ' ' TRP . . . . . . . . . . . . . 74.4 t-105 -67.28 -50.56 59.85 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 120.771 0.32 . . . . 0.0 111.08 -176.593 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -61.0 -43.18 99.27 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.093 -0.503 . . . . 0.0 111.365 -176.215 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 27.3 mt-30 -69.12 -44.49 72.3 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 116.49 -0.323 . . . . 0.0 111.486 -177.71 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 42' ' ' TRP . . . . . 0.505 ' NE1' ' HA ' ' A' ' 70' ' ' MET . 32.5 t-105 -62.01 -50.75 70.82 Favored 'General case' 0 C--N 1.331 -0.23 0 C-N-CA 121.011 -0.276 . . . . 0.0 111.271 -179.621 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 43' ' ' GLN . . . . . . . . . . . . . 15.9 mm100 -62.9 -38.69 91.96 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-O 120.641 0.257 . . . . 0.0 111.008 -178.09 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 44' ' ' HIS . . . . . . . . . . . . . 80.4 t60 -64.23 -40.81 96.81 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-O 120.972 0.415 . . . . 0.0 110.213 176.6 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 22.9 tptm -64.84 -46.01 83.69 Favored 'General case' 0 C--N 1.326 -0.438 0 CA-C-N 116.087 -0.506 . . . . 0.0 110.56 179.43 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 46' ' ' GLN . . . . . 0.511 ' O ' HG13 ' A' ' 50' ' ' ILE . 8.3 tp-100 -61.48 -42.19 98.4 Favored 'General case' 0 C--N 1.326 -0.443 0 CA-C-N 116.229 -0.442 . . . . 0.0 110.435 179.333 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 40.6 m -58.5 -37.78 76.29 Favored 'General case' 0 C--N 1.332 -0.153 0 CA-C-N 116.348 -0.387 . . . . 0.0 110.901 178.483 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 48' ' ' MET . . . . . . . . . . . . . 15.9 tpt -63.82 -40.88 97.67 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.552 179.62 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 11.0 mp -69.31 -31.36 69.78 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.333 -0.394 . . . . 0.0 110.553 178.267 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 50' ' ' ILE . . . . . 0.511 HG13 ' O ' ' A' ' 46' ' ' GLN . 73.0 mt -65.47 -37.82 80.98 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.211 174.769 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 51' ' ' ASN . . . . . . . . . . . . . 13.9 m120 -71.3 -34.4 70.58 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-O 121.155 0.503 . . . . 0.0 110.237 178.218 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 32.4 tt0 -70.89 -56.32 6.53 Favored 'General case' 0 C--N 1.324 -0.506 0 CA-C-N 115.368 -0.833 . . . . 0.0 111.339 -178.256 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 51.6 mtmt -90.05 -12.69 37.77 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-N 116.008 -0.542 . . . . 0.0 111.808 -172.597 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 95.4 mttt 57.82 73.44 0.47 Allowed 'General case' 0 N--CA 1.465 0.278 0 O-C-N 123.698 0.624 . . . . 0.0 111.375 177.841 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 4.3 pp -124.3 154.9 39.58 Favored 'General case' 0 C--N 1.325 -0.489 0 CA-C-N 116.34 -0.391 . . . . 0.0 111.549 -177.057 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 56' ' ' ASN . . . . . . . . . . . . . 10.2 m120 -113.64 142.48 45.94 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.79 177.629 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 57' ' ' MET . . . . . . . . . . . . . 24.0 mmt -85.79 6.73 26.68 Favored 'General case' 0 C--N 1.325 -0.457 0 CA-C-N 116.101 -0.5 . . . . 0.0 110.646 -179.074 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 58' ' ' MET . . . . . . . . . . . . . 70.9 mtm -78.17 -10.75 59.78 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.07 -0.514 . . . . 0.0 110.633 178.588 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 59' ' ' ASN . . . . . . . . . . . . . 68.6 m-20 -104.98 145.7 30.06 Favored 'General case' 0 C--N 1.325 -0.484 0 N-CA-C 109.673 -0.492 . . . . 0.0 109.673 177.518 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 60' ' ' ALA . . . . . 0.482 ' O ' ' HG2' ' A' ' 64' ' ' LYS . . . -61.29 -27.2 68.3 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-N 116.352 -0.385 . . . . 0.0 111.094 -179.591 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 61' ' ' GLU . . . . . 0.437 ' H ' ' HG3' ' A' ' 61' ' ' GLU . 9.8 mt-10 -46.0 -56.02 6.08 Favored 'General case' 0 C--O 1.237 0.405 0 CA-C-O 121.839 0.828 . . . . 0.0 110.526 176.911 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 62' ' ' HIS . . . . . . . . . . . . . 67.0 m-70 -93.78 -18.72 21.75 Favored 'General case' 0 C--N 1.32 -0.702 0 CA-C-N 114.981 -1.009 . . . . 0.0 110.776 -170.514 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 63' ' ' ARG . . . . . 0.583 ' NH1' ' HB2' ' A' ' 67' ' ' GLU . 0.0 OUTLIER -63.54 -44.0 95.47 Favored 'General case' 0 C--N 1.33 -0.266 0 N-CA-C 109.043 -0.725 . . . . 0.0 109.043 174.484 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 64' ' ' LYS . . . . . 0.482 ' HG2' ' O ' ' A' ' 60' ' ' ALA . 20.3 pttp -75.12 -29.36 60.54 Favored 'General case' 0 N--CA 1.455 -0.18 0 CA-C-N 116.368 -0.378 . . . . 0.0 110.416 176.654 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 44.8 tp -56.02 -57.54 11.69 Favored 'General case' 0 C--O 1.233 0.222 0 CA-C-O 120.687 0.279 . . . . 0.0 110.422 174.061 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 10.1 tt -61.26 -40.06 92.67 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.011 -0.541 . . . . 0.0 109.892 179.063 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 67' ' ' GLU . . . . . 0.583 ' HB2' ' NH1' ' A' ' 63' ' ' ARG . 18.3 tp10 -49.92 -59.4 3.9 Favored 'General case' 0 C--O 1.239 0.522 0 CA-C-O 121.411 0.625 . . . . 0.0 110.613 175.374 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 68' ' ' GLN . . . . . . . . . . . . . 56.2 mt-30 -57.06 -60.95 2.84 Favored 'General case' 0 C--N 1.325 -0.475 0 CA-C-N 115.059 -0.973 . . . . 0.0 110.87 -179.022 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 69' ' ' GLU . . . . . 0.438 ' HB3' ' CZ2' ' A' ' 42' ' ' TRP . 5.6 mm-40 -61.43 -43.73 98.36 Favored 'General case' 0 C--N 1.325 -0.469 0 N-CA-C 112.899 0.703 . . . . 0.0 112.899 -172.814 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 70' ' ' MET . . . . . 0.505 ' HA ' ' NE1' ' A' ' 42' ' ' TRP . 59.9 ttp -61.12 -59.23 5.66 Favored 'General case' 0 CA--C 1.518 -0.251 0 CA-C-O 120.589 0.233 . . . . 0.0 111.185 -176.345 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 71' ' ' VAL . . . . . 0.493 ' HB ' ' HD2' ' A' ' 78' ' ' LYS . 59.2 t -67.79 -22.77 28.56 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.42 0 CA-C-O 121.016 0.436 . . . . 0.0 110.732 -176.919 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 17.1 t -74.55 -54.83 6.73 Favored 'General case' 0 C--O 1.22 -0.5 0 O-C-N 122.013 -0.43 . . . . 0.0 110.394 177.722 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 73' ' ' PHE . . . . . . . . . . . . . 68.2 t80 -64.01 -28.19 69.63 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-O 120.982 0.42 . . . . 0.0 111.11 -176.837 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 74' ' ' LEU . . . . . 0.425 ' HB3' HG13 ' A' ' 34' ' ' ILE . 93.3 mt -94.66 -28.46 15.34 Favored 'General case' 0 C--N 1.323 -0.563 0 N-CA-C 112.626 0.602 . . . . 0.0 112.626 -175.15 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 75' ' ' PHE . . . . . 0.473 ' HB2' ' O ' ' A' ' 71' ' ' VAL . 77.4 m-85 -115.95 -43.7 2.97 Favored 'General case' 0 N--CA 1.468 0.463 0 O-C-N 122.037 -0.414 . . . . 0.0 112.004 -178.615 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 6.5 mm-40 65.05 101.09 0.04 OUTLIER 'General case' 0 N--CA 1.463 0.221 0 O-C-N 123.735 0.647 . . . . 0.0 111.743 -175.946 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . 128.31 48.03 0.17 Allowed Glycine 0 N--CA 1.448 -0.552 0 C-N-CA 120.728 -0.748 . . . . 0.0 112.583 178.201 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 78' ' ' LYS . . . . . 0.493 ' HD2' ' HB ' ' A' ' 71' ' ' VAL . 42.2 mtpt -78.68 170.46 16.62 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 121.156 0.503 . . . . 0.0 111.064 179.539 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 79' ' ' ASP . . . . . . . . . . . . . 50.6 m-20 -90.75 -24.85 20.25 Favored 'General case' 0 C--N 1.323 -0.548 0 N-CA-C 109.336 -0.616 . . . . 0.0 109.336 173.14 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 80' ' ' VAL . . . . . . . . . . . . . 46.4 t . . . . . 0 C--N 1.328 -0.344 0 CA-C-N 115.366 -0.834 . . . . 0.0 109.064 172.923 . . . . . . . . 0 0 . 1 . 014 nuclear orig core ' A' A ' 3' ' ' ARG . . . . . . . . . . . . . 59.8 ttp180 . . . . . 0 N--CA 1.45 -0.432 0 N-CA-C 108.779 -0.823 . . . . 0.0 108.779 . . . . . . . . . 0 0 . 1 . 014 nuclear orig core ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 1.7 m -93.65 125.43 38.26 Favored 'General case' 0 C--N 1.318 -0.789 0 CA-C-N 115.542 -0.754 . . . . 0.0 110.23 -175.739 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 5' ' ' ILE . . . . . . . . . . . . . 2.7 pp -129.75 174.03 13.2 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.571 0 CA-C-O 120.986 0.422 . . . . 0.0 111.317 -175.184 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 6' ' ' PHE . . . . . . . . . . . . . 98.7 m-85 -92.59 106.09 18.13 Favored 'General case' 0 C--N 1.321 -0.656 0 N-CA-C 109.54 -0.541 . . . . 0.0 109.54 175.373 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 7' ' ' CYS . . . . . 0.572 ' SG ' ' HB2' ' A' ' 10' ' ' LEU . 13.8 p -82.4 140.15 33.63 Favored 'General case' 0 C--N 1.323 -0.582 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.662 -177.968 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 12.7 p -75.36 -20.27 59.1 Favored 'General case' 0 C--N 1.326 -0.442 0 N-CA-C 112.644 0.609 . . . . 0.0 112.644 -175.635 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 9' ' ' TYR . . . . . . . . . . . . . 47.1 t80 -74.71 -50.05 18.93 Favored 'General case' 0 C--N 1.327 -0.398 0 C-N-CA 120.683 -0.407 . . . . 0.0 110.732 178.239 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 10' ' ' LEU . . . . . 0.572 ' HB2' ' SG ' ' A' ' 7' ' ' CYS . 68.7 mt -86.59 -19.16 29.79 Favored 'General case' 0 C--N 1.325 -0.468 0 CA-C-N 116.459 -0.337 . . . . 0.0 110.578 -179.018 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 74.4 mm-40 63.13 28.11 15.91 Favored 'General case' 0 C--O 1.233 0.194 0 CA-C-N 115.684 -0.689 . . . . 0.0 111.166 179.713 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 29.5 ptt180 -155.27 176.73 12.19 Favored 'General case' 0 N--CA 1.448 -0.54 0 CA-C-O 121.211 0.529 . . . . 0.0 111.295 177.948 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 20.7 t70 -66.51 123.97 21.49 Favored 'General case' 0 C--N 1.323 -0.561 0 CA-C-N 114.707 -1.133 . . . . 0.0 111.853 -173.441 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -156.5 168.03 28.63 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.279 -179.167 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 15' ' ' GLU . . . . . 0.537 ' O ' ' HA ' ' A' ' 35' ' ' SER . 9.1 mp0 -70.01 125.3 26.34 Favored 'General case' 0 CA--C 1.514 -0.432 0 N-CA-C 110.188 -0.301 . . . . 0.0 110.188 -179.274 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . -71.66 160.42 54.05 Favored Glycine 0 N--CA 1.447 -0.624 0 C-N-CA 120.579 -0.82 . . . . 0.0 111.44 177.057 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 17' ' ' GLN . . . . . 0.462 ' NE2' ' HA ' ' A' ' 36' ' ' LYS . 9.3 tp-100 -66.54 163.61 18.3 Favored 'General case' 0 C--N 1.327 -0.412 0 N-CA-C 109.321 -0.622 . . . . 0.0 109.321 177.902 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 11.5 t70 -73.71 -94.29 0.02 OUTLIER 'General case' 0 C--N 1.327 -0.371 0 N-CA-C 112.849 0.685 . . . . 0.0 112.849 -168.32 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 24.2 m-85 -147.74 -171.55 3.84 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 121.07 0.462 . . . . 0.0 111.94 -174.443 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 13.9 mm100 -70.87 93.88 1.01 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 115.249 -0.887 . . . . 0.0 110.921 -178.106 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -107.58 -2.49 20.25 Favored 'General case' 0 C--N 1.321 -0.659 0 CA-C-N 115.955 -0.566 . . . . 0.0 111.498 179.27 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 22' ' ' TYR . . . . . 0.483 ' HB3' ' HD3' ' A' ' 23' ' ' PRO . 71.1 t80 -168.28 -54.54 0.0 OUTLIER Pre-proline 0 CA--C 1.538 0.509 0 N-CA-C 112.519 0.563 . . . . 0.0 112.519 -179.428 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 23' ' ' PRO . . . . . 0.483 ' HD3' ' HB3' ' A' ' 22' ' ' TYR . 2.8 Cg_endo -84.47 -178.61 3.44 Favored 'Trans proline' 0 C--N 1.357 0.985 0 C-N-CA 122.133 1.889 . . . . 0.0 112.736 -174.112 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -111.09 -128.16 5.26 Favored Glycine 0 N--CA 1.45 -0.381 0 C-N-CA 120.968 -0.634 . . . . 0.0 112.962 -177.946 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -58.89 -46.81 86.94 Favored 'General case' 0 N--CA 1.465 0.289 0 N-CA-C 112.497 0.554 . . . . 0.0 112.497 -174.422 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 91.3 mt -64.46 -34.55 78.46 Favored 'General case' 0 C--N 1.326 -0.455 0 CA-C-O 120.714 0.292 . . . . 0.0 110.35 179.4 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 27' ' ' GLY . . . . . 0.416 ' HA3' ' HB2' ' A' ' 23' ' ' PRO . . . -60.09 -55.87 27.85 Favored Glycine 0 N--CA 1.445 -0.766 0 C-N-CA 120.771 -0.728 . . . . 0.0 111.794 178.383 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 47.6 pttt -64.33 -35.65 81.57 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.585 0.231 . . . . 0.0 110.69 -177.934 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 59.8 ttt180 -57.99 -54.99 40.68 Favored 'General case' 0 N--CA 1.454 -0.263 0 N-CA-C 109.991 -0.374 . . . . 0.0 109.991 177.512 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 30' ' ' ILE . . . . . . . . . . . . . 88.2 mt -62.57 -37.65 79.45 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.422 0 CA-C-N 115.661 -0.7 . . . . 0.0 110.858 -179.34 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 31' ' ' TYR . . . . . . . . . . . . . 15.5 m-30 -61.68 -26.51 68.07 Favored 'General case' 0 C--N 1.327 -0.384 0 N-CA-C 111.749 0.278 . . . . 0.0 111.749 -179.191 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 32' ' ' ASN . . . . . . . . . . . . . 26.5 m-80 -87.72 -5.65 58.57 Favored 'General case' 0 C--N 1.326 -0.449 0 N-CA-C 112.063 0.394 . . . . 0.0 112.063 -179.7 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 33' ' ' GLU . . . . . 0.442 ' O ' ' HA ' ' A' ' 7' ' ' CYS . 8.7 pt-20 -132.43 13.93 4.55 Favored 'General case' 0 C--N 1.326 -0.439 0 CA-C-O 121.125 0.488 . . . . 0.0 111.178 178.612 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 34' ' ' ILE . . . . . . . . . . . . . 11.7 mm -135.14 133.61 53.11 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.424 0 CA-C-O 121.256 0.551 . . . . 0.0 110.665 178.025 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 35' ' ' SER . . . . . 0.537 ' HA ' ' O ' ' A' ' 15' ' ' GLU . 15.6 t -74.28 158.2 34.47 Favored 'General case' 0 C--N 1.323 -0.578 0 CA-C-N 115.144 -0.934 . . . . 0.0 111.88 -176.207 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 36' ' ' LYS . . . . . 0.462 ' HA ' ' NE2' ' A' ' 17' ' ' GLN . 32.1 mmtp -50.85 -42.49 58.7 Favored 'General case' 0 C--O 1.232 0.159 0 CA-C-N 115.269 -0.878 . . . . 0.0 109.67 169.993 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 2.5 m-20 -64.77 -56.81 11.31 Favored 'General case' 0 CA--C 1.518 -0.281 0 CA-C-N 115.186 -0.916 . . . . 0.0 110.472 179.373 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -56.83 -44.91 82.53 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 115.642 -0.708 . . . . 0.0 112.056 -175.325 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 39' ' ' TRP . . . . . . . . . . . . . 76.8 t-105 -64.08 -43.54 95.11 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-O 120.981 0.42 . . . . 0.0 110.732 -178.953 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -67.58 -40.52 84.84 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 115.938 -0.574 . . . . 0.0 110.753 -179.55 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 90.4 mt-30 -57.7 -45.6 85.46 Favored 'General case' 0 C--N 1.331 -0.21 0 CA-C-N 115.822 -0.626 . . . . 0.0 111.166 178.992 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 42' ' ' TRP . . . . . . . . . . . . . 25.1 t-105 -62.64 -49.48 75.01 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.444 -0.343 . . . . 0.0 111.189 -179.901 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 43' ' ' GLN . . . . . . . . . . . . . 41.2 mt-30 -60.42 -42.56 96.28 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-O 120.914 0.388 . . . . 0.0 110.29 179.771 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 44' ' ' HIS . . . . . . . . . . . . . 8.2 t-160 -60.18 -47.49 85.72 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 115.769 -0.65 . . . . 0.0 110.105 179.383 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 17.3 tppt? -61.44 -52.42 64.61 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 115.434 -0.803 . . . . 0.0 110.738 178.727 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 46' ' ' GLN . . . . . 0.556 ' O ' HG13 ' A' ' 50' ' ' ILE . 6.6 tp-100 -62.93 -37.25 86.26 Favored 'General case' 0 C--O 1.22 -0.461 0 CA-C-N 116.347 -0.388 . . . . 0.0 111.297 -176.476 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 89.0 m -56.42 -44.92 80.82 Favored 'General case' 0 C--O 1.237 0.422 0 CA-C-O 121.198 0.523 . . . . 0.0 110.421 176.919 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 48' ' ' MET . . . . . . . . . . . . . 26.9 ttt -63.0 -44.64 95.46 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 115.74 -0.664 . . . . 0.0 110.007 176.425 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 8.5 mp -61.51 -38.33 86.95 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 115.961 -0.563 . . . . 0.0 111.747 -179.835 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 50' ' ' ILE . . . . . 0.556 HG13 ' O ' ' A' ' 46' ' ' GLN . 76.4 mt -62.71 -36.71 76.58 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.428 0 CA-C-O 120.75 0.31 . . . . 0.0 110.458 178.176 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 51' ' ' ASN . . . . . . . . . . . . . 87.7 m-20 -76.44 -26.99 56.04 Favored 'General case' 0 C--N 1.323 -0.555 0 CA-C-N 116.381 -0.372 . . . . 0.0 111.208 178.449 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 13.3 mm-40 -84.09 -48.65 9.66 Favored 'General case' 0 C--N 1.324 -0.536 0 CA-C-N 116.344 -0.389 . . . . 0.0 111.397 -179.453 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 93.9 mttt -73.33 -28.95 62.36 Favored 'General case' 0 C--N 1.324 -0.502 0 N-CA-C 109.568 -0.53 . . . . 0.0 109.568 178.447 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 97.3 mttt 51.33 77.39 0.14 Allowed 'General case' 0 C--O 1.234 0.248 0 CA-C-N 115.128 -0.942 . . . . 0.0 111.077 -175.028 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 55' ' ' LEU . . . . . 0.433 HD11 ' O ' ' A' ' 55' ' ' LEU . 2.8 pp -126.0 155.31 41.64 Favored 'General case' 0 C--N 1.322 -0.601 0 CA-C-N 114.697 -1.138 . . . . 0.0 110.866 -177.137 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 56' ' ' ASN . . . . . . . . . . . . . 9.2 m120 -98.39 119.82 37.73 Favored 'General case' 0 C--N 1.323 -0.584 0 CA-C-N 115.805 -0.634 . . . . 0.0 109.834 179.13 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 57' ' ' MET . . . . . . . . . . . . . 21.1 mmt -74.41 -7.26 52.31 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-O 120.97 0.414 . . . . 0.0 111.165 179.25 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 58' ' ' MET . . . . . . . . . . . . . 1.9 mpt? -64.78 -32.53 74.26 Favored 'General case' 0 C--N 1.327 -0.413 0 CA-C-N 115.941 -0.572 . . . . 0.0 110.402 176.666 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 59' ' ' ASN . . . . . . . . . . . . . 15.1 m120 -81.61 136.31 35.54 Favored 'General case' 0 C--N 1.325 -0.477 0 CA-C-N 115.936 -0.574 . . . . 0.0 110.32 -179.181 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -58.73 -30.39 67.43 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.15 -179.433 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 48.5 mt-10 -46.28 -55.99 6.43 Favored 'General case' 0 N--CA 1.464 0.244 0 CA-C-N 115.682 -0.69 . . . . 0.0 111.233 174.958 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 62' ' ' HIS . . . . . . . . . . . . . 29.2 m80 -85.38 -21.07 29.01 Favored 'General case' 0 C--N 1.323 -0.562 0 CA-C-N 115.206 -0.906 . . . . 0.0 110.847 -171.961 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 63' ' ' ARG . . . . . . . . . . . . . 22.7 tpp180 -65.28 -50.44 65.73 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.225 178.345 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 64' ' ' LYS . . . . . 0.546 ' O ' ' HG3' ' A' ' 68' ' ' GLN . 45.4 pttt -75.13 -26.77 59.44 Favored 'General case' 0 C--N 1.327 -0.387 0 C-N-CA 120.37 -0.532 . . . . 0.0 109.973 179.081 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 65' ' ' LEU . . . . . 0.421 ' O ' ' HG3' ' A' ' 69' ' ' GLU . 60.9 tp -59.42 -46.42 88.77 Favored 'General case' 0 C--O 1.233 0.196 0 N-CA-C 109.749 -0.463 . . . . 0.0 109.749 174.868 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 54.7 tp -54.87 -46.1 74.67 Favored 'General case' 0 N--CA 1.454 -0.25 0 CA-C-N 115.663 -0.699 . . . . 0.0 110.435 174.774 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 67' ' ' GLU . . . . . 0.464 ' O ' HG23 ' A' ' 71' ' ' VAL . 35.8 tt0 -59.07 -50.95 72.1 Favored 'General case' 0 C--N 1.331 -0.239 0 CA-C-N 115.973 -0.558 . . . . 0.0 110.826 178.248 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 68' ' ' GLN . . . . . 0.546 ' HG3' ' O ' ' A' ' 64' ' ' LYS . 23.4 mt-30 -58.94 -44.66 91.44 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.36 -0.382 . . . . 0.0 111.193 -177.836 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 69' ' ' GLU . . . . . 0.421 ' HG3' ' O ' ' A' ' 65' ' ' LEU . 33.2 mt-10 -66.44 -39.16 88.73 Favored 'General case' 0 C--N 1.331 -0.198 0 CA-C-O 120.873 0.368 . . . . 0.0 110.239 178.618 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 70' ' ' MET . . . . . . . . . . . . . 49.8 ttm -62.54 -48.55 79.03 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.847 179.961 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 71' ' ' VAL . . . . . 0.464 HG23 ' O ' ' A' ' 67' ' ' GLU . 59.5 t -65.88 -24.69 34.6 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 CA-C-N 115.741 -0.663 . . . . 0.0 110.57 -179.772 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 9.3 t -79.71 -33.54 40.86 Favored 'General case' 0 C--N 1.323 -0.56 0 CA-C-O 120.832 0.348 . . . . 0.0 110.673 178.746 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 73' ' ' PHE . . . . . . . . . . . . . 64.0 t80 -86.58 -51.39 6.19 Favored 'General case' 0 C--N 1.324 -0.535 0 CA-C-N 116.326 -0.397 . . . . 0.0 111.522 -174.871 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 74' ' ' LEU . . . . . . . . . . . . . 96.1 mt -92.56 -36.95 12.74 Favored 'General case' 0 C--N 1.324 -0.517 0 N-CA-C 112.087 0.403 . . . . 0.0 112.087 -172.992 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 75' ' ' PHE . . . . . 0.411 ' HB3' ' O ' ' A' ' 71' ' ' VAL . 21.3 t80 -90.73 -42.7 10.56 Favored 'General case' 0 C--N 1.323 -0.544 0 CA-C-N 116.362 -0.381 . . . . 0.0 110.929 -172.477 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 21.8 mm-40 63.28 24.25 14.19 Favored 'General case' 0 N--CA 1.467 0.397 0 CA-C-N 115.851 -0.613 . . . . 0.0 111.488 -179.01 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . -134.76 65.78 0.57 Allowed Glycine 0 N--CA 1.448 -0.504 0 N-CA-C 111.375 -0.69 . . . . 0.0 111.375 177.452 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 78' ' ' LYS . . . . . 0.405 ' HD3' ' O ' ' A' ' 78' ' ' LYS . 0.0 OUTLIER -119.79 128.98 54.23 Favored 'General case' 0 C--N 1.323 -0.575 0 CA-C-O 121.296 0.569 . . . . 0.0 111.517 -176.235 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 79' ' ' ASP . . . . . . . . . . . . . 7.7 m-20 -101.12 -21.02 15.08 Favored 'General case' 0 C--N 1.321 -0.641 0 CA-C-N 115.387 -0.824 . . . . 0.0 109.987 178.45 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 80' ' ' VAL . . . . . . . . . . . . . 18.9 t . . . . . 0 C--N 1.329 -0.285 0 CA-C-N 115.567 -0.742 . . . . 0.0 110.567 -178.517 . . . . . . . . 0 0 . 1 . 015 nuclear orig core ' A' A ' 3' ' ' ARG . . . . . . . . . . . . . 17.9 ptp180 . . . . . 0 C--O 1.231 0.097 0 CA-C-O 120.972 0.415 . . . . 0.0 110.495 . . . . . . . . . 0 0 . 1 . 015 nuclear orig core ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 9.0 p -86.58 104.01 15.62 Favored 'General case' 0 C--N 1.322 -0.594 0 CA-C-N 115.835 -0.62 . . . . 0.0 110.6 179.647 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 5' ' ' ILE . . . . . . . . . . . . . 2.8 pp -118.04 167.44 11.26 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.667 0 CA-C-N 115.778 -0.646 . . . . 0.0 111.468 -174.809 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 6' ' ' PHE . . . . . . . . . . . . . 99.5 m-85 -93.23 101.15 13.41 Favored 'General case' 0 C--N 1.323 -0.555 0 CA-C-N 116.215 -0.448 . . . . 0.0 109.81 178.248 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 7' ' ' CYS . . . . . 0.425 ' HA ' ' O ' ' A' ' 33' ' ' GLU . 53.5 t -72.7 130.57 40.82 Favored 'General case' 0 C--N 1.324 -0.512 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.69 -178.053 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 3.6 p -64.65 -41.34 96.18 Favored 'General case' 0 C--N 1.326 -0.45 0 CA-C-N 116.088 -0.506 . . . . 0.0 112.006 -178.262 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 9' ' ' TYR . . . . . . . . . . . . . 66.1 t80 -75.48 -37.94 59.91 Favored 'General case' 0 C--N 1.324 -0.508 0 CA-C-N 116.458 -0.337 . . . . 0.0 111.102 -176.612 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 98.6 mt -84.93 -32.95 22.81 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.569 -0.287 . . . . 0.0 111.73 -177.143 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 86.0 mm-40 62.71 32.15 16.28 Favored 'General case' 0 N--CA 1.464 0.244 0 CA-C-O 121.461 0.648 . . . . 0.0 110.041 -174.156 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 27.9 mmt180 -135.52 176.37 8.74 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 115.105 -0.952 . . . . 0.0 109.627 -179.657 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 10.8 m-20 -84.75 121.6 27.92 Favored 'General case' 0 C--N 1.324 -0.531 0 N-CA-C 108.968 -0.753 . . . . 0.0 108.968 173.961 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -140.95 173.34 11.58 Favored 'General case' 0 C--N 1.318 -0.783 0 CA-C-N 116.433 -0.348 . . . . 0.0 110.296 -178.087 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 15' ' ' GLU . . . . . 0.431 ' C ' ' H ' ' A' ' 17' ' ' GLN . 11.3 pt-20 -78.23 144.02 36.61 Favored 'General case' 0 C--N 1.323 -0.545 0 N-CA-C 110.078 -0.341 . . . . 0.0 110.078 179.601 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . -77.49 41.01 1.82 Allowed Glycine 0 C--O 1.229 -0.166 0 C-N-CA 121.183 -0.532 . . . . 0.0 112.792 179.045 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 17' ' ' GLN . . . . . 0.431 ' H ' ' C ' ' A' ' 15' ' ' GLU . 15.8 pt20 43.75 -151.94 0.03 OUTLIER 'General case' 0 CA--C 1.541 0.623 0 C-N-CA 124.766 1.227 . . . . 0.0 113.391 175.625 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 2.5 m-20 -68.77 176.49 3.0 Favored 'General case' 0 N--CA 1.465 0.303 0 CA-C-O 121.534 0.683 . . . . 0.0 112.338 -177.856 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 63.0 t80 -90.78 164.12 14.21 Favored 'General case' 0 C--N 1.324 -0.503 0 CA-C-N 115.297 -0.865 . . . . 0.0 110.198 179.77 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 15.4 mm100 -44.92 127.54 6.51 Favored 'General case' 0 N--CA 1.465 0.321 0 O-C-N 123.81 0.694 . . . . 0.0 112.109 178.026 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 3.4 mp -101.84 -69.62 0.78 Allowed 'General case' 0 C--N 1.326 -0.415 0 CA-C-N 116.011 -0.54 . . . . 0.0 109.597 178.604 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 22' ' ' TYR . . . . . 0.473 ' H ' ' HD2' ' A' ' 23' ' ' PRO . 58.6 m-85 -140.71 -44.43 0.02 OUTLIER Pre-proline 0 C--N 1.326 -0.451 0 CA-C-N 115.567 -0.742 . . . . 0.0 111.963 -178.267 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 23' ' ' PRO . . . . . 0.473 ' HD2' ' H ' ' A' ' 22' ' ' TYR . 48.1 Cg_exo -58.06 136.81 77.3 Favored 'Trans proline' 0 C--N 1.359 1.081 0 C-N-CA 121.646 1.564 . . . . 0.0 111.822 174.296 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -89.24 -111.88 1.28 Allowed Glycine 0 N--CA 1.449 -0.485 0 C-N-CA 120.916 -0.659 . . . . 0.0 113.402 -171.794 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 29.9 mm-40 -64.58 -37.1 86.39 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.803 0.335 . . . . 0.0 110.993 -175.38 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 56.6 tp -69.1 -36.13 77.21 Favored 'General case' 0 C--N 1.323 -0.573 0 CA-C-N 116.311 -0.404 . . . . 0.0 110.0 177.414 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 27' ' ' GLY . . . . . 0.455 ' HA3' ' HB2' ' A' ' 23' ' ' PRO . . . -61.71 -57.62 16.83 Favored Glycine 0 N--CA 1.448 -0.557 0 C-N-CA 120.972 -0.632 . . . . 0.0 112.15 179.073 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 17.6 ptpt -60.47 -31.13 70.16 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-O 120.829 0.347 . . . . 0.0 110.905 -178.657 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 78.7 ttt180 -62.28 -39.26 92.38 Favored 'General case' 0 C--N 1.332 -0.193 0 CA-C-N 115.837 -0.62 . . . . 0.0 110.443 178.558 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 30' ' ' ILE . . . . . . . . . . . . . 70.5 mt -79.23 -43.6 24.0 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.565 0 CA-C-N 116.303 -0.408 . . . . 0.0 110.264 179.13 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 31' ' ' TYR . . . . . 0.422 ' HE1' ' CH2' ' A' ' 39' ' ' TRP . 16.7 m-30 -65.54 -28.21 69.0 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.151 -0.477 . . . . 0.0 112.261 -173.628 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 32' ' ' ASN . . . . . . . . . . . . . 0.0 OUTLIER -93.23 1.36 57.1 Favored 'General case' 0 C--N 1.329 -0.322 0 C-N-CA 120.112 -0.635 . . . . 0.0 111.535 -177.82 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 33' ' ' GLU . . . . . 0.425 ' O ' ' HA ' ' A' ' 7' ' ' CYS . 45.4 mt-10 -124.1 0.96 8.53 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-O 121.436 0.636 . . . . 0.0 110.277 176.074 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 34' ' ' ILE . . . . . 0.424 HG13 ' HB3' ' A' ' 74' ' ' LEU . 9.3 mm -129.97 139.57 51.17 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.507 0 CA-C-N 115.407 -0.815 . . . . 0.0 109.804 176.597 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 9.4 t -100.46 171.08 7.96 Favored 'General case' 0 N--CA 1.442 -0.833 0 CA-C-O 121.558 0.694 . . . . 0.0 111.199 -179.501 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 19.9 ttmm -58.14 -32.58 68.29 Favored 'General case' 0 C--N 1.317 -0.815 0 CA-C-N 114.363 -1.289 . . . . 0.0 112.223 -177.204 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 5.8 p-10 -70.95 -40.21 72.13 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-O 120.844 0.354 . . . . 0.0 110.557 -177.352 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -79.29 -38.4 35.44 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.897 179.803 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 39' ' ' TRP . . . . . 0.422 ' CH2' ' HE1' ' A' ' 31' ' ' TYR . 72.2 t-105 -61.43 -49.07 78.31 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 115.879 -0.6 . . . . 0.0 110.488 179.672 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -66.81 -36.89 83.42 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.525 179.668 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 6.3 tp-100 -56.3 -53.66 54.62 Favored 'General case' 0 C--O 1.233 0.204 0 CA-C-N 115.677 -0.692 . . . . 0.0 110.943 178.216 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 42' ' ' TRP . . . . . 0.535 ' HE1' ' HA ' ' A' ' 70' ' ' MET . 40.6 t-105 -79.28 -34.27 42.65 Favored 'General case' 0 N--CA 1.451 -0.401 0 C-N-CA 120.414 -0.514 . . . . 0.0 111.798 -173.294 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 43' ' ' GLN . . . . . . . . . . . . . 30.9 mt-30 -63.86 -39.99 95.5 Favored 'General case' 0 C--N 1.33 -0.278 0 C-N-CA 120.206 -0.598 . . . . 0.0 110.917 177.527 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 44' ' ' HIS . . . . . . . . . . . . . 69.7 t60 -63.04 -47.44 82.99 Favored 'General case' 0 C--N 1.324 -0.536 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.268 179.161 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 57.7 tptt -69.31 -42.63 75.14 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 115.635 -0.711 . . . . 0.0 111.078 -178.226 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 46' ' ' GLN . . . . . 0.531 ' O ' HG13 ' A' ' 50' ' ' ILE . 59.0 tp60 -61.21 -43.72 98.43 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 116.381 -0.372 . . . . 0.0 110.681 -179.505 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 29.7 m -61.32 -39.04 89.03 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.938 0.399 . . . . 0.0 110.437 179.05 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 48' ' ' MET . . . . . . . . . . . . . 52.2 tpp -68.21 -36.96 80.35 Favored 'General case' 0 C--N 1.332 -0.193 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.068 177.643 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 4.1 mp -63.33 -41.05 98.87 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.114 -0.493 . . . . 0.0 110.695 175.757 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 50' ' ' ILE . . . . . 0.531 HG13 ' O ' ' A' ' 46' ' ' GLN . 81.7 mt -62.08 -42.05 93.49 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.436 0 CA-C-O 121.064 0.459 . . . . 0.0 110.333 176.661 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 51' ' ' ASN . . . . . . . . . . . . . 26.1 t-20 -66.58 -35.83 81.16 Favored 'General case' 0 C--N 1.325 -0.488 0 CA-C-N 115.592 -0.731 . . . . 0.0 111.009 178.12 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 3.6 mm-40 -80.29 -46.99 15.24 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-N 115.868 -0.605 . . . . 0.0 112.405 -177.239 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 66.6 mttm -74.04 -22.09 59.69 Favored 'General case' 0 C--N 1.324 -0.536 0 N-CA-C 109.863 -0.421 . . . . 0.0 109.863 179.325 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 49.5 mttm 58.9 41.84 20.61 Favored 'General case' 0 CA--C 1.521 -0.153 0 CA-C-N 115.248 -0.887 . . . . 0.0 110.58 178.0 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 3.6 pp -88.73 150.76 22.81 Favored 'General case' 0 C--N 1.323 -0.545 0 CA-C-N 114.861 -1.063 . . . . 0.0 110.507 -178.624 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 56' ' ' ASN . . . . . . . . . . . . . 11.1 m120 -112.61 135.68 53.04 Favored 'General case' 0 C--N 1.324 -0.535 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.201 -179.001 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 57' ' ' MET . . . . . . . . . . . . . 1.2 mpt? -75.82 -1.18 23.98 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 115.836 -0.62 . . . . 0.0 110.088 175.596 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 58' ' ' MET . . . . . . . . . . . . . 81.2 mtp -63.95 -30.29 71.38 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 114.845 -1.07 . . . . 0.0 109.922 175.059 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 59' ' ' ASN . . . . . . . . . . . . . 3.9 m-20 -102.26 131.37 48.87 Favored 'General case' 0 C--O 1.238 0.452 0 CA-C-N 115.491 -0.777 . . . . 0.0 109.829 177.977 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -59.71 -27.33 66.36 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 116.147 -0.478 . . . . 0.0 111.924 -175.71 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 13.2 mm-40 -59.74 -30.66 68.99 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.309 -0.405 . . . . 0.0 111.587 179.945 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 62' ' ' HIS . . . . . . . . . . . . . 95.9 m-70 -92.24 -15.1 27.95 Favored 'General case' 0 C--N 1.322 -0.628 0 C-N-CA 120.363 -0.535 . . . . 0.0 110.892 -178.408 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 63' ' ' ARG . . . . . . . . . . . . . 5.4 tpm_? -73.34 -49.67 26.11 Favored 'General case' 0 C--N 1.324 -0.512 0 N-CA-C 109.074 -0.713 . . . . 0.0 109.074 172.403 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 16.9 ptpt -64.29 -29.38 70.47 Favored 'General case' 0 C--N 1.332 -0.184 0 CA-C-N 115.823 -0.626 . . . . 0.0 110.198 176.727 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -66.31 -44.88 82.17 Favored 'General case' 0 CA--C 1.532 0.264 0 CA-C-N 116.084 -0.507 . . . . 0.0 110.052 176.339 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 5.2 tt -59.49 -45.27 92.15 Favored 'General case' 0 C--O 1.236 0.343 0 N-CA-C 109.476 -0.564 . . . . 0.0 109.476 178.249 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -54.22 -49.98 68.19 Favored 'General case' 0 C--N 1.332 -0.168 0 CA-C-N 115.747 -0.661 . . . . 0.0 110.37 173.888 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 68' ' ' GLN . . . . . . . . . . . . . 42.9 mt-30 -55.59 -60.64 3.14 Favored 'General case' 0 C--N 1.326 -0.45 0 CA-C-N 116.019 -0.537 . . . . 0.0 112.252 -179.108 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 48.1 mt-10 -59.27 -47.23 86.13 Favored 'General case' 0 C--O 1.235 0.336 0 CA-C-O 120.981 0.42 . . . . 0.0 111.662 -173.798 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 70' ' ' MET . . . . . 0.535 ' HA ' ' HE1' ' A' ' 42' ' ' TRP . 48.2 ttm -65.72 -46.99 76.86 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-N 116.268 -0.424 . . . . 0.0 111.735 -176.104 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 71' ' ' VAL . . . . . . . . . . . . . 61.6 t -69.61 -27.27 33.14 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.43 0 C-N-CA 120.918 -0.313 . . . . 0.0 110.781 -177.717 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 72' ' ' SER . . . . . 0.461 ' OG ' ' HD2' ' A' ' 78' ' ' LYS . 24.6 m -65.79 -46.14 79.77 Favored 'General case' 0 N--CA 1.465 0.281 0 CA-C-O 120.82 0.343 . . . . 0.0 111.755 177.866 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 73' ' ' PHE . . . . . . . . . . . . . 46.5 t80 -81.84 -39.3 24.16 Favored 'General case' 0 C--N 1.325 -0.475 0 CA-C-N 116.114 -0.494 . . . . 0.0 111.669 -172.403 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 74' ' ' LEU . . . . . 0.424 ' HB3' HG13 ' A' ' 34' ' ' ILE . 95.4 mt -92.89 -40.9 10.35 Favored 'General case' 0 C--N 1.322 -0.629 0 N-CA-C 112.63 0.604 . . . . 0.0 112.63 -172.65 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 75' ' ' PHE . . . . . . . . . . . . . 30.5 t80 -105.53 -42.97 5.07 Favored 'General case' 0 C--N 1.326 -0.438 0 C-N-CA 120.807 -0.357 . . . . 0.0 111.856 -170.135 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 45.1 mt-10 65.66 15.33 10.0 Favored 'General case' 0 N--CA 1.469 0.478 0 C-N-CA 123.372 0.669 . . . . 0.0 112.129 179.79 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . -97.99 24.61 31.02 Favored Glycine 0 CA--C 1.517 0.16 0 C-N-CA 120.682 -0.77 . . . . 0.0 112.354 -178.827 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 78' ' ' LYS . . . . . 0.461 ' HD2' ' OG ' ' A' ' 72' ' ' SER . 0.0 OUTLIER -125.92 144.35 50.72 Favored 'General case' 0 C--N 1.321 -0.642 0 N-CA-C 110.136 -0.32 . . . . 0.0 110.136 179.46 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 79' ' ' ASP . . . . . . . . . . . . . 11.6 p-10 -107.6 1.7 23.45 Favored 'General case' 0 C--N 1.321 -0.636 0 CA-C-N 116.25 -0.432 . . . . 0.0 111.226 -177.703 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 80' ' ' VAL . . . . . . . . . . . . . 22.0 t . . . . . 0 C--N 1.327 -0.413 0 CA-C-N 116.635 -0.257 . . . . 0.0 110.554 -178.429 . . . . . . . . 0 0 . 1 . 016 nuclear orig core ' A' A ' 3' ' ' ARG . . . . . . . . . . . . . 16.6 ptm180 . . . . . 0 N--CA 1.448 -0.539 0 N-CA-C 108.12 -1.067 . . . . 0.0 108.12 . . . . . . . . . 0 0 . 1 . 016 nuclear orig core ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 9.5 m -78.03 109.4 12.06 Favored 'General case' 0 C--N 1.317 -0.82 0 CA-C-N 115.777 -0.647 . . . . 0.0 110.9 -172.655 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 5' ' ' ILE . . . . . . . . . . . . . 2.6 pp -123.8 164.89 21.11 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.754 0 CA-C-N 115.457 -0.792 . . . . 0.0 110.385 -179.494 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 6' ' ' PHE . . . . . . . . . . . . . 86.2 m-85 -99.76 97.31 8.26 Favored 'General case' 0 C--N 1.32 -0.687 0 N-CA-C 109.508 -0.552 . . . . 0.0 109.508 176.28 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 7' ' ' CYS . . . . . 0.665 ' SG ' ' HB2' ' A' ' 10' ' ' LEU . 16.9 p -67.51 142.68 56.49 Favored 'General case' 0 C--N 1.322 -0.592 0 CA-C-N 115.345 -0.843 . . . . 0.0 111.573 -174.489 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 6.8 m -69.75 -27.13 64.68 Favored 'General case' 0 C--N 1.324 -0.54 0 CA-C-N 115.962 -0.563 . . . . 0.0 111.525 -177.872 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 9' ' ' TYR . . . . . . . . . . . . . 72.1 t80 -74.25 -53.22 10.22 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-N 116.517 -0.31 . . . . 0.0 111.264 -177.696 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 10' ' ' LEU . . . . . 0.665 ' HB2' ' SG ' ' A' ' 7' ' ' CYS . 89.9 mt -90.13 -18.58 25.56 Favored 'General case' 0 C--N 1.331 -0.236 0 N-CA-C 111.593 0.22 . . . . 0.0 111.593 -176.608 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 28.4 mm-40 68.52 9.15 7.12 Favored 'General case' 0 N--CA 1.469 0.513 0 C-N-CA 122.837 0.455 . . . . 0.0 111.716 179.322 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 49.2 mtt180 -131.02 -171.34 2.55 Favored 'General case' 0 C--N 1.327 -0.403 0 N-CA-C 110.455 -0.202 . . . . 0.0 110.455 -178.714 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 5.0 p-10 -65.19 136.3 56.48 Favored 'General case' 0 C--O 1.234 0.25 0 CA-C-O 121.243 0.544 . . . . 0.0 111.289 -176.178 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -156.98 179.36 9.37 Favored 'General case' 0 C--N 1.319 -0.737 0 CA-C-N 115.336 -0.847 . . . . 0.0 109.315 177.45 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 12.8 pt-20 -104.82 154.68 19.72 Favored 'General case' 0 C--N 1.323 -0.579 0 N-CA-C 110.198 -0.297 . . . . 0.0 110.198 -178.946 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . -61.12 134.99 48.75 Favored Glycine 0 N--CA 1.445 -0.705 0 C-N-CA 120.821 -0.704 . . . . 0.0 111.828 175.035 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 17' ' ' GLN . . . . . . . . . . . . . 0.8 OUTLIER -59.3 -43.0 92.64 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-O 120.918 0.389 . . . . 0.0 110.191 -178.502 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 3.7 t70 -177.18 -163.6 0.09 Allowed 'General case' 0 C--N 1.328 -0.348 0 N-CA-C 108.982 -0.747 . . . . 0.0 108.982 178.361 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -114.11 -171.95 2.0 Favored 'General case' 0 C--N 1.323 -0.585 0 N-CA-C 109.897 -0.409 . . . . 0.0 109.897 -179.213 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 15.4 mm100 -79.46 93.95 5.48 Favored 'General case' 0 C--N 1.322 -0.615 0 CA-C-O 120.98 0.419 . . . . 0.0 110.797 -179.031 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -85.45 -56.34 3.56 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-N 115.972 -0.558 . . . . 0.0 109.989 178.487 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 22' ' ' TYR . . . . . 0.478 ' HB2' ' HD3' ' A' ' 23' ' ' PRO . 98.5 m-85 -133.83 -49.63 0.03 OUTLIER Pre-proline 0 CA--C 1.537 0.453 0 CA-C-N 115.925 -0.58 . . . . 0.0 112.199 -177.155 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 23' ' ' PRO . . . . . 0.478 ' HD3' ' HB2' ' A' ' 22' ' ' TYR . 22.9 Cg_exo -65.65 165.1 24.13 Favored 'Trans proline' 0 C--N 1.359 1.101 0 C-N-CA 122.002 1.801 . . . . 0.0 112.356 -178.299 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -112.02 -107.37 2.91 Favored Glycine 0 N--CA 1.448 -0.551 0 C-N-CA 120.77 -0.729 . . . . 0.0 112.898 -177.07 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 25' ' ' GLU . . . . . 0.411 ' HA ' ' HE2' ' A' ' 28' ' ' LYS . 16.7 pt-20 -61.1 -42.92 99.4 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.684 0.278 . . . . 0.0 111.65 -174.773 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 58.1 tp -70.45 -32.95 70.72 Favored 'General case' 0 C--N 1.326 -0.451 0 N-CA-C 109.535 -0.543 . . . . 0.0 109.535 179.376 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . -59.83 -58.87 11.96 Favored Glycine 0 N--CA 1.445 -0.754 0 CA-C-N 115.485 -0.78 . . . . 0.0 112.099 179.644 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 28' ' ' LYS . . . . . 0.411 ' HE2' ' HA ' ' A' ' 25' ' ' GLU . 61.5 pttt -60.81 -37.97 83.81 Favored 'General case' 0 C--N 1.326 -0.451 0 CA-C-O 120.391 0.138 . . . . 0.0 110.709 -177.084 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 75.4 ttt180 -56.35 -49.28 74.84 Favored 'General case' 0 C--O 1.226 -0.176 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.341 179.166 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 30' ' ' ILE . . . . . 0.425 ' O ' ' HB ' ' A' ' 34' ' ' ILE . 84.0 mt -73.14 -45.79 52.76 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.589 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.292 -178.339 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 31' ' ' TYR . . . . . . . . . . . . . 21.0 m-85 -63.59 -26.23 68.59 Favored 'General case' 0 C--N 1.325 -0.493 0 N-CA-C 112.734 0.642 . . . . 0.0 112.734 -173.732 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 32' ' ' ASN . . . . . . . . . . . . . 0.0 OUTLIER -103.73 0.25 30.27 Favored 'General case' 0 N--CA 1.465 0.314 0 C-N-CA 120.231 -0.588 . . . . 0.0 111.978 179.562 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 48.9 mt-10 -120.41 -4.11 9.9 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 121.072 0.463 . . . . 0.0 110.897 178.088 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 34' ' ' ILE . . . . . 0.425 ' HB ' ' O ' ' A' ' 30' ' ' ILE . 4.7 mm -129.45 137.5 56.73 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.528 0 CA-C-O 121.187 0.518 . . . . 0.0 110.827 -179.177 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 47.2 t -94.57 169.98 9.8 Favored 'General case' 0 C--N 1.322 -0.607 0 CA-C-N 115.304 -0.862 . . . . 0.0 110.733 -178.418 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 33.6 mmtp -53.55 -44.28 69.11 Favored 'General case' 0 C--N 1.324 -0.519 0 CA-C-N 115.025 -0.989 . . . . 0.0 110.919 178.706 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 37' ' ' ASP . . . . . 0.45 ' O ' ' HG3' ' A' ' 41' ' ' GLN . 3.2 p-10 -68.0 -48.63 65.23 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-N 115.488 -0.778 . . . . 0.0 111.471 -176.607 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -59.65 -41.46 90.6 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-O 120.711 0.291 . . . . 0.0 111.114 -179.903 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 39' ' ' TRP . . . . . . . . . . . . . 57.6 t-105 -66.5 -42.8 86.83 Favored 'General case' 0 C--O 1.233 0.212 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.205 177.762 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -59.47 -46.76 87.87 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 115.823 -0.626 . . . . 0.0 110.738 179.646 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 41' ' ' GLN . . . . . 0.45 ' HG3' ' O ' ' A' ' 37' ' ' ASP . 27.5 mt-30 -57.32 -45.65 84.02 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 115.972 -0.558 . . . . 0.0 110.63 178.483 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 42' ' ' TRP . . . . . . . . . . . . . 8.2 t-105 -62.52 -59.06 5.48 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 115.764 -0.653 . . . . 0.0 111.603 -176.897 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 43' ' ' GLN . . . . . . . . . . . . . 4.4 mt-30 -65.24 -29.97 70.81 Favored 'General case' 0 C--N 1.327 -0.372 0 C-N-CA 120.789 -0.364 . . . . 0.0 111.614 -176.343 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 44' ' ' HIS . . . . . . . . . . . . . 20.4 t-80 -67.16 -47.78 69.97 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-O 120.916 0.388 . . . . 0.0 109.997 178.133 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 17.5 tppt? -61.74 -44.79 96.22 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 115.646 -0.706 . . . . 0.0 110.13 176.111 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 46' ' ' GLN . . . . . . . . . . . . . 33.9 tt0 -57.94 -48.6 79.44 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 115.476 -0.784 . . . . 0.0 111.161 179.362 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 99.9 m -53.18 -44.91 68.28 Favored 'General case' 0 C--O 1.236 0.356 0 CA-C-O 120.866 0.365 . . . . 0.0 111.086 178.437 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 48' ' ' MET . . . . . . . . . . . . . 43.1 tpp -63.25 -50.54 69.77 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.043 -0.526 . . . . 0.0 111.049 -179.785 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 10.2 mp -65.5 -36.91 85.25 Favored 'General case' 0 C--N 1.326 -0.419 0 N-CA-C 112.042 0.386 . . . . 0.0 112.042 -176.933 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 50' ' ' ILE . . . . . . . . . . . . . 1.5 mp -64.91 -35.62 75.75 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.4 0 CA-C-N 116.629 -0.26 . . . . 0.0 111.178 -179.797 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 51' ' ' ASN . . . . . . . . . . . . . 38.9 m-80 -86.3 -23.55 26.25 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-O 120.865 0.364 . . . . 0.0 110.834 179.781 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 38.0 tt0 -76.59 -56.43 4.62 Favored 'General case' 0 C--N 1.325 -0.482 0 CA-C-N 115.882 -0.599 . . . . 0.0 110.843 178.548 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 66.7 mttm -83.18 -7.28 59.64 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 115.766 -0.652 . . . . 0.0 111.005 -175.023 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 44.3 mtmt 60.99 67.38 0.81 Allowed 'General case' 0 N--CA 1.465 0.28 0 CA-C-N 115.825 -0.625 . . . . 0.0 110.682 179.858 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 54.4 mt -103.11 127.53 50.35 Favored 'General case' 0 C--N 1.324 -0.506 0 CA-C-N 115.653 -0.703 . . . . 0.0 109.991 -178.579 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 56' ' ' ASN . . . . . . . . . . . . . 20.2 m120 -108.84 139.71 43.29 Favored 'General case' 0 C--N 1.322 -0.619 0 CA-C-N 116.474 -0.33 . . . . 0.0 110.654 178.111 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 57' ' ' MET . . . . . . . . . . . . . 1.1 mpt? -84.65 10.61 10.73 Favored 'General case' 0 C--N 1.324 -0.527 0 CA-C-N 115.936 -0.575 . . . . 0.0 110.461 179.649 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 58' ' ' MET . . . . . . . . . . . . . 60.9 mtt -71.51 -28.85 64.18 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-N 115.577 -0.738 . . . . 0.0 109.527 175.101 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 59' ' ' ASN . . . . . . . . . . . . . 17.6 m120 -101.38 126.6 48.17 Favored 'General case' 0 C--N 1.326 -0.439 0 CA-C-N 115.569 -0.741 . . . . 0.0 109.963 178.06 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -64.39 -19.26 65.38 Favored 'General case' 0 C--N 1.326 -0.449 0 CA-C-O 120.965 0.412 . . . . 0.0 110.892 179.994 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 38.2 mt-10 -53.53 -54.03 43.06 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 115.728 -0.669 . . . . 0.0 110.609 176.672 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 62' ' ' HIS . . . . . . . . . . . . . 98.0 m-70 -80.19 -17.64 51.83 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.028 -0.533 . . . . 0.0 110.47 -176.971 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 63' ' ' ARG . . . . . 0.421 ' O ' ' HG ' ' A' ' 66' ' ' LEU . 29.8 tpt180 -65.16 -54.72 25.36 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.019 -0.537 . . . . 0.0 110.375 176.935 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 64' ' ' LYS . . . . . 0.439 ' O ' ' HG3' ' A' ' 68' ' ' GLN . 23.6 pttm -73.91 -22.78 59.57 Favored 'General case' 0 C--N 1.329 -0.297 0 C-N-CA 120.268 -0.573 . . . . 0.0 110.32 179.881 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 1.5 tm? -61.83 -48.73 79.25 Favored 'General case' 0 C--N 1.331 -0.204 0 N-CA-C 109.611 -0.515 . . . . 0.0 109.611 176.416 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 66' ' ' LEU . . . . . 0.421 ' HG ' ' O ' ' A' ' 63' ' ' ARG . 2.1 pp -73.8 -21.31 60.19 Favored 'General case' 0 C--N 1.33 -0.242 0 C-N-CA 120.919 -0.313 . . . . 0.0 110.468 -179.356 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 35.6 tt0 -65.75 -45.77 81.35 Favored 'General case' 0 C--O 1.234 0.265 0 N-CA-C 109.105 -0.702 . . . . 0.0 109.105 174.115 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 68' ' ' GLN . . . . . 0.439 ' HG3' ' O ' ' A' ' 64' ' ' LYS . 49.9 mt-30 -56.34 -48.9 75.82 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 115.377 -0.829 . . . . 0.0 110.2 174.704 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 6.1 mm-40 -59.63 -42.2 92.19 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 115.853 -0.612 . . . . 0.0 111.207 178.922 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 70' ' ' MET . . . . . . . . . . . . . 52.3 ttm -58.75 -50.15 75.0 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 115.858 -0.61 . . . . 0.0 110.653 -178.415 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 71' ' ' VAL . . . . . . . . . . . . . 58.8 t -61.06 -37.96 78.51 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.368 0 CA-C-N 115.952 -0.567 . . . . 0.0 110.372 178.322 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 72' ' ' SER . . . . . 0.472 ' OG ' ' HE3' ' A' ' 78' ' ' LYS . 20.7 m -70.23 -44.5 68.43 Favored 'General case' 0 C--N 1.325 -0.464 0 CA-C-N 116.039 -0.528 . . . . 0.0 111.94 -176.083 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 73' ' ' PHE . . . . . . . . . . . . . 37.4 t80 -75.77 -36.71 59.75 Favored 'General case' 0 C--N 1.322 -0.628 0 CA-C-O 120.824 0.345 . . . . 0.0 111.24 -175.535 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 74' ' ' LEU . . . . . . . . . . . . . 69.2 mt -87.75 -43.31 11.98 Favored 'General case' 0 C--N 1.325 -0.462 0 N-CA-C 112.325 0.491 . . . . 0.0 112.325 -173.686 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 75' ' ' PHE . . . . . . . . . . . . . 87.1 t80 -110.96 -44.03 3.67 Favored 'General case' 0 C--N 1.325 -0.476 0 CA-C-O 120.788 0.328 . . . . 0.0 111.131 -175.893 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 76' ' ' GLU . . . . . 0.402 ' HB2' ' O ' ' A' ' 72' ' ' SER . 6.6 tp10 53.03 77.6 0.16 Allowed 'General case' 0 C--N 1.325 -0.499 0 CA-C-N 115.212 -0.904 . . . . 0.0 111.15 -174.141 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . -151.08 31.76 0.97 Allowed Glycine 0 N--CA 1.443 -0.886 0 N-CA-C 109.889 -1.284 . . . . 0.0 109.889 175.173 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 78' ' ' LYS . . . . . 0.472 ' HE3' ' OG ' ' A' ' 72' ' ' SER . 2.6 pptp? -103.9 156.76 17.58 Favored 'General case' 0 C--N 1.325 -0.476 0 CA-C-N 114.983 -0.608 . . . . 0.0 111.164 -175.071 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 79' ' ' ASP . . . . . . . . . . . . . 5.7 p-10 -129.75 13.89 5.88 Favored 'General case' 0 C--N 1.323 -0.575 0 CA-C-N 115.876 -0.602 . . . . 0.0 109.582 171.887 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 80' ' ' VAL . . . . . . . . . . . . . 14.1 t . . . . . 0 C--O 1.233 0.199 0 CA-C-N 115.547 -0.751 . . . . 0.0 109.462 179.02 . . . . . . . . 0 0 . 1 . 017 nuclear orig core ' A' A ' 3' ' ' ARG . . . . . 0.419 ' HG2' HG22 ' A' ' 5' ' ' ILE . 63.8 ttt180 . . . . . 0 N--CA 1.452 -0.339 0 CA-C-O 120.444 0.164 . . . . 0.0 110.621 . . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 15.1 p -72.0 112.23 7.91 Favored 'General case' 0 C--O 1.237 0.415 0 CA-C-O 120.849 0.357 . . . . 0.0 110.46 176.192 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 5' ' ' ILE . . . . . 0.419 HG22 ' HG2' ' A' ' 3' ' ' ARG . 2.3 pp -134.55 170.04 20.38 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.573 0 CA-C-N 116.075 -0.511 . . . . 0.0 111.385 -178.267 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 6' ' ' PHE . . . . . . . . . . . . . 88.2 m-85 -101.8 104.19 14.95 Favored 'General case' 0 C--N 1.32 -0.702 0 N-CA-C 109.283 -0.636 . . . . 0.0 109.283 174.465 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 7' ' ' CYS . . . . . 0.458 ' O ' ' HA ' ' A' ' 11' ' ' GLN . 41.9 t -60.18 145.84 45.57 Favored 'General case' 0 C--N 1.324 -0.52 0 CA-C-N 115.742 -0.663 . . . . 0.0 111.168 -176.366 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 1.0 OUTLIER -72.75 -40.2 66.23 Favored 'General case' 0 C--N 1.324 -0.513 0 CA-C-O 120.881 0.372 . . . . 0.0 111.948 179.024 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 9' ' ' TYR . . . . . . . . . . . . . 89.8 t80 -85.24 -44.08 13.2 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.365 -0.38 . . . . 0.0 111.105 -178.302 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 10' ' ' LEU . . . . . 0.411 ' HB2' ' HB3' ' A' ' 7' ' ' CYS . 52.0 mt -80.19 -35.86 35.79 Favored 'General case' 0 C--N 1.329 -0.322 0 C-N-CA 120.853 -0.339 . . . . 0.0 110.436 -178.947 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 11' ' ' GLN . . . . . 0.458 ' HA ' ' O ' ' A' ' 7' ' ' CYS . 74.5 mt-30 52.8 44.66 30.01 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-O 122.09 0.948 . . . . 0.0 111.576 -177.797 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 14.5 ptt180 -133.12 174.61 10.19 Favored 'General case' 0 C--N 1.321 -0.645 0 CA-C-N 114.155 -1.384 . . . . 0.0 108.171 174.623 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 18.7 t70 -69.11 109.88 4.24 Favored 'General case' 0 C--N 1.322 -0.601 0 N-CA-C 108.553 -0.906 . . . . 0.0 108.553 172.214 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -129.34 179.51 5.74 Favored 'General case' 0 C--N 1.318 -0.794 0 CA-C-O 121.266 0.555 . . . . 0.0 111.679 -173.21 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 6.8 tp10 -101.73 131.94 47.72 Favored 'General case' 0 N--CA 1.445 -0.716 0 CA-C-N 115.19 -0.913 . . . . 0.0 110.014 -179.699 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . -58.92 123.57 33.93 Favored Glycine 0 N--CA 1.444 -0.793 0 N-CA-C 110.36 -1.096 . . . . 0.0 110.36 171.9 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 17' ' ' GLN . . . . . 0.455 ' O ' ' HE3' ' A' ' 36' ' ' LYS . 1.3 tt0 -48.41 -60.59 2.55 Favored 'General case' 0 C--N 1.331 -0.196 0 CA-C-O 120.676 0.274 . . . . 0.0 111.289 -173.231 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 2.0 t70 -170.29 -163.38 0.34 Allowed 'General case' 0 C--N 1.325 -0.499 0 N-CA-C 108.967 -0.753 . . . . 0.0 108.967 178.23 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 94.7 m-85 -118.13 -163.27 0.93 Allowed 'General case' 0 C--N 1.321 -0.646 0 CA-C-O 120.717 0.294 . . . . 0.0 110.895 -178.111 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 15.7 mm100 -76.77 92.61 3.59 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-O 121.085 0.469 . . . . 0.0 110.979 -178.3 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 21' ' ' LEU . . . . . 0.408 HD12 ' H ' ' A' ' 22' ' ' TYR . 0.3 OUTLIER -107.05 -32.28 7.92 Favored 'General case' 0 C--N 1.321 -0.663 0 CA-C-N 115.639 -0.71 . . . . 0.0 112.081 178.97 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 22' ' ' TYR . . . . . 0.408 ' H ' HD12 ' A' ' 21' ' ' LEU . 64.4 m-85 -146.52 -48.85 0.02 OUTLIER Pre-proline 0 CA--C 1.538 0.509 0 N-CA-C 113.175 0.806 . . . . 0.0 113.175 -176.295 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 23' ' ' PRO . . . . . . . . . . . . . 11.1 Cg_exo -72.52 173.95 12.43 Favored 'Trans proline' 0 C--N 1.354 0.841 0 C-N-CA 121.711 1.607 . . . . 0.0 113.099 -178.137 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -89.87 -147.82 17.93 Favored Glycine 0 N--CA 1.45 -0.416 0 CA-C-N 115.739 -0.664 . . . . 0.0 111.765 179.704 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 39.0 tt0 -54.61 -42.28 70.99 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-O 120.609 0.242 . . . . 0.0 111.408 -178.52 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 26' ' ' LEU . . . . . 0.408 HD22 ' HD3' ' A' ' 29' ' ' ARG . 87.1 mt -60.25 -24.32 64.79 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.343 -0.39 . . . . 0.0 111.101 -179.614 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . -59.49 -60.38 8.88 Favored Glycine 0 N--CA 1.443 -0.876 0 C-N-CA 120.918 -0.658 . . . . 0.0 111.663 176.98 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 22.6 pttp -74.22 -24.72 59.37 Favored 'General case' 0 C--N 1.326 -0.424 0 O-C-N 122.7 -0.294 . . . . 0.0 110.757 -177.01 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 29' ' ' ARG . . . . . 0.408 ' HD3' HD22 ' A' ' 26' ' ' LEU . 75.0 ttt180 -66.77 -23.24 66.05 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-O 121.157 0.503 . . . . 0.0 110.279 176.908 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 30' ' ' ILE . . . . . . . . . . . . . 95.7 mt -96.92 -47.57 12.68 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.557 0 CA-C-N 116.244 -0.435 . . . . 0.0 111.291 174.175 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 31' ' ' TYR . . . . . . . . . . . . . 12.5 m-30 -65.23 -14.24 60.19 Favored 'General case' 0 N--CA 1.47 0.555 0 N-CA-C 112.541 0.571 . . . . 0.0 112.541 -173.394 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 32' ' ' ASN . . . . . . . . . . . . . 36.1 p-10 -82.9 -21.03 34.34 Favored 'General case' 0 C--N 1.323 -0.58 0 O-C-N 122.351 -0.218 . . . . 0.0 111.24 -178.494 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 33' ' ' GLU . . . . . 0.407 ' O ' ' HA ' ' A' ' 7' ' ' CYS . 46.1 mt-10 -131.82 16.35 4.76 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 120.923 0.392 . . . . 0.0 111.331 -179.314 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 34' ' ' ILE . . . . . . . . . . . . . 9.2 mm -126.29 131.26 71.7 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 CA-C-O 121.175 0.512 . . . . 0.0 110.513 175.92 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 33.9 t -90.38 163.13 14.81 Favored 'General case' 0 C--N 1.323 -0.57 0 CA-C-N 115.549 -0.751 . . . . 0.0 110.142 177.953 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 36' ' ' LYS . . . . . 0.455 ' HE3' ' O ' ' A' ' 17' ' ' GLN . 34.2 mmtp -51.07 -36.19 38.79 Favored 'General case' 0 C--N 1.326 -0.449 0 CA-C-N 115.546 -0.752 . . . . 0.0 110.657 174.946 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 37' ' ' ASP . . . . . 0.628 ' O ' ' HG3' ' A' ' 41' ' ' GLN . 9.4 m-20 -56.46 -62.92 1.39 Allowed 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 115.411 -0.813 . . . . 0.0 110.778 -179.596 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -62.1 -35.89 80.07 Favored 'General case' 0 C--N 1.331 -0.2 0 CA-C-N 115.696 -0.683 . . . . 0.0 111.385 -177.047 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 39' ' ' TRP . . . . . . . . . . . . . 73.8 t-105 -62.63 -43.56 98.49 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.506 177.822 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -67.3 -41.67 84.98 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.064 -0.516 . . . . 0.0 110.788 179.44 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 41' ' ' GLN . . . . . 0.628 ' HG3' ' O ' ' A' ' 37' ' ' ASP . 89.1 mt-30 -57.46 -44.95 85.21 Favored 'General case' 0 C--O 1.235 0.297 0 CA-C-N 115.947 -0.57 . . . . 0.0 110.181 177.671 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 42' ' ' TRP . . . . . 0.442 ' CZ3' ' HE2' ' A' ' 45' ' ' LYS . 22.7 t-105 -68.82 -49.21 60.36 Favored 'General case' 0 N--CA 1.444 -0.735 0 CA-C-N 115.533 -0.758 . . . . 0.0 111.47 -175.815 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 43' ' ' GLN . . . . . . . . . . . . . 58.8 mt-30 -60.54 -35.64 76.5 Favored 'General case' 0 C--N 1.328 -0.327 0 C-N-CA 120.986 -0.286 . . . . 0.0 110.556 179.943 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 44' ' ' HIS . . . . . . . . . . . . . 65.8 t60 -60.94 -50.87 71.67 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-O 120.796 0.331 . . . . 0.0 110.438 177.577 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 45' ' ' LYS . . . . . 0.442 ' HE2' ' CZ3' ' A' ' 42' ' ' TRP . 0.3 OUTLIER -63.44 -49.42 73.76 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.273 -0.421 . . . . 0.0 110.374 -179.153 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 46' ' ' GLN . . . . . 0.445 ' O ' HG13 ' A' ' 50' ' ' ILE . 42.3 tp60 -64.26 -47.9 77.79 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.392 -0.367 . . . . 0.0 111.382 -173.695 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 62.6 m -59.76 -33.24 71.42 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.715 -179.597 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 48' ' ' MET . . . . . . . . . . . . . 53.7 tpp -59.69 -50.45 73.8 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.28 -0.418 . . . . 0.0 110.632 176.656 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 45.8 mt -65.21 -37.74 88.24 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-O 120.885 0.374 . . . . 0.0 110.413 -177.954 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 50' ' ' ILE . . . . . 0.445 HG13 ' O ' ' A' ' 46' ' ' GLN . 73.2 mt -59.29 -38.16 73.12 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.359 0 CA-C-N 115.8 -0.637 . . . . 0.0 110.934 178.158 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 51' ' ' ASN . . . . . . . . . . . . . 38.4 m-80 -81.23 -34.77 31.96 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-N 116.502 -0.317 . . . . 0.0 111.371 -179.825 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 34.1 mt-10 -66.06 -44.34 84.82 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.731 0.3 . . . . 0.0 111.242 178.486 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 67.0 mttm -86.68 -18.51 31.09 Favored 'General case' 0 C--N 1.326 -0.454 0 CA-C-N 116.378 -0.374 . . . . 0.0 110.961 -179.072 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 97.1 mttt 55.65 63.74 1.97 Allowed 'General case' 0 C--O 1.234 0.274 0 CA-C-N 115.679 -0.692 . . . . 0.0 110.339 -177.672 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 55' ' ' LEU . . . . . 0.526 ' O ' HD13 ' A' ' 55' ' ' LEU . 3.0 pp -112.95 135.25 53.92 Favored 'General case' 0 C--N 1.323 -0.552 0 CA-C-N 115.603 -0.726 . . . . 0.0 111.493 -176.081 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 56' ' ' ASN . . . . . 0.537 HD21 ' N ' ' A' ' 57' ' ' MET . 0.2 OUTLIER -95.88 127.6 42.03 Favored 'General case' 0 C--N 1.323 -0.566 0 CA-C-N 115.336 -0.847 . . . . 0.0 108.847 176.897 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 57' ' ' MET . . . . . 0.537 ' N ' HD21 ' A' ' 56' ' ' ASN . 22.0 mmt -75.9 40.43 0.2 Allowed 'General case' 0 N--CA 1.466 0.36 0 N-CA-C 112.566 0.58 . . . . 0.0 112.566 -177.294 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 58' ' ' MET . . . . . 0.408 ' HG3' ' OD1' ' A' ' 59' ' ' ASN . 16.9 ptp -98.81 -6.38 29.34 Favored 'General case' 0 C--N 1.323 -0.55 0 N-CA-C 109.334 -0.617 . . . . 0.0 109.334 174.347 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 59' ' ' ASN . . . . . 0.408 ' OD1' ' HG3' ' A' ' 58' ' ' MET . 6.1 m-20 -110.9 133.84 53.04 Favored 'General case' 0 C--N 1.324 -0.505 0 CA-C-N 115.012 -0.994 . . . . 0.0 110.302 -177.86 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -62.02 -32.39 72.87 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 115.588 -0.733 . . . . 0.0 112.808 -171.662 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 26.0 mm-40 -58.39 -44.58 88.99 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-O 120.633 0.254 . . . . 0.0 111.365 -177.881 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 62' ' ' HIS . . . . . . . . . . . . . 93.5 m-70 -74.72 -32.36 62.12 Favored 'General case' 0 C--N 1.325 -0.482 0 CA-C-O 120.908 0.385 . . . . 0.0 109.998 -178.364 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 63' ' ' ARG . . . . . . . . . . . . . 29.9 ttm180 -59.93 -52.59 64.76 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 115.517 -0.765 . . . . 0.0 111.108 -178.821 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 15.7 pttm -71.55 -30.19 65.59 Favored 'General case' 0 C--N 1.329 -0.314 0 C-N-CA 120.783 -0.367 . . . . 0.0 110.627 -178.689 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 7.1 tt -62.31 -45.92 91.06 Favored 'General case' 0 C--N 1.333 -0.146 0 N-CA-C 109.551 -0.537 . . . . 0.0 109.551 179.373 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 9.8 tt -61.87 -43.63 98.47 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.061 -0.518 . . . . 0.0 110.204 177.353 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 33.1 tt0 -64.52 -40.36 95.48 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-O 120.686 0.279 . . . . 0.0 110.677 -177.353 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 68' ' ' GLN . . . . . 0.402 HE21 ' HB2' ' A' ' 68' ' ' GLN . 21.0 mt-30 -56.42 -49.58 74.14 Favored 'General case' 0 C--O 1.235 0.305 0 CA-C-N 116.357 -0.383 . . . . 0.0 110.453 176.35 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 69' ' ' GLU . . . . . 0.442 ' HB3' ' CH2' ' A' ' 42' ' ' TRP . 46.6 mt-10 -63.13 -44.24 96.12 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 121.332 0.587 . . . . 0.0 110.636 178.644 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 70' ' ' MET . . . . . . . . . . . . . 22.3 ttt -58.4 -48.44 80.66 Favored 'General case' 0 C--N 1.325 -0.457 0 CA-C-N 115.419 -0.81 . . . . 0.0 111.334 -174.667 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 71' ' ' VAL . . . . . 0.443 ' O ' ' HB3' ' A' ' 75' ' ' PHE . 65.9 t -68.01 -38.06 79.28 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.377 0 CA-C-N 116.077 -0.51 . . . . 0.0 111.306 -178.988 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 13.6 p -75.62 -18.7 59.61 Favored 'General case' 0 C--N 1.324 -0.536 0 CA-C-O 120.82 0.343 . . . . 0.0 111.768 -175.65 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 73' ' ' PHE . . . . . . . . . . . . . 61.7 t80 -99.5 -56.21 2.46 Favored 'General case' 0 C--N 1.325 -0.481 0 CA-C-O 120.748 0.309 . . . . 0.0 111.377 -179.834 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 74' ' ' LEU . . . . . . . . . . . . . 92.9 mt -72.19 -34.85 68.73 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.447 -0.342 . . . . 0.0 111.454 -174.63 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 75' ' ' PHE . . . . . 0.443 ' HB3' ' O ' ' A' ' 71' ' ' VAL . 74.2 t80 -98.12 -43.5 7.0 Favored 'General case' 0 C--N 1.326 -0.426 0 C-N-CA 120.97 -0.292 . . . . 0.0 110.722 -179.478 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 23.4 mt-10 61.89 97.51 0.03 OUTLIER 'General case' 0 N--CA 1.463 0.223 0 O-C-N 123.909 0.755 . . . . 0.0 111.103 -176.126 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . 140.51 52.01 0.05 OUTLIER Glycine 0 N--CA 1.447 -0.613 0 C-N-CA 120.23 -0.986 . . . . 0.0 112.864 178.496 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 78' ' ' LYS . . . . . 0.481 ' HD3' ' H ' ' A' ' 80' ' ' VAL . 0.0 OUTLIER -119.97 164.65 15.77 Favored 'General case' 0 C--N 1.326 -0.455 0 N-CA-C 109.876 -0.416 . . . . 0.0 109.876 174.462 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 79' ' ' ASP . . . . . . . . . . . . . 7.4 p-10 -98.21 6.49 47.4 Favored 'General case' 0 C--N 1.326 -0.415 0 N-CA-C 112.627 0.603 . . . . 0.0 112.627 -171.827 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 80' ' ' VAL . . . . . 0.481 ' H ' ' HD3' ' A' ' 78' ' ' LYS . 61.3 t . . . . . 0 C--N 1.321 -0.664 0 C-N-CA 120.962 -0.295 . . . . 0.0 111.097 -177.649 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 3' ' ' ARG . . . . . . . . . . . . . 6.3 ptm180 . . . . . 0 N--CA 1.451 -0.384 0 CA-C-O 121.316 0.579 . . . . 0.0 111.139 . . . . . . . . . 0 0 . 1 . 018 nuclear orig core ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 19.6 m -95.18 121.3 36.68 Favored 'General case' 0 C--N 1.322 -0.615 0 N-CA-C 109.198 -0.667 . . . . 0.0 109.198 174.46 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 5' ' ' ILE . . . . . . . . . . . . . 2.7 pp -121.14 169.65 12.18 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.637 0 CA-C-O 121.105 0.478 . . . . 0.0 111.596 -173.062 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 6' ' ' PHE . . . . . . . . . . . . . 73.2 t80 -93.12 102.26 14.57 Favored 'General case' 0 N--CA 1.446 -0.644 0 N-CA-C 108.74 -0.837 . . . . 0.0 108.74 175.371 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 7' ' ' CYS . . . . . 0.418 ' HA ' ' O ' ' A' ' 33' ' ' GLU . 50.8 t -70.54 131.36 43.87 Favored 'General case' 0 C--N 1.325 -0.472 0 CA-C-N 116.284 -0.417 . . . . 0.0 110.517 -176.321 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 9.3 p -63.36 -46.99 83.97 Favored 'General case' 0 C--N 1.321 -0.64 0 CA-C-N 115.878 -0.601 . . . . 0.0 111.624 -177.822 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 9' ' ' TYR . . . . . . . . . . . . . 87.6 t80 -69.63 -39.57 77.06 Favored 'General case' 0 C--N 1.326 -0.44 0 CA-C-N 116.341 -0.39 . . . . 0.0 111.55 -178.232 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 10' ' ' LEU . . . . . 0.405 ' HB2' ' HB3' ' A' ' 7' ' ' CYS . 99.0 mt -82.45 -27.97 31.57 Favored 'General case' 0 C--N 1.328 -0.338 0 C-N-CA 121.02 -0.272 . . . . 0.0 111.714 -175.808 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 31.9 mm-40 60.88 32.24 20.03 Favored 'General case' 0 N--CA 1.464 0.244 0 CA-C-O 121.234 0.54 . . . . 0.0 110.414 -177.239 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 60.5 mtm180 -151.38 174.64 13.1 Favored 'General case' 0 C--N 1.326 -0.443 0 CA-C-N 115.557 -0.747 . . . . 0.0 110.408 -175.678 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 8.6 m-20 -63.36 130.05 42.85 Favored 'General case' 0 CA--C 1.514 -0.421 0 O-C-N 123.476 0.485 . . . . 0.0 109.962 177.757 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 14' ' ' ALA . . . . . 0.507 ' HB1' ' HB2' ' A' ' 35' ' ' SER . . . -144.44 169.25 18.29 Favored 'General case' 0 C--N 1.315 -0.892 0 CA-C-O 120.858 0.361 . . . . 0.0 111.173 -178.643 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 35.9 tt0 -93.87 121.75 35.65 Favored 'General case' 0 C--N 1.321 -0.637 0 CA-C-N 116.127 -0.488 . . . . 0.0 109.934 -178.151 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . -61.59 143.87 48.73 Favored Glycine 0 N--CA 1.443 -0.838 0 N-CA-C 111.403 -0.679 . . . . 0.0 111.403 178.279 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 17' ' ' GLN . . . . . . . . . . . . . 18.0 mt-30 -76.09 -161.38 0.17 Allowed 'General case' 0 C--N 1.322 -0.594 0 CA-C-O 121.205 0.526 . . . . 0.0 111.423 -176.323 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 18' ' ' ASP . . . . . 0.428 ' HB2' HD11 ' A' ' 21' ' ' LEU . 14.1 m-20 -73.78 -168.62 0.61 Allowed 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 115.805 -0.634 . . . . 0.0 111.251 -179.103 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 29.0 t80 -100.37 -92.16 0.29 Allowed 'General case' 0 C--N 1.325 -0.461 0 CA-C-N 116.396 -0.366 . . . . 0.0 111.191 -173.209 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 20' ' ' GLN . . . . . 0.534 ' HA ' HE21 ' A' ' 20' ' ' GLN . 0.0 OUTLIER -134.06 108.55 8.41 Favored 'General case' 0 C--N 1.324 -0.527 0 N-CA-C 108.92 -0.77 . . . . 0.0 108.92 179.7 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 21' ' ' LEU . . . . . 0.452 ' N ' HD13 ' A' ' 21' ' ' LEU . 3.2 mp -104.02 -73.32 0.67 Allowed 'General case' 0 C--N 1.32 -0.712 0 CA-C-O 121.081 0.467 . . . . 0.0 110.185 -174.473 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 22' ' ' TYR . . . . . 0.501 ' CG ' ' HD3' ' A' ' 23' ' ' PRO . 41.7 p90 -118.54 -31.58 0.07 OUTLIER Pre-proline 0 CA--C 1.544 0.746 0 CA-C-N 115.711 -0.677 . . . . 0.0 112.472 176.571 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 23' ' ' PRO . . . . . 0.501 ' HD3' ' CG ' ' A' ' 22' ' ' TYR . 86.6 Cg_endo -88.86 176.14 3.4 Favored 'Trans proline' 0 C--N 1.362 1.262 0 CA-C-N 120.791 1.318 . . . . 0.0 111.885 174.895 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -112.42 -121.39 3.91 Favored Glycine 0 N--CA 1.444 -0.783 0 C-N-CA 120.707 -0.758 . . . . 0.0 112.285 -178.414 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 26.9 mm-40 -63.46 -44.12 95.37 Favored 'General case' 0 C--N 1.326 -0.414 0 N-CA-C 112.046 0.388 . . . . 0.0 112.046 -175.738 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 63.6 tp -64.56 -39.2 93.32 Favored 'General case' 0 C--N 1.325 -0.476 0 CA-C-O 121.163 0.506 . . . . 0.0 109.889 -178.819 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . -64.81 -48.29 73.65 Favored Glycine 0 N--CA 1.448 -0.541 0 C-N-CA 120.598 -0.81 . . . . 0.0 111.758 177.545 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 28' ' ' LYS . . . . . 0.463 ' HZ1' ' HB3' ' A' ' 28' ' ' LYS . 6.5 ttpm? -61.59 -34.53 75.79 Favored 'General case' 0 C--O 1.234 0.272 0 CA-C-O 120.947 0.404 . . . . 0.0 110.408 179.493 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 29' ' ' ARG . . . . . 0.454 ' O ' ' HG2' ' A' ' 33' ' ' GLU . 72.3 ttt180 -61.14 -37.22 82.07 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 115.782 -0.644 . . . . 0.0 110.647 178.502 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 30' ' ' ILE . . . . . . . . . . . . . 62.2 mt -77.77 -39.83 26.8 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.659 0 C-N-CA 120.802 -0.359 . . . . 0.0 110.469 177.051 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 31' ' ' TYR . . . . . . . . . . . . . 19.4 m-85 -62.69 -23.11 66.97 Favored 'General case' 0 C--N 1.329 -0.284 0 N-CA-C 112.878 0.696 . . . . 0.0 112.878 -175.298 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 32' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER -103.55 0.06 30.41 Favored 'General case' 0 C--N 1.327 -0.404 0 C-N-CA 119.855 -0.738 . . . . 0.0 112.092 -178.581 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 33' ' ' GLU . . . . . 0.454 ' HG2' ' O ' ' A' ' 29' ' ' ARG . 48.0 mm-40 -105.95 -32.61 8.24 Favored 'General case' 0 C--O 1.235 0.306 0 CA-C-O 121.452 0.644 . . . . 0.0 109.965 175.879 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 34' ' ' ILE . . . . . 0.408 HD11 ' HA ' ' A' ' 34' ' ' ILE . 9.7 mm -105.37 142.01 19.45 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.645 0 CA-C-N 115.445 -0.798 . . . . 0.0 111.044 -177.251 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 35' ' ' SER . . . . . 0.507 ' HB2' ' HB1' ' A' ' 14' ' ' ALA . 9.0 t -82.06 153.13 26.28 Favored 'General case' 0 C--N 1.322 -0.614 0 CA-C-N 115.402 -0.817 . . . . 0.0 110.087 177.291 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 99.1 mttt -53.3 -29.93 36.13 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.056 -0.52 . . . . 0.0 110.274 174.787 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 37' ' ' ASP . . . . . 0.63 ' O ' ' HG3' ' A' ' 41' ' ' GLN . 11.1 m-20 -60.96 -60.83 3.17 Favored 'General case' 0 C--N 1.332 -0.188 0 CA-C-N 115.629 -0.714 . . . . 0.0 110.35 177.86 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 38' ' ' ALA . . . . . 0.401 ' HB3' HG23 ' A' ' 34' ' ' ILE . . . -63.31 -36.52 83.97 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 115.741 -0.663 . . . . 0.0 111.154 -177.278 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 39' ' ' TRP . . . . . . . . . . . . . 65.2 t-105 -59.92 -48.55 81.24 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-O 120.902 0.382 . . . . 0.0 110.102 176.683 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -60.54 -48.59 81.11 Favored 'General case' 0 N--CA 1.453 -0.321 0 CA-C-N 115.848 -0.615 . . . . 0.0 110.745 178.578 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 41' ' ' GLN . . . . . 0.63 ' HG3' ' O ' ' A' ' 37' ' ' ASP . 20.7 mt-30 -55.19 -49.09 72.78 Favored 'General case' 0 C--O 1.233 0.206 0 O-C-N 123.349 0.406 . . . . 0.0 110.791 179.845 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 42' ' ' TRP . . . . . . . . . . . . . 51.1 t-105 -66.8 -54.44 22.54 Favored 'General case' 0 N--CA 1.45 -0.432 0 CA-C-N 115.781 -0.645 . . . . 0.0 111.224 -175.272 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 43' ' ' GLN . . . . . 0.526 ' HA ' ' OE1' ' A' ' 43' ' ' GLN . 11.9 mm-40 -68.68 -28.72 67.11 Favored 'General case' 0 C--N 1.325 -0.458 0 N-CA-C 112.018 0.377 . . . . 0.0 112.018 -174.119 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 44' ' ' HIS . . . . . . . . . . . . . 0.3 OUTLIER -62.91 -45.71 91.24 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-O 121.132 0.492 . . . . 0.0 109.852 174.387 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 3.7 tmtp? -70.9 -46.43 62.55 Favored 'General case' 0 C--N 1.325 -0.466 0 CA-C-N 115.411 -0.813 . . . . 0.0 110.403 -178.722 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 46' ' ' GLN . . . . . 0.502 ' O ' HG13 ' A' ' 50' ' ' ILE . 52.5 tp60 -61.16 -51.13 70.36 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 115.899 -0.591 . . . . 0.0 111.216 -177.067 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 30.4 m -59.8 -36.79 77.46 Favored 'General case' 0 C--O 1.236 0.355 0 CA-C-O 120.966 0.412 . . . . 0.0 110.628 179.466 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 48' ' ' MET . . . . . . . . . . . . . 24.2 ttt -59.4 -47.74 84.31 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 115.899 -0.591 . . . . 0.0 110.488 175.915 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 49' ' ' LEU . . . . . 0.443 ' HB3' ' HE2' ' A' ' 53' ' ' LYS . 36.5 mt -66.31 -35.98 81.78 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 115.996 -0.547 . . . . 0.0 111.801 -178.455 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 50' ' ' ILE . . . . . 0.502 HG13 ' O ' ' A' ' 46' ' ' GLN . 77.8 mt -61.92 -39.04 82.16 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.42 0 CA-C-O 120.825 0.345 . . . . 0.0 110.609 178.469 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 51' ' ' ASN . . . . . . . . . . . . . 33.9 m-80 -79.06 -35.86 41.85 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.672 -179.839 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 35.9 tt0 -61.75 -55.14 33.4 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-N 115.839 -0.619 . . . . 0.0 110.961 177.853 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 53' ' ' LYS . . . . . 0.443 ' HE2' ' HB3' ' A' ' 49' ' ' LEU . 51.0 mtmt -90.25 -1.53 57.94 Favored 'General case' 0 C--N 1.325 -0.462 0 CA-C-N 115.751 -0.659 . . . . 0.0 111.976 -173.432 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 47.7 mmtm 56.43 46.07 21.47 Favored 'General case' 0 C--O 1.235 0.329 0 O-C-N 123.413 0.445 . . . . 0.0 110.977 178.018 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 81.3 mt -66.58 117.08 8.25 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-N 115.774 -0.648 . . . . 0.0 110.704 -178.063 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 56' ' ' ASN . . . . . 0.535 ' O ' ' HB2' ' A' ' 62' ' ' HIS . 8.4 p30 -87.58 140.29 29.67 Favored 'General case' 0 C--N 1.326 -0.416 0 N-CA-C 109.981 -0.377 . . . . 0.0 109.981 177.864 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 57' ' ' MET . . . . . . . . . . . . . 24.8 mmt -98.76 14.46 28.67 Favored 'General case' 0 C--N 1.322 -0.623 0 CA-C-O 121.28 0.562 . . . . 0.0 109.967 -179.688 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 58' ' ' MET . . . . . . . . . . . . . 54.4 mtt -78.82 -39.96 34.21 Favored 'General case' 0 C--N 1.323 -0.551 0 CA-C-N 115.283 -0.872 . . . . 0.0 109.339 179.362 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 59' ' ' ASN . . . . . . . . . . . . . 6.1 m-20 -86.62 141.02 29.28 Favored 'General case' 0 C--N 1.323 -0.586 0 CA-C-N 115.37 -0.832 . . . . 0.0 110.072 173.629 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 60' ' ' ALA . . . . . 0.414 ' O ' ' HG2' ' A' ' 64' ' ' LYS . . . -60.33 -25.13 65.56 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.053 -0.521 . . . . 0.0 110.813 178.755 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 40.8 mt-10 -47.42 -62.05 1.62 Allowed 'General case' 0 N--CA 1.464 0.261 0 CA-C-N 115.562 -0.744 . . . . 0.0 111.634 178.738 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 62' ' ' HIS . . . . . 0.535 ' HB2' ' O ' ' A' ' 56' ' ' ASN . 81.5 m-70 -85.33 -18.67 33.11 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-N 116.024 -0.534 . . . . 0.0 111.316 -171.376 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 63' ' ' ARG . . . . . . . . . . . . . 7.8 tpm_? -69.05 -56.96 6.15 Favored 'General case' 0 C--N 1.326 -0.437 0 N-CA-C 109.786 -0.45 . . . . 0.0 109.786 176.426 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 64' ' ' LYS . . . . . 0.414 ' HG2' ' O ' ' A' ' 60' ' ' ALA . 21.5 pttp -68.09 -21.04 64.99 Favored 'General case' 0 C--O 1.222 -0.346 0 N-CA-C 109.77 -0.456 . . . . 0.0 109.77 177.885 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 65' ' ' LEU . . . . . 0.499 ' HB3' ' O ' ' A' ' 62' ' ' HIS . 52.2 tp -55.33 -51.85 65.38 Favored 'General case' 0 C--N 1.332 -0.186 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.295 173.106 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 3.0 tt -59.64 -46.22 89.64 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 115.921 -0.581 . . . . 0.0 109.611 -179.957 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -54.41 -53.64 51.32 Favored 'General case' 0 N--CA 1.466 0.348 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.122 176.517 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 68' ' ' GLN . . . . . 0.405 HE21 ' HB2' ' A' ' 68' ' ' GLN . 14.3 mt-30 -58.15 -49.68 76.17 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.061 -0.518 . . . . 0.0 111.151 -178.659 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 69' ' ' GLU . . . . . 0.413 ' HG3' ' O ' ' A' ' 65' ' ' LEU . 42.5 mt-10 -60.65 -43.23 97.85 Favored 'General case' 0 C--O 1.235 0.311 0 CA-C-O 120.807 0.337 . . . . 0.0 110.594 -179.409 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 70' ' ' MET . . . . . . . . . . . . . 49.6 ttm -60.05 -52.24 66.21 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 115.926 -0.579 . . . . 0.0 111.076 -179.043 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 71' ' ' VAL . . . . . . . . . . . . . 97.3 t -61.33 -34.62 61.77 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.358 0 CA-C-N 116.055 -0.521 . . . . 0.0 110.831 -179.086 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 50.4 m -65.29 -37.81 88.32 Favored 'General case' 0 C--N 1.325 -0.48 0 N-CA-C 111.907 0.336 . . . . 0.0 111.907 -178.861 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 73' ' ' PHE . . . . . . . . . . . . . 62.9 t80 -92.59 -47.37 7.15 Favored 'General case' 0 C--N 1.325 -0.477 0 N-CA-C 111.903 0.334 . . . . 0.0 111.903 -174.058 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 74' ' ' LEU . . . . . . . . . . . . . 83.0 mt -80.59 -47.46 14.12 Favored 'General case' 0 C--N 1.325 -0.465 0 CA-C-O 120.869 0.366 . . . . 0.0 111.941 -173.211 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 75' ' ' PHE . . . . . . . . . . . . . 58.1 t80 -89.1 -42.99 11.38 Favored 'General case' 0 C--N 1.323 -0.545 0 CA-C-O 120.869 0.366 . . . . 0.0 110.32 -177.85 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 32.7 tt0 60.74 90.31 0.07 Allowed 'General case' 0 C--N 1.331 -0.215 0 CA-C-N 114.933 -1.03 . . . . 0.0 110.525 -176.628 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . 157.32 44.47 0.02 OUTLIER Glycine 0 N--CA 1.445 -0.747 0 C-N-CA 120.674 -0.774 . . . . 0.0 112.295 -178.113 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 78' ' ' LYS . . . . . 0.509 ' O ' ' HD2' ' A' ' 78' ' ' LYS . 2.8 pptp? -99.04 139.2 35.04 Favored 'General case' 0 C--N 1.324 -0.509 0 CA-C-O 121.075 0.464 . . . . 0.0 110.585 178.56 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 79' ' ' ASP . . . . . . . . . . . . . 5.3 m-20 -90.39 -32.1 16.59 Favored 'General case' 0 C--N 1.319 -0.757 0 CA-C-N 115.929 -0.578 . . . . 0.0 110.01 176.299 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 80' ' ' VAL . . . . . 0.485 ' O ' ' HD3' ' A' ' 78' ' ' LYS . 46.2 t . . . . . 0 C--N 1.326 -0.447 0 CA-C-N 115.369 -0.832 . . . . 0.0 110.746 -177.574 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 3' ' ' ARG . . . . . . . . . . . . . 39.4 ttm180 . . . . . 0 N--CA 1.453 -0.305 0 N-CA-C 109.973 -0.38 . . . . 0.0 109.973 . . . . . . . . . 0 0 . 1 . 019 nuclear orig core ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 17.1 m -86.09 115.51 23.72 Favored 'General case' 0 C--N 1.318 -0.766 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.715 -178.348 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 5' ' ' ILE . . . . . . . . . . . . . 2.7 pp -120.43 169.13 12.05 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 CA-C-N 116.305 -0.407 . . . . 0.0 110.776 179.613 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 6' ' ' PHE . . . . . . . . . . . . . 75.1 t80 -96.56 109.44 22.03 Favored 'General case' 0 C--N 1.322 -0.6 0 N-CA-C 109.319 -0.622 . . . . 0.0 109.319 176.537 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 7' ' ' CYS . . . . . 0.79 ' SG ' ' HB2' ' A' ' 10' ' ' LEU . 9.5 p -87.29 140.16 29.83 Favored 'General case' 0 C--N 1.319 -0.742 0 CA-C-N 116.125 -0.489 . . . . 0.0 111.15 -175.742 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 20.2 m -64.7 -52.55 56.57 Favored 'General case' 0 C--N 1.324 -0.531 0 CA-C-N 115.991 -0.55 . . . . 0.0 111.721 -177.801 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 9' ' ' TYR . . . . . . . . . . . . . 41.6 t80 -67.88 -34.7 77.18 Favored 'General case' 0 C--N 1.325 -0.469 0 N-CA-C 112.474 0.546 . . . . 0.0 112.474 -170.993 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 10' ' ' LEU . . . . . 0.79 ' HB2' ' SG ' ' A' ' 7' ' ' CYS . 92.1 mt -97.09 -23.87 16.03 Favored 'General case' 0 C--N 1.326 -0.443 0 C-N-CA 120.858 -0.337 . . . . 0.0 111.755 -176.744 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 28.2 mm-40 62.15 32.06 17.49 Favored 'General case' 0 N--CA 1.468 0.468 0 CA-C-O 120.892 0.377 . . . . 0.0 111.298 179.33 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 17.7 ptt180 -147.74 -179.07 6.62 Favored 'General case' 0 C--N 1.326 -0.456 0 CA-C-N 116.408 -0.36 . . . . 0.0 110.565 179.637 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 10.1 m-20 -67.72 125.31 25.83 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.278 -0.419 . . . . 0.0 110.637 -178.961 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -140.16 178.55 7.2 Favored 'General case' 0 C--N 1.321 -0.65 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.223 177.742 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 14.6 pt-20 -97.8 132.63 43.24 Favored 'General case' 0 C--N 1.322 -0.596 0 CA-C-O 121.314 0.578 . . . . 0.0 110.815 -177.217 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . -67.96 122.69 16.85 Favored Glycine 0 N--CA 1.444 -0.816 0 CA-C-N 115.476 -0.784 . . . . 0.0 112.13 178.996 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 17' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -60.38 101.73 0.14 Allowed 'General case' 0 C--N 1.322 -0.594 0 C-N-CA 122.704 0.402 . . . . 0.0 111.588 178.932 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 22.0 t70 -92.81 75.67 4.89 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.981 0.42 . . . . 0.0 110.182 178.932 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 33.2 m-85 -152.45 123.49 7.54 Favored 'General case' 0 C--N 1.323 -0.547 0 CA-C-N 116.065 -0.516 . . . . 0.0 111.009 -179.34 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 81.5 mm-40 -134.07 117.54 16.74 Favored 'General case' 0 C--N 1.322 -0.624 0 CA-C-N 116.071 -0.513 . . . . 0.0 109.683 173.907 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 21' ' ' LEU . . . . . 0.421 HD11 ' N ' ' A' ' 21' ' ' LEU . 4.5 mp -111.85 -84.61 0.57 Allowed 'General case' 0 C--N 1.325 -0.48 0 CA-C-O 121.22 0.533 . . . . 0.0 110.101 -175.706 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 22' ' ' TYR . . . . . 0.484 ' N ' ' HD2' ' A' ' 23' ' ' PRO . 10.5 p90 -108.2 -30.04 0.17 Allowed Pre-proline 0 CA--C 1.543 0.695 0 N-CA-C 113.199 0.815 . . . . 0.0 113.199 177.59 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 23' ' ' PRO . . . . . 0.484 ' HD2' ' N ' ' A' ' 22' ' ' TYR . 73.9 Cg_endo -75.73 169.09 22.98 Favored 'Trans proline' 0 C--N 1.365 1.401 0 CA-C-N 120.81 1.325 . . . . 0.0 111.77 175.239 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -127.97 -110.98 1.6 Allowed Glycine 0 N--CA 1.447 -0.596 0 C-N-CA 120.504 -0.855 . . . . 0.0 112.467 -178.996 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 9.2 pt-20 -62.18 -35.13 77.89 Favored 'General case' 0 C--N 1.326 -0.433 0 N-CA-C 112.042 0.386 . . . . 0.0 112.042 -175.272 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 56.7 tp -66.28 -40.51 90.13 Favored 'General case' 0 C--N 1.329 -0.318 0 N-CA-C 109.315 -0.624 . . . . 0.0 109.315 177.117 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . -65.17 -47.92 75.72 Favored Glycine 0 N--CA 1.446 -0.665 0 N-CA-C 111.107 -0.797 . . . . 0.0 111.107 176.795 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 99.4 mttt -52.52 -50.07 63.58 Favored 'General case' 0 C--N 1.331 -0.216 0 C-N-CA 122.182 0.193 . . . . 0.0 110.948 177.994 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 46.6 ttt180 -50.59 -52.67 36.98 Favored 'General case' 0 C--N 1.331 -0.202 0 CA-C-N 116.321 -0.4 . . . . 0.0 110.705 179.098 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 30' ' ' ILE . . . . . . . . . . . . . 74.3 mt -60.83 -49.84 82.94 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.075 -0.511 . . . . 0.0 110.846 -179.857 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 31' ' ' TYR . . . . . . . . . . . . . 21.5 m-85 -67.29 -11.09 56.66 Favored 'General case' 0 C--N 1.324 -0.52 0 N-CA-C 112.662 0.615 . . . . 0.0 112.662 -173.759 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 32' ' ' ASN . . . . . . . . . . . . . 11.3 m-80 -87.28 -32.1 19.88 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-O 120.61 0.243 . . . . 0.0 111.36 179.137 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 10.7 pt-20 -112.86 -4.04 14.04 Favored 'General case' 0 C--N 1.324 -0.534 0 CA-C-O 121.044 0.45 . . . . 0.0 111.312 -176.678 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 34' ' ' ILE . . . . . . . . . . . . . 11.1 mm -117.39 125.64 74.13 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.606 0 CA-C-O 121.392 0.615 . . . . 0.0 110.802 177.307 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 42.8 t -83.45 162.44 20.97 Favored 'General case' 0 C--N 1.321 -0.669 0 CA-C-N 115.145 -0.934 . . . . 0.0 110.079 177.421 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 84.0 mttt -57.17 -24.98 58.06 Favored 'General case' 0 C--N 1.322 -0.616 0 CA-C-N 115.173 -0.921 . . . . 0.0 110.283 176.962 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 37' ' ' ASP . . . . . 0.593 ' O ' ' HG3' ' A' ' 41' ' ' GLN . 20.4 m-20 -60.16 -64.21 1.03 Allowed 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 115.709 -0.678 . . . . 0.0 110.358 176.369 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -66.42 -38.43 87.43 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 115.929 -0.578 . . . . 0.0 111.315 -175.986 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 39' ' ' TRP . . . . . . . . . . . . . 77.4 t-105 -59.84 -47.27 86.41 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.073 -0.512 . . . . 0.0 110.528 -179.983 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -67.57 -40.49 84.87 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.101 -0.499 . . . . 0.0 111.299 -179.562 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 41' ' ' GLN . . . . . 0.593 ' HG3' ' O ' ' A' ' 37' ' ' ASP . 24.9 mt-30 -60.5 -43.82 96.64 Favored 'General case' 0 CA--C 1.519 -0.226 0 CA-C-N 116.476 -0.329 . . . . 0.0 110.896 -179.876 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 42' ' ' TRP . . . . . . . . . . . . . 30.0 t-105 -65.43 -52.09 55.66 Favored 'General case' 0 N--CA 1.453 -0.321 0 CA-C-N 116.449 -0.341 . . . . 0.0 110.945 -177.8 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 43' ' ' GLN . . . . . . . . . . . . . 80.4 mt-30 -58.9 -39.56 81.84 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.682 0.277 . . . . 0.0 110.648 -179.385 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 44' ' ' HIS . . . . . . . . . . . . . 15.3 t-80 -64.44 -51.56 62.5 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-N 116.397 -0.365 . . . . 0.0 110.44 178.513 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 16.1 tppt? -58.06 -48.29 80.58 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 115.842 -0.617 . . . . 0.0 111.182 179.694 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 46' ' ' GLN . . . . . 0.501 ' O ' HG13 ' A' ' 50' ' ' ILE . 25.5 tt0 -67.24 -45.6 76.24 Favored 'General case' 0 N--CA 1.449 -0.498 0 CA-C-N 116.657 -0.247 . . . . 0.0 111.217 -175.501 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 91.4 m -58.47 -41.98 86.46 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-O 120.934 0.397 . . . . 0.0 110.307 179.008 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 48' ' ' MET . . . . . 0.488 ' O ' ' HG3' ' A' ' 52' ' ' GLU . 28.1 ttt -62.18 -45.13 94.77 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-O 121.133 0.492 . . . . 0.0 110.237 175.621 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 11.1 tp -60.21 -43.23 96.13 Favored 'General case' 0 C--N 1.325 -0.461 0 CA-C-N 115.233 -0.894 . . . . 0.0 110.786 -177.894 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 50' ' ' ILE . . . . . 0.501 HG13 ' O ' ' A' ' 46' ' ' GLN . 88.5 mt -59.58 -43.31 90.7 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 115.796 -0.638 . . . . 0.0 111.006 178.762 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 51' ' ' ASN . . . . . . . . . . . . . 4.1 m-20 -73.18 -33.89 65.69 Favored 'General case' 0 C--N 1.324 -0.505 0 CA-C-N 116.038 -0.528 . . . . 0.0 111.233 -177.325 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 52' ' ' GLU . . . . . 0.488 ' HG3' ' O ' ' A' ' 48' ' ' MET . 49.9 mt-10 -67.24 -53.51 29.47 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-O 120.969 0.414 . . . . 0.0 110.39 176.722 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 66.9 mttm -69.21 -28.07 66.05 Favored 'General case' 0 C--N 1.324 -0.504 0 CA-C-N 115.848 -0.615 . . . . 0.0 111.091 -177.843 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 92.1 mttt 57.5 78.76 0.22 Allowed 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 115.569 -0.741 . . . . 0.0 110.039 -172.87 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 4.0 pp -133.11 157.24 45.81 Favored 'General case' 0 C--N 1.323 -0.547 0 CA-C-N 115.245 -0.888 . . . . 0.0 109.898 -178.794 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 56' ' ' ASN . . . . . . . . . . . . . 18.8 m120 -108.13 136.96 46.93 Favored 'General case' 0 C--N 1.322 -0.613 0 CA-C-O 121.082 0.467 . . . . 0.0 110.966 -178.462 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 57' ' ' MET . . . . . . . . . . . . . 23.3 mmt -85.67 -2.01 57.75 Favored 'General case' 0 C--N 1.326 -0.442 0 CA-C-N 115.749 -0.659 . . . . 0.0 110.356 176.558 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 58' ' ' MET . . . . . . . . . . . . . 65.6 mtt -72.3 -18.3 61.8 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 115.416 -0.811 . . . . 0.0 109.354 173.573 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 59' ' ' ASN . . . . . . . . . . . . . 2.3 m-20 -89.02 137.03 32.69 Favored 'General case' 0 C--N 1.323 -0.56 0 CA-C-N 115.148 -0.933 . . . . 0.0 110.107 -178.809 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 60' ' ' ALA . . . . . 0.527 ' O ' ' HG2' ' A' ' 64' ' ' LYS . . . -63.29 -19.56 64.7 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.344 -0.389 . . . . 0.0 110.637 178.698 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 20.4 mt-10 -56.02 -57.14 13.4 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-O 121.726 0.774 . . . . 0.0 110.005 174.692 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 62' ' ' HIS . . . . . . . . . . . . . 95.3 m-70 -91.24 -15.77 28.7 Favored 'General case' 0 C--N 1.323 -0.561 0 CA-C-N 115.085 -0.961 . . . . 0.0 111.333 -169.605 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 63' ' ' ARG . . . . . 0.407 ' O ' ' HB3' ' A' ' 66' ' ' LEU . 21.7 tpp180 -63.44 -49.4 73.85 Favored 'General case' 0 C--O 1.238 0.48 0 CA-C-O 121.085 0.469 . . . . 0.0 110.032 175.441 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 64' ' ' LYS . . . . . 0.527 ' HG2' ' O ' ' A' ' 60' ' ' ALA . 18.9 pttm -73.04 -34.13 66.13 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.124 177.139 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 65' ' ' LEU . . . . . 0.542 ' O ' ' HG3' ' A' ' 69' ' ' GLU . 47.9 tp -55.85 -46.04 78.3 Favored 'General case' 0 N--CA 1.463 0.206 0 N-CA-C 109.862 -0.421 . . . . 0.0 109.862 175.504 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 66' ' ' LEU . . . . . 0.467 HD12 HE22 ' A' ' 46' ' ' GLN . 8.9 tp -48.4 -57.09 6.56 Favored 'General case' 0 C--N 1.332 -0.174 0 CA-C-N 115.79 -0.641 . . . . 0.0 110.861 173.344 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 2.4 tm-20 -53.94 -43.74 70.07 Favored 'General case' 0 C--O 1.235 0.304 0 CA-C-N 116.11 -0.496 . . . . 0.0 110.618 178.333 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 68' ' ' GLN . . . . . 0.473 ' HA ' ' NZ ' ' A' ' 78' ' ' LYS . 58.0 mt-30 -59.18 -62.58 1.78 Allowed 'General case' 0 C--N 1.321 -0.673 0 CA-C-N 115.799 -0.637 . . . . 0.0 111.359 -179.431 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 69' ' ' GLU . . . . . 0.542 ' HG3' ' O ' ' A' ' 65' ' ' LEU . 17.3 mt-10 -63.92 -41.94 97.52 Favored 'General case' 0 C--N 1.325 -0.498 0 CA-C-N 116.461 -0.336 . . . . 0.0 111.365 -174.092 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 70' ' ' MET . . . . . . . . . . . . . 59.0 ttp -58.56 -54.38 47.7 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.085 -0.507 . . . . 0.0 111.439 -176.229 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 71' ' ' VAL . . . . . 0.441 ' HB ' ' HZ3' ' A' ' 78' ' ' LYS . 96.3 t -64.04 -38.24 81.92 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.409 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.124 -178.177 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 72' ' ' SER . . . . . 0.592 ' OG ' ' HE2' ' A' ' 78' ' ' LYS . 68.4 m -73.35 -12.59 60.88 Favored 'General case' 0 C--N 1.327 -0.372 0 N-CA-C 111.939 0.348 . . . . 0.0 111.939 -178.524 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 73' ' ' PHE . . . . . . . . . . . . . 55.7 t80 -98.41 -44.94 6.32 Favored 'General case' 0 C--N 1.325 -0.481 0 C-N-CA 120.662 -0.415 . . . . 0.0 110.819 177.248 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 74' ' ' LEU . . . . . . . . . . . . . 97.0 mt -78.17 -49.6 13.52 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 116.335 -0.393 . . . . 0.0 111.565 -176.684 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 75' ' ' PHE . . . . . . . . . . . . . 20.3 m-30 -95.41 -11.16 28.11 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.884 0.373 . . . . 0.0 110.207 179.556 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 76' ' ' GLU . . . . . 0.544 ' HA ' ' O ' ' A' ' 72' ' ' SER . 50.2 mt-10 70.67 -75.56 0.07 Allowed 'General case' 0 N--CA 1.466 0.358 0 CA-C-N 115.252 -0.886 . . . . 0.0 112.479 177.562 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . -92.74 88.18 1.28 Allowed Glycine 0 N--CA 1.445 -0.72 0 C-N-CA 120.651 -0.785 . . . . 0.0 113.971 -168.147 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 78' ' ' LYS . . . . . 0.592 ' HE2' ' OG ' ' A' ' 72' ' ' SER . 0.0 OUTLIER -121.58 159.6 26.08 Favored 'General case' 0 C--N 1.328 -0.337 0 N-CA-C 109.649 -0.5 . . . . 0.0 109.649 170.672 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 79' ' ' ASP . . . . . . . . . . . . . 43.7 m-20 -89.77 -16.19 30.79 Favored 'General case' 0 C--N 1.326 -0.433 0 N-CA-C 113.636 0.976 . . . . 0.0 113.636 -165.357 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 80' ' ' VAL . . . . . 0.504 ' HB ' ' HE3' ' A' ' 78' ' ' LYS . 67.0 t . . . . . 0 C--N 1.323 -0.552 0 N-CA-C 110.01 -0.367 . . . . 0.0 110.01 177.179 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 3' ' ' ARG . . . . . . . . . . . . . 30.3 tpt180 . . . . . 0 N--CA 1.454 -0.274 0 CA-C-O 121.089 0.471 . . . . 0.0 110.975 . . . . . . . . . 0 0 . 1 . 020 nuclear orig core ' A' A ' 4' ' ' THR . . . . . 0.422 ' HA ' ' O ' ' A' ' 14' ' ' ALA . 22.7 p -87.02 103.72 15.63 Favored 'General case' 0 C--N 1.324 -0.539 0 CA-C-N 115.506 -0.77 . . . . 0.0 110.798 177.494 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 5' ' ' ILE . . . . . . . . . . . . . 2.8 pp -103.34 170.02 1.89 Allowed 'Isoleucine or valine' 0 C--N 1.321 -0.64 0 CA-C-N 115.955 -0.566 . . . . 0.0 110.688 -179.69 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 6' ' ' PHE . . . . . . . . . . . . . 83.4 m-85 -100.77 98.32 8.86 Favored 'General case' 0 C--N 1.322 -0.626 0 CA-C-O 120.993 0.425 . . . . 0.0 110.097 178.731 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 7' ' ' CYS . . . . . 0.45 ' HA ' ' O ' ' A' ' 33' ' ' GLU . 53.0 t -65.6 134.17 52.72 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-N 115.727 -0.67 . . . . 0.0 111.08 -176.862 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 8.8 p -58.85 -47.86 83.4 Favored 'General case' 0 C--N 1.325 -0.485 0 CA-C-N 115.949 -0.569 . . . . 0.0 111.965 -179.333 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 9' ' ' TYR . . . . . . . . . . . . . 60.7 t80 -73.89 -37.43 64.69 Favored 'General case' 0 C--N 1.324 -0.528 0 CA-C-N 115.929 -0.578 . . . . 0.0 111.656 -174.863 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 93.7 mt -86.85 -28.4 22.9 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-N 116.569 -0.287 . . . . 0.0 111.756 -175.944 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 29.1 mm-40 59.86 36.25 21.9 Favored 'General case' 0 N--CA 1.466 0.325 0 CA-C-O 120.965 0.412 . . . . 0.0 111.185 -179.575 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 6.9 ptp180 -151.38 176.96 10.76 Favored 'General case' 0 C--N 1.324 -0.51 0 CA-C-N 116.005 -0.543 . . . . 0.0 109.909 -179.192 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 7.6 m-20 -66.02 124.72 23.34 Favored 'General case' 0 C--N 1.327 -0.407 0 O-C-N 123.669 0.606 . . . . 0.0 110.067 177.033 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 14' ' ' ALA . . . . . 0.422 ' O ' ' HA ' ' A' ' 4' ' ' THR . . . -142.54 179.6 6.87 Favored 'General case' 0 C--N 1.318 -0.763 0 CA-C-N 116.408 -0.36 . . . . 0.0 110.664 -178.731 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 16.4 pt-20 -94.85 144.53 25.57 Favored 'General case' 0 C--N 1.322 -0.594 0 CA-C-N 116.722 -0.217 . . . . 0.0 110.439 -179.063 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . -63.17 105.61 1.08 Allowed Glycine 0 N--CA 1.451 -0.327 0 N-CA-C 110.113 -1.195 . . . . 0.0 110.113 168.665 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 17' ' ' GLN . . . . . 0.624 ' HG3' ' N ' ' A' ' 18' ' ' ASP . 12.0 pt20 -44.48 -57.59 3.48 Favored 'General case' 0 CA--C 1.53 0.209 0 N-CA-C 113.727 1.01 . . . . 0.0 113.727 -163.576 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 18' ' ' ASP . . . . . 0.624 ' N ' ' HG3' ' A' ' 17' ' ' GLN . 0.9 OUTLIER -162.34 -158.4 0.52 Allowed 'General case' 0 C--N 1.323 -0.556 0 C-N-CA 120.645 -0.422 . . . . 0.0 110.496 -171.287 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 54.4 m-85 -112.65 177.95 4.46 Favored 'General case' 0 C--N 1.322 -0.6 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.476 -177.486 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 51.5 mt-30 -86.94 120.06 27.82 Favored 'General case' 0 C--N 1.325 -0.459 0 CA-C-O 120.949 0.404 . . . . 0.0 110.353 178.394 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 4.3 mp -90.31 -55.13 3.72 Favored 'General case' 0 C--N 1.324 -0.517 0 CA-C-N 115.871 -0.604 . . . . 0.0 109.458 179.002 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 22' ' ' TYR . . . . . 0.58 ' H ' ' CD ' ' A' ' 23' ' ' PRO . 24.9 p90 -149.37 -33.74 0.0 OUTLIER Pre-proline 0 CA--C 1.54 0.593 0 N-CA-C 112.975 0.732 . . . . 0.0 112.975 177.074 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 23' ' ' PRO . . . . . 0.58 ' CD ' ' H ' ' A' ' 22' ' ' TYR . 52.8 Cg_exo -57.8 136.96 78.66 Favored 'Trans proline' 0 C--N 1.364 1.35 0 C-N-CA 121.234 1.289 . . . . 0.0 111.802 173.68 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -93.83 -114.33 2.45 Favored Glycine 0 N--CA 1.451 -0.358 0 C-N-CA 121.339 -0.458 . . . . 0.0 113.028 -171.085 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -64.08 -41.97 97.13 Favored 'General case' 0 C--N 1.332 -0.166 0 CA-C-O 120.629 0.252 . . . . 0.0 111.035 -175.321 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 63.0 tp -67.09 -35.21 79.29 Favored 'General case' 0 C--N 1.327 -0.396 0 N-CA-C 109.681 -0.489 . . . . 0.0 109.681 176.176 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 27' ' ' GLY . . . . . 0.473 ' HA3' ' HB2' ' A' ' 23' ' ' PRO . . . -62.41 -53.02 45.05 Favored Glycine 0 N--CA 1.445 -0.743 0 CA-C-N 115.561 -0.745 . . . . 0.0 111.718 176.509 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 48.0 tttm -54.98 -45.27 74.99 Favored 'General case' 0 N--CA 1.452 -0.365 0 O-C-N 123.738 0.316 . . . . 0.0 110.515 178.453 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 33.4 ttt180 -52.47 -39.36 61.08 Favored 'General case' 0 C--O 1.224 -0.249 0 CA-C-N 115.547 -0.752 . . . . 0.0 111.057 179.835 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 30' ' ' ILE . . . . . . . . . . . . . 76.0 mt -78.43 -46.11 25.51 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.626 0 CA-C-N 116.701 -0.227 . . . . 0.0 111.397 179.582 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 31' ' ' TYR . . . . . . . . . . . . . 22.6 m-85 -60.47 -30.64 69.8 Favored 'General case' 0 CA--C 1.533 0.289 0 N-CA-C 113.049 0.759 . . . . 0.0 113.049 -172.02 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 32' ' ' ASN . . . . . 0.434 ' C ' HD21 ' A' ' 32' ' ' ASN . 0.4 OUTLIER -103.61 0.23 30.5 Favored 'General case' 0 C--N 1.329 -0.316 0 N-CA-C 112.694 0.628 . . . . 0.0 112.694 -177.342 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 33' ' ' GLU . . . . . 0.45 ' O ' ' HA ' ' A' ' 7' ' ' CYS . 52.5 mm-40 -112.34 -15.39 13.15 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-O 121.158 0.504 . . . . 0.0 110.562 176.126 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 34' ' ' ILE . . . . . 0.41 ' HA ' ' HG ' ' A' ' 7' ' ' CYS . 1.6 mm -113.58 136.15 50.9 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.541 0 CA-C-O 121.396 0.617 . . . . 0.0 111.255 179.66 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 43.4 t -82.43 151.46 26.57 Favored 'General case' 0 N--CA 1.448 -0.572 0 CA-C-N 115.316 -0.856 . . . . 0.0 109.868 176.62 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 36' ' ' LYS . . . . . 0.424 ' HE3' ' O ' ' A' ' 17' ' ' GLN . 4.7 tppp? -57.79 -28.25 63.84 Favored 'General case' 0 C--N 1.324 -0.527 0 CA-C-N 115.961 -0.563 . . . . 0.0 110.226 178.099 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 22.3 t70 -61.05 -53.27 59.23 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-O 120.995 0.426 . . . . 0.0 110.431 176.348 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -68.56 -36.34 78.63 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.076 -0.511 . . . . 0.0 110.645 -179.718 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 39' ' ' TRP . . . . . 0.466 ' O ' ' HG3' ' A' ' 43' ' ' GLN . 76.2 t-105 -61.03 -40.78 94.9 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 115.828 -0.624 . . . . 0.0 110.342 176.829 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -72.43 -45.61 58.83 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 115.967 -0.561 . . . . 0.0 110.983 178.592 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 15.6 mm100 -59.2 -39.71 83.47 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.079 -0.509 . . . . 0.0 111.272 179.445 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 42' ' ' TRP . . . . . . . . . . . . . 38.2 t-105 -63.03 -56.66 15.05 Favored 'General case' 0 C--O 1.22 -0.451 0 C-N-CA 120.828 -0.349 . . . . 0.0 110.916 177.918 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 43' ' ' GLN . . . . . 0.466 ' HG3' ' O ' ' A' ' 39' ' ' TRP . 39.1 mt-30 -61.83 -30.91 71.15 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-O 120.859 0.361 . . . . 0.0 111.093 -175.891 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 44' ' ' HIS . . . . . . . . . . . . . 47.8 t-80 -62.45 -49.38 75.65 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-N 115.797 -0.638 . . . . 0.0 110.025 177.291 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 45' ' ' LYS . . . . . 0.67 ' O ' ' HG ' ' A' ' 49' ' ' LEU . 4.2 tppp? -70.87 -37.75 73.06 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-N 115.809 -0.632 . . . . 0.0 110.299 179.179 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 46' ' ' GLN . . . . . 0.489 ' O ' HG13 ' A' ' 50' ' ' ILE . 16.0 tt0 -55.43 -53.84 51.23 Favored 'General case' 0 C--N 1.326 -0.413 0 CA-C-N 115.646 -0.706 . . . . 0.0 110.332 178.978 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 27.4 m -59.33 -39.9 84.61 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-N 115.801 -0.636 . . . . 0.0 110.426 178.837 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 48' ' ' MET . . . . . . . . . . . . . 13.6 tpt -70.64 -14.27 62.41 Favored 'General case' 0 CA--C 1.532 0.271 0 CA-C-O 121.262 0.553 . . . . 0.0 111.155 -178.402 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 49' ' ' LEU . . . . . 0.67 ' HG ' ' O ' ' A' ' 45' ' ' LYS . 83.2 mt -86.52 -44.16 12.17 Favored 'General case' 0 C--N 1.322 -0.604 0 N-CA-C 109.315 -0.624 . . . . 0.0 109.315 172.611 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 50' ' ' ILE . . . . . 0.489 HG13 ' O ' ' A' ' 46' ' ' GLN . 67.5 mt -64.18 -51.77 64.5 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.516 0 CA-C-N 115.185 -0.916 . . . . 0.0 111.814 -177.584 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 51' ' ' ASN . . . . . . . . . . . . . 36.0 p-10 -73.97 -19.22 60.73 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.855 -171.741 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 11.5 mm-40 -93.14 -42.6 9.3 Favored 'General case' 0 C--N 1.324 -0.513 0 CA-C-O 120.859 0.361 . . . . 0.0 111.043 179.89 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 56.7 mttp -79.53 -19.68 48.97 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.77 -179.78 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 56.2 mtpt 60.11 40.57 18.22 Favored 'General case' 0 N--CA 1.461 0.12 0 CA-C-N 115.73 -0.668 . . . . 0.0 110.912 175.351 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 55' ' ' LEU . . . . . 0.51 HD13 ' O ' ' A' ' 55' ' ' LEU . 2.4 pp -98.63 143.42 29.04 Favored 'General case' 0 C--N 1.323 -0.552 0 CA-C-N 116.002 -0.544 . . . . 0.0 111.138 -177.906 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 56' ' ' ASN . . . . . . . . . . . . . 16.9 p30 -95.32 137.03 34.94 Favored 'General case' 0 C--N 1.323 -0.577 0 CA-C-N 115.98 -0.555 . . . . 0.0 110.174 176.825 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 57' ' ' MET . . . . . 0.474 ' O ' ' HG2' ' A' ' 63' ' ' ARG . 15.1 ptp -109.86 15.11 22.88 Favored 'General case' 0 C--N 1.315 -0.896 0 O-C-N 122.109 -0.369 . . . . 0.0 111.34 -175.299 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 58' ' ' MET . . . . . . . . . . . . . 71.9 mtm -75.09 -19.93 59.73 Favored 'General case' 0 C--N 1.325 -0.475 0 N-CA-C 108.437 -0.949 . . . . 0.0 108.437 168.417 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 59' ' ' ASN . . . . . . . . . . . . . 3.9 m-20 -71.09 136.52 48.28 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 114.608 -1.178 . . . . 0.0 109.281 171.169 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -58.45 -41.23 84.66 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-O 120.77 0.319 . . . . 0.0 111.818 -175.669 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 27.4 mm-40 -62.76 -40.35 96.97 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 116.091 -0.504 . . . . 0.0 111.642 -178.083 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 62' ' ' HIS . . . . . . . . . . . . . 39.0 m170 -79.28 -26.48 42.32 Favored 'General case' 0 C--N 1.324 -0.516 0 CA-C-N 116.475 -0.33 . . . . 0.0 111.13 -177.581 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 63' ' ' ARG . . . . . 0.474 ' HG2' ' O ' ' A' ' 57' ' ' MET . 0.0 OUTLIER -68.17 -52.01 39.31 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-O 120.9 0.381 . . . . 0.0 110.1 178.379 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 63.9 pttt -68.35 -27.69 66.48 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 115.907 -0.588 . . . . 0.0 110.445 -178.795 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 1.1 tm? -59.57 -54.66 43.91 Favored 'General case' 0 C--N 1.329 -0.29 0 N-CA-C 109.641 -0.504 . . . . 0.0 109.641 178.069 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 66' ' ' LEU . . . . . 0.435 ' C ' HD21 ' A' ' 66' ' ' LEU . 7.2 tt -56.12 -52.05 65.72 Favored 'General case' 0 C--O 1.226 -0.179 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.104 177.653 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 67' ' ' GLU . . . . . 0.45 ' O ' HG23 ' A' ' 71' ' ' VAL . 42.7 tt0 -51.93 -54.06 33.87 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 115.782 -0.645 . . . . 0.0 111.522 -179.64 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 68' ' ' GLN . . . . . . . . . . . . . 21.1 mt-30 -66.09 -41.67 90.37 Favored 'General case' 0 C--N 1.325 -0.481 0 CA-C-N 116.323 -0.399 . . . . 0.0 111.62 -177.938 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 6.4 tp10 -64.09 -36.4 83.89 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-O 121.246 0.546 . . . . 0.0 110.004 179.504 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 70' ' ' MET . . . . . . . . . . . . . 58.3 ttp -62.27 -47.71 83.13 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 115.487 -0.779 . . . . 0.0 110.511 178.228 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 71' ' ' VAL . . . . . 0.45 HG23 ' O ' ' A' ' 67' ' ' GLU . 55.8 t -60.44 -37.55 75.0 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.415 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.26 178.474 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 72' ' ' SER . . . . . 0.475 ' O ' ' HA ' ' A' ' 76' ' ' GLU . 16.5 m -69.15 -26.65 64.98 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 115.997 -0.547 . . . . 0.0 111.576 -178.234 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 73' ' ' PHE . . . . . . . . . . . . . 43.5 t80 -92.23 -36.21 13.38 Favored 'General case' 0 C--N 1.326 -0.455 0 CA-C-O 120.743 0.306 . . . . 0.0 111.106 -177.894 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 74' ' ' LEU . . . . . . . . . . . . . 10.9 mp -88.74 -40.99 12.83 Favored 'General case' 0 C--N 1.324 -0.506 0 N-CA-C 112.029 0.381 . . . . 0.0 112.029 -176.086 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 75' ' ' PHE . . . . . . . . . . . . . 57.4 t80 -108.64 -24.78 11.2 Favored 'General case' 0 C--N 1.325 -0.469 0 CA-C-N 116.502 -0.317 . . . . 0.0 110.763 -175.713 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 76' ' ' GLU . . . . . 0.475 ' HA ' ' O ' ' A' ' 72' ' ' SER . 48.9 mt-10 72.79 -55.89 0.67 Allowed 'General case' 0 N--CA 1.468 0.465 0 C-N-CA 123.764 0.826 . . . . 0.0 112.049 177.566 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . -82.16 84.64 1.49 Allowed Glycine 0 N--CA 1.45 -0.43 0 C-N-CA 120.951 -0.642 . . . . 0.0 113.008 -176.055 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -111.29 176.08 5.17 Favored 'General case' 0 C--N 1.323 -0.55 0 CA-C-O 120.722 0.296 . . . . 0.0 110.923 177.671 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 79' ' ' ASP . . . . . . . . . . . . . 25.8 m-20 -99.45 -45.13 5.93 Favored 'General case' 0 C--N 1.324 -0.503 0 CA-C-N 116.47 -0.332 . . . . 0.0 111.554 -176.223 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 80' ' ' VAL . . . . . . . . . . . . . 36.1 t . . . . . 0 C--N 1.326 -0.442 0 CA-C-O 121.463 0.649 . . . . 0.0 112.02 -170.729 . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 86.4 mtp . . . . . 0 N--CA 1.479 0.976 0 N-CA-C 110.091 -0.337 . . . . 0.0 110.091 . . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 67.6 m -80.2 104.8 11.0 Favored 'General case' 0 C--N 1.322 -0.624 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.67 179.077 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 3' ' ' ARG . . . . . . . . . . . . . 32.8 tpt180 -81.97 121.31 26.36 Favored 'General case' 0 C--N 1.325 -0.475 0 CA-C-N 115.948 -0.569 . . . . 0.0 109.904 178.708 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 5.5 p -84.99 127.02 34.01 Favored 'General case' 0 C--N 1.323 -0.566 0 CA-C-N 115.841 -0.618 . . . . 0.0 111.69 -176.903 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 5' ' ' ILE . . . . . . . . . . . . . 2.7 pp -132.74 177.5 7.04 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.594 0 CA-C-N 115.74 -0.664 . . . . 0.0 109.656 174.051 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 6' ' ' PHE . . . . . . . . . . . . . 84.6 m-85 -111.69 103.72 12.03 Favored 'General case' 0 C--N 1.321 -0.658 0 CA-C-O 121.021 0.439 . . . . 0.0 109.871 177.34 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 7' ' ' CYS . . . . . 0.427 ' HA ' ' O ' ' A' ' 33' ' ' GLU . 49.2 t -77.24 135.05 38.44 Favored 'General case' 0 C--N 1.322 -0.599 0 CA-C-N 115.719 -0.673 . . . . 0.0 110.722 -176.946 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 4.5 p -59.17 -40.31 85.24 Favored 'General case' 0 C--N 1.325 -0.475 0 CA-C-N 116.018 -0.537 . . . . 0.0 111.611 179.376 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 9' ' ' TYR . . . . . . . . . . . . . 56.3 t80 -75.61 -16.23 60.25 Favored 'General case' 0 C--N 1.322 -0.609 0 CA-C-N 115.829 -0.623 . . . . 0.0 111.477 -174.618 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 96.6 mt -111.06 -31.15 7.21 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.679 -0.237 . . . . 0.0 111.62 -176.796 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 31.2 mm-40 64.0 23.16 13.19 Favored 'General case' 0 N--CA 1.467 0.393 0 CA-C-O 121.059 0.457 . . . . 0.0 111.216 -179.028 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 10.8 ptm180 -144.55 179.14 7.47 Favored 'General case' 0 C--N 1.325 -0.49 0 CA-C-N 115.974 -0.557 . . . . 0.0 110.169 178.408 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 6.2 p-10 -59.87 133.44 56.1 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-N 115.761 -0.654 . . . . 0.0 110.18 174.959 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -145.38 167.24 23.38 Favored 'General case' 0 C--N 1.319 -0.719 0 CA-C-N 115.591 -0.731 . . . . 0.0 110.369 -179.186 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 38.3 tt0 -90.99 128.55 36.86 Favored 'General case' 0 C--N 1.323 -0.575 0 N-CA-C 109.672 -0.492 . . . . 0.0 109.672 -179.396 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . -60.84 153.4 37.77 Favored Glycine 0 N--CA 1.449 -0.466 0 C-N-CA 121.131 -0.557 . . . . 0.0 112.78 -179.282 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 17' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -66.27 171.3 4.9 Favored 'General case' 0 C--N 1.327 -0.376 0 C-N-CA 122.331 0.252 . . . . 0.0 110.95 179.254 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 28.8 m-20 -71.66 -87.57 0.02 OUTLIER 'General case' 0 N--CA 1.464 0.259 0 N-CA-C 112.358 0.503 . . . . 0.0 112.358 -174.143 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 36.9 p90 -163.19 -174.88 4.02 Favored 'General case' 0 C--O 1.237 0.442 0 CA-C-N 116.346 -0.388 . . . . 0.0 110.507 -175.69 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 72.9 mm-40 -74.36 98.5 3.27 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-O 121.353 0.597 . . . . 0.0 110.463 -179.268 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -104.03 5.15 35.15 Favored 'General case' 0 C--N 1.319 -0.749 0 CA-C-N 115.411 -0.813 . . . . 0.0 110.796 -178.948 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 22' ' ' TYR . . . . . 0.489 ' HB3' ' HD3' ' A' ' 23' ' ' PRO . 64.9 t80 -176.0 -49.57 0.0 OUTLIER Pre-proline 0 CA--C 1.534 0.343 0 CA-C-N 115.697 -0.683 . . . . 0.0 110.866 177.525 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 23' ' ' PRO . . . . . 0.489 ' HD3' ' HB3' ' A' ' 22' ' ' TYR . 4.6 Cg_exo -80.15 -171.45 1.25 Allowed 'Trans proline' 0 C--N 1.355 0.873 0 C-N-CA 122.055 1.837 . . . . 0.0 111.883 178.754 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 24' ' ' GLY . . . . . 0.4 ' O ' ' HG2' ' A' ' 28' ' ' LYS . . . -144.84 -83.93 0.06 OUTLIER Glycine 0 N--CA 1.445 -0.755 0 C-N-CA 120.872 -0.68 . . . . 0.0 111.799 177.859 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 18.1 mm-40 -71.69 -48.62 46.16 Favored 'General case' 0 C--N 1.324 -0.512 0 N-CA-C 110.215 -0.291 . . . . 0.0 110.215 -178.647 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 93.8 mt -62.34 -37.12 84.41 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 115.95 -0.568 . . . . 0.0 110.212 176.187 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . -55.46 -60.28 9.09 Favored Glycine 0 N--CA 1.448 -0.538 0 CA-C-N 115.503 -0.771 . . . . 0.0 112.501 -178.986 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 28' ' ' LYS . . . . . 0.4 ' HG2' ' O ' ' A' ' 24' ' ' GLY . 18.4 pttp -68.18 -30.07 69.09 Favored 'General case' 0 C--N 1.326 -0.454 0 C-N-CA 120.748 -0.381 . . . . 0.0 111.748 -176.157 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 37.0 ttp180 -65.58 -28.22 68.99 Favored 'General case' 0 C--N 1.331 -0.213 0 CA-C-O 120.791 0.329 . . . . 0.0 110.598 178.695 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 30' ' ' ILE . . . . . . . . . . . . . 92.8 mt -91.25 -39.26 11.56 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.528 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.815 178.354 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 31' ' ' TYR . . . . . . . . . . . . . 20.2 m-30 -55.54 -33.97 64.3 Favored 'General case' 0 N--CA 1.467 0.419 0 N-CA-C 112.63 0.604 . . . . 0.0 112.63 -177.49 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 32' ' ' ASN . . . . . . . . . . . . . 9.9 p30 -79.29 -11.77 59.94 Favored 'General case' 0 C--N 1.327 -0.373 0 C-N-CA 120.191 -0.604 . . . . 0.0 111.589 -176.992 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 33' ' ' GLU . . . . . 0.427 ' O ' ' HA ' ' A' ' 7' ' ' CYS . 8.3 mm-40 -112.43 -14.33 13.28 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 121.062 0.458 . . . . 0.0 110.736 -179.391 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 34' ' ' ILE . . . . . . . . . . . . . 24.4 mm -123.32 125.39 71.72 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.508 0 CA-C-O 121.441 0.638 . . . . 0.0 112.141 -172.89 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 44.3 t -80.63 161.78 24.53 Favored 'General case' 0 N--CA 1.449 -0.524 0 CA-C-N 114.989 -1.005 . . . . 0.0 110.138 175.713 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 39.7 mttm -52.54 -33.0 43.47 Favored 'General case' 0 C--N 1.325 -0.5 0 CA-C-N 115.7 -0.682 . . . . 0.0 110.709 174.299 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 12.4 t0 -59.22 -60.3 4.07 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 115.387 -0.824 . . . . 0.0 110.498 179.645 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -64.62 -35.16 80.1 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 115.822 -0.626 . . . . 0.0 111.361 -177.519 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 39' ' ' TRP . . . . . . . . . . . . . 66.0 t-105 -58.63 -45.24 89.68 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 115.782 -0.644 . . . . 0.0 109.977 177.505 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -69.34 -42.81 74.81 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 115.804 -0.634 . . . . 0.0 110.94 178.955 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 30.5 mm-40 -52.78 -54.63 31.35 Favored 'General case' 0 C--O 1.235 0.307 0 CA-C-N 116.133 -0.485 . . . . 0.0 111.447 179.894 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 42' ' ' TRP . . . . . . . . . . . . . 37.1 t-105 -67.55 -46.83 71.6 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 116.27 -0.423 . . . . 0.0 111.98 -174.713 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 43' ' ' GLN . . . . . . . . . . . . . 71.5 mt-30 -61.67 -27.83 68.96 Favored 'General case' 0 C--N 1.326 -0.451 0 C-N-CA 120.792 -0.363 . . . . 0.0 111.443 -176.789 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 44' ' ' HIS . . . . . . . . . . . . . 64.0 m170 -70.46 -46.54 63.6 Favored 'General case' 0 C--N 1.325 -0.459 0 CA-C-O 120.994 0.426 . . . . 0.0 109.875 175.342 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 45' ' ' LYS . . . . . 0.532 ' O ' ' HG ' ' A' ' 49' ' ' LEU . 4.2 tppp? -63.96 -45.98 86.7 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 115.637 -0.71 . . . . 0.0 111.398 -178.567 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 46' ' ' GLN . . . . . 0.483 ' O ' HG13 ' A' ' 50' ' ' ILE . 6.7 tp-100 -65.49 -40.74 93.41 Favored 'General case' 0 C--N 1.327 -0.386 0 C-N-CA 121.104 -0.238 . . . . 0.0 110.974 -178.099 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 88.3 m -56.62 -43.01 79.78 Favored 'General case' 0 C--O 1.235 0.327 0 CA-C-O 120.848 0.356 . . . . 0.0 110.044 176.102 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 48' ' ' MET . . . . . . . . . . . . . 15.2 tpt -61.35 -44.54 97.0 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 115.86 -0.609 . . . . 0.0 110.379 175.264 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 49' ' ' LEU . . . . . 0.532 ' HG ' ' O ' ' A' ' 45' ' ' LYS . 85.4 mt -61.38 -41.7 97.53 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.039 -179.558 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 50' ' ' ILE . . . . . 0.483 HG13 ' O ' ' A' ' 46' ' ' GLN . 77.8 mt -61.75 -33.65 58.63 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-O 120.767 0.318 . . . . 0.0 110.832 179.107 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 51' ' ' ASN . . . . . . . . . . . . . 87.8 m-20 -70.53 -29.52 66.03 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-O 120.901 0.381 . . . . 0.0 110.582 178.389 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 13.1 mm-40 -82.75 -46.12 13.55 Favored 'General case' 0 C--N 1.325 -0.485 0 CA-C-N 116.119 -0.491 . . . . 0.0 111.095 179.263 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 93.5 mttt -74.03 -27.73 61.08 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 115.646 -0.707 . . . . 0.0 111.248 -176.678 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 27.2 mtpp 63.27 30.41 15.74 Favored 'General case' 0 N--CA 1.467 0.412 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.767 179.937 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 4.1 pp -85.46 158.2 20.26 Favored 'General case' 0 C--N 1.325 -0.482 0 CA-C-O 121.073 0.463 . . . . 0.0 111.882 -173.313 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 56' ' ' ASN . . . . . . . . . . . . . 9.7 p30 -116.13 150.11 37.92 Favored 'General case' 0 C--N 1.324 -0.538 0 CA-C-N 115.55 -0.75 . . . . 0.0 109.189 175.205 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 57' ' ' MET . . . . . . . . . . . . . 26.3 mmt -89.11 15.77 8.24 Favored 'General case' 0 C--N 1.323 -0.562 0 N-CA-C 111.979 0.362 . . . . 0.0 111.979 -175.764 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 58' ' ' MET . . . . . . . . . . . . . 55.6 mtm -94.7 -2.92 50.28 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-O 121.04 0.448 . . . . 0.0 110.559 179.589 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 59' ' ' ASN . . . . . . . . . . . . . 14.8 m120 -116.24 132.7 56.59 Favored 'General case' 0 C--N 1.323 -0.577 0 CA-C-N 116.359 -0.382 . . . . 0.0 110.166 -179.095 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -57.43 -33.14 67.59 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.078 -0.51 . . . . 0.0 111.036 -179.153 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 30.2 mt-10 -52.41 -57.35 10.11 Favored 'General case' 0 C--O 1.235 0.34 0 CA-C-O 121.712 0.768 . . . . 0.0 110.547 176.712 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 62' ' ' HIS . . . . . . . . . . . . . 67.4 m-70 -80.55 -24.09 39.51 Favored 'General case' 0 C--N 1.322 -0.629 0 CA-C-N 115.185 -0.916 . . . . 0.0 110.521 -173.73 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 63' ' ' ARG . . . . . . . . . . . . . 20.9 tpt180 -69.92 -42.2 73.62 Favored 'General case' 0 C--N 1.325 -0.457 0 CA-C-N 115.932 -0.577 . . . . 0.0 110.207 178.548 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 12.5 pttp -74.08 -22.59 59.45 Favored 'General case' 0 N--CA 1.455 -0.199 0 C-N-CA 120.659 -0.416 . . . . 0.0 110.044 179.476 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -57.88 -53.92 52.8 Favored 'General case' 0 CA--C 1.519 -0.214 0 CA-C-O 120.893 0.378 . . . . 0.0 110.1 171.749 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 55.0 tp -53.83 -46.61 71.23 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 115.368 -0.833 . . . . 0.0 110.622 178.389 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 31.9 tt0 -60.89 -51.48 69.13 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 115.866 -0.606 . . . . 0.0 111.021 -178.422 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 68' ' ' GLN . . . . . . . . . . . . . 42.9 mt-30 -52.17 -58.71 5.78 Favored 'General case' 0 C--O 1.234 0.259 0 CA-C-O 121.062 0.458 . . . . 0.0 111.316 179.042 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 42.1 mt-10 -63.72 -41.97 98.0 Favored 'General case' 0 C--N 1.325 -0.474 0 CA-C-N 115.433 -0.803 . . . . 0.0 111.372 -174.393 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 70' ' ' MET . . . . . . . . . . . . . 28.1 ttt -62.31 -49.83 74.07 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.483 -0.326 . . . . 0.0 111.188 -177.419 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 71' ' ' VAL . . . . . . . . . . . . . 60.6 t -65.96 -39.95 86.03 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.379 0 CA-C-N 116.469 -0.332 . . . . 0.0 110.718 -179.592 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 72' ' ' SER . . . . . 0.515 ' O ' ' HA ' ' A' ' 76' ' ' GLU . 23.3 t -67.1 -36.12 81.26 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-N 116.633 -0.258 . . . . 0.0 111.545 -177.137 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 73' ' ' PHE . . . . . . . . . . . . . 56.9 t80 -80.84 -46.82 14.73 Favored 'General case' 0 C--N 1.323 -0.575 0 CA-C-O 120.577 0.227 . . . . 0.0 111.193 -177.088 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 74' ' ' LEU . . . . . . . . . . . . . 96.4 mt -83.45 -52.57 6.4 Favored 'General case' 0 C--N 1.33 -0.28 0 N-CA-C 112.061 0.393 . . . . 0.0 112.061 -174.557 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 75' ' ' PHE . . . . . . . . . . . . . 48.1 t80 -87.71 -27.71 22.23 Favored 'General case' 0 C--N 1.323 -0.562 0 CA-C-O 120.661 0.267 . . . . 0.0 110.557 -175.228 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 76' ' ' GLU . . . . . 0.515 ' HA ' ' O ' ' A' ' 72' ' ' SER . 58.7 mt-10 72.85 -56.55 0.66 Allowed 'General case' 0 N--CA 1.468 0.442 0 C-N-CA 123.887 0.875 . . . . 0.0 112.148 176.808 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . -78.59 70.18 2.71 Favored Glycine 0 N--CA 1.452 -0.245 0 C-N-CA 121.396 -0.43 . . . . 0.0 113.057 -175.985 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -92.5 170.23 9.92 Favored 'General case' 0 C--N 1.324 -0.53 0 CA-C-O 120.757 0.313 . . . . 0.0 110.98 176.932 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 79' ' ' ASP . . . . . . . . . . . . . 16.8 t70 -113.87 -5.79 13.23 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-O 121.454 0.645 . . . . 0.0 110.215 179.808 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 80' ' ' VAL . . . . . . . . . . . . . 75.2 t -97.65 134.77 34.53 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 CA-C-N 115.658 -0.701 . . . . 0.0 111.081 -177.939 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 81' ' ' HIS . . . . . . . . . . . . . 3.2 m170 -60.94 128.83 38.4 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 115.482 -0.781 . . . . 0.0 110.737 173.809 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 82' ' ' ILE . . . . . . . . . . . . . 45.3 mm -87.04 86.37 2.57 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.694 0 CA-C-O 121.684 0.754 . . . . 0.0 109.379 173.599 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 39.6 mt-10 -121.88 5.6 9.91 Favored 'General case' 0 C--N 1.32 -0.709 0 CA-C-N 114.952 -1.022 . . . . 0.0 108.839 176.603 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 84' ' ' GLY . . . . . . . . . . . . . . . 74.86 -85.64 0.77 Allowed Glycine 0 N--CA 1.442 -0.956 0 CA-C-N 114.821 -1.081 . . . . 0.0 111.599 -178.276 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 85' ' ' TYR . . . . . . . . . . . . . 90.2 m-85 -103.98 143.56 32.71 Favored 'General case' 0 C--N 1.314 -0.964 0 N-CA-C 109.137 -0.69 . . . . 0.0 109.137 -179.057 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 86' ' ' THR . . . . . . . . . . . . . 31.1 m -106.56 112.65 63.61 Favored Pre-proline 0 C--N 1.316 -0.855 0 CA-C-N 116.532 -0.303 . . . . 0.0 110.689 -175.233 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 87' ' ' PRO . . . . . . . . . . . . . 72.6 Cg_endo -79.19 -5.38 14.37 Favored 'Trans proline' 0 C--O 1.233 0.256 0 C-N-CA 122.716 2.277 . . . . 0.0 112.544 -179.065 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 88' ' ' GLU . . . . . . . . . . . . . 32.4 tt0 -95.53 137.76 34.14 Favored 'General case' 0 C--N 1.326 -0.428 0 CA-C-N 116.303 -0.408 . . . . 0.0 110.039 177.454 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 89' ' ' ASP . . . . . . . . . . . . . 14.4 p-10 -67.76 -45.96 73.43 Favored 'General case' 0 C--N 1.326 -0.438 0 CA-C-N 116.072 -0.513 . . . . 0.0 111.104 -176.502 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 2.1 tmtp? -83.57 117.4 23.11 Favored 'General case' 0 C--N 1.324 -0.53 0 N-CA-C 109.772 -0.455 . . . . 0.0 109.772 -178.776 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 91' ' ' LYS . . . . . . . . . . . . . 48.0 mttp . . . . . 0 C--O 1.246 0.875 0 CA-C-O 118.689 -0.672 . . . . 0.0 109.986 -178.429 . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 1.8 pmm? . . . . . 0 N--CA 1.483 1.211 0 CA-C-O 120.824 0.345 . . . . 0.0 110.671 . . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 13.8 m -98.72 156.1 17.01 Favored 'General case' 0 C--N 1.325 -0.463 0 CA-C-O 120.734 0.302 . . . . 0.0 110.475 -177.874 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 3' ' ' ARG . . . . . . . . . . . . . 54.7 ttp180 -122.51 92.37 3.7 Favored 'General case' 0 C--N 1.323 -0.581 0 N-CA-C 109.632 -0.507 . . . . 0.0 109.632 179.51 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 56.7 m -80.7 117.42 21.36 Favored 'General case' 0 C--N 1.323 -0.568 0 CA-C-N 115.924 -0.58 . . . . 0.0 110.865 -177.637 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 5' ' ' ILE . . . . . 0.51 ' O ' ' HA ' ' A' ' 13' ' ' ASP . 2.7 pp -127.52 173.42 12.92 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.71 0 CA-C-N 115.771 -0.65 . . . . 0.0 110.428 -177.973 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 6' ' ' PHE . . . . . . . . . . . . . 99.4 m-85 -98.11 102.85 14.71 Favored 'General case' 0 C--N 1.323 -0.584 0 N-CA-C 109.431 -0.581 . . . . 0.0 109.431 174.915 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 7' ' ' CYS . . . . . 0.408 ' HG ' ' HA ' ' A' ' 34' ' ' ILE . 53.0 t -71.83 138.51 48.35 Favored 'General case' 0 C--N 1.321 -0.638 0 CA-C-N 115.907 -0.588 . . . . 0.0 110.501 -176.754 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 2.4 p -62.47 -41.38 98.74 Favored 'General case' 0 C--N 1.325 -0.487 0 N-CA-C 111.858 0.318 . . . . 0.0 111.858 -178.633 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 9' ' ' TYR . . . . . . . . . . . . . 75.4 t80 -71.19 -27.32 63.42 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-O 120.631 0.253 . . . . 0.0 111.457 -176.181 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 7.3 mp -100.61 -25.66 14.09 Favored 'General case' 0 C--N 1.325 -0.463 0 C-N-CA 121.056 -0.258 . . . . 0.0 111.363 -178.712 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 33.3 mm-40 66.19 9.71 6.53 Favored 'General case' 0 N--CA 1.468 0.453 0 C-N-CA 123.166 0.586 . . . . 0.0 110.978 -176.309 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 56.7 mtt180 -132.07 -176.93 4.23 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 115.969 -0.56 . . . . 0.0 109.871 -177.077 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 13' ' ' ASP . . . . . 0.51 ' HA ' ' O ' ' A' ' 5' ' ' ILE . 9.3 p-10 -78.32 134.57 37.47 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-O 121.592 0.71 . . . . 0.0 111.452 -176.591 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -152.53 179.98 8.1 Favored 'General case' 0 C--N 1.322 -0.615 0 CA-C-N 114.8 -1.091 . . . . 0.0 109.777 179.995 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 15' ' ' GLU . . . . . 0.549 ' O ' ' HA ' ' A' ' 35' ' ' SER . 10.7 tp10 -80.06 129.58 34.6 Favored 'General case' 0 C--N 1.324 -0.512 0 N-CA-C 109.522 -0.548 . . . . 0.0 109.522 179.431 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . -81.28 43.45 2.89 Favored Glycine 0 N--CA 1.452 -0.26 0 C-N-CA 121.258 -0.496 . . . . 0.0 113.794 -174.926 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 17' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER 42.67 65.98 0.84 Allowed 'General case' 0 C--O 1.237 0.415 0 C-N-CA 123.386 0.675 . . . . 0.0 112.331 175.315 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 6.8 p-10 -67.26 119.81 12.76 Favored 'General case' 0 C--N 1.323 -0.555 0 CA-C-O 120.73 0.3 . . . . 0.0 110.605 177.736 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -174.42 -73.7 0.01 OUTLIER 'General case' 0 C--N 1.332 -0.193 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.339 179.484 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 14.5 mm-40 62.11 84.57 0.14 Allowed 'General case' 0 N--CA 1.467 0.403 0 O-C-N 123.581 0.55 . . . . 0.0 110.295 -172.176 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 21' ' ' LEU . . . . . 0.416 HD13 ' N ' ' A' ' 21' ' ' LEU . 3.6 mp -93.69 -74.71 0.52 Allowed 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 115.487 -0.778 . . . . 0.0 110.797 -173.563 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 22' ' ' TYR . . . . . 0.477 ' HB2' ' HD3' ' A' ' 23' ' ' PRO . 27.2 m-85 -113.65 -50.96 0.05 OUTLIER Pre-proline 0 C--N 1.327 -0.399 0 CA-C-N 115.945 -0.57 . . . . 0.0 111.427 -178.329 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 23' ' ' PRO . . . . . 0.477 ' HD3' ' HB2' ' A' ' 22' ' ' TYR . 6.0 Cg_exo -77.63 131.87 11.7 Favored 'Trans proline' 0 C--N 1.359 1.092 0 C-N-CA 121.947 1.765 . . . . 0.0 111.815 -179.107 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 24' ' ' GLY . . . . . 0.416 ' O ' ' HG2' ' A' ' 28' ' ' LYS . . . -91.73 -90.18 1.43 Allowed Glycine 0 N--CA 1.448 -0.539 0 C-N-CA 120.822 -0.704 . . . . 0.0 112.226 -177.733 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 48.0 mt-10 -60.46 -48.0 83.67 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-O 120.409 0.147 . . . . 0.0 110.994 -178.682 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 64.3 tp -65.49 -35.88 82.18 Favored 'General case' 0 C--N 1.326 -0.445 0 CA-C-O 121.063 0.458 . . . . 0.0 110.2 177.805 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 27' ' ' GLY . . . . . 0.421 ' CA ' ' HB2' ' A' ' 23' ' ' PRO . . . -61.77 -54.54 34.64 Favored Glycine 0 N--CA 1.45 -0.408 0 CA-C-N 115.681 -0.69 . . . . 0.0 111.978 -179.71 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 28' ' ' LYS . . . . . 0.416 ' HG2' ' O ' ' A' ' 24' ' ' GLY . 57.9 pttt -71.43 -21.94 61.91 Favored 'General case' 0 C--N 1.327 -0.374 0 C-N-CA 120.874 -0.33 . . . . 0.0 110.935 -179.222 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 79.3 ttt180 -63.31 -31.98 73.28 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-O 121.042 0.449 . . . . 0.0 110.192 175.063 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 30' ' ' ILE . . . . . . . . . . . . . 73.5 mt -86.28 -47.11 16.54 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 CA-C-N 116.0 -0.545 . . . . 0.0 110.613 176.656 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 31' ' ' TYR . . . . . . . . . . . . . 21.9 m-85 -68.04 -19.83 64.93 Favored 'General case' 0 N--CA 1.464 0.229 0 N-CA-C 112.542 0.571 . . . . 0.0 112.542 -173.851 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 32' ' ' ASN . . . . . . . . . . . . . 35.8 p30 -69.72 -15.92 63.24 Favored 'General case' 0 C--N 1.327 -0.397 0 O-C-N 122.221 -0.299 . . . . 0.0 111.599 -177.39 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 39.9 mt-10 -137.73 22.91 2.89 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-O 120.836 0.351 . . . . 0.0 110.932 177.12 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 34' ' ' ILE . . . . . 0.409 ' CD1' ' HB3' ' A' ' 74' ' ' LEU . 17.2 mm -130.8 124.1 55.81 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 CA-C-O 121.042 0.448 . . . . 0.0 110.993 178.576 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 35' ' ' SER . . . . . 0.549 ' HA ' ' O ' ' A' ' 15' ' ' GLU . 26.9 p -80.66 161.27 24.74 Favored 'General case' 0 N--CA 1.449 -0.507 0 CA-C-N 115.548 -0.751 . . . . 0.0 110.889 178.271 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 95.9 mttt -62.83 -30.58 71.6 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-N 115.907 -0.588 . . . . 0.0 109.805 176.542 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 13.9 m-20 -63.53 -52.75 59.81 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 115.688 -0.687 . . . . 0.0 110.036 177.451 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -62.95 -44.04 97.14 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 115.897 -0.592 . . . . 0.0 110.842 -179.409 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 39' ' ' TRP . . . . . . . . . . . . . 68.0 t-105 -60.82 -53.44 57.37 Favored 'General case' 0 C--N 1.331 -0.216 0 CA-C-N 116.079 -0.509 . . . . 0.0 110.957 -179.936 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -62.31 -44.76 95.76 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.258 -0.428 . . . . 0.0 111.167 -177.252 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 14.4 mm100 -64.9 -37.88 89.11 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 116.633 -0.258 . . . . 0.0 111.421 -179.066 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 42' ' ' TRP . . . . . 0.433 ' CZ2' ' HB3' ' A' ' 69' ' ' GLU . 24.2 t-105 -65.09 -49.74 68.83 Favored 'General case' 0 C--N 1.33 -0.27 0 C-N-CA 120.668 -0.413 . . . . 0.0 110.713 177.113 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 43' ' ' GLN . . . . . . . . . . . . . 29.3 mm-40 -60.92 -40.11 91.95 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-O 121.064 0.459 . . . . 0.0 110.247 -179.811 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 44' ' ' HIS . . . . . . . . . . . . . 10.1 t60 -63.97 -46.86 82.78 Favored 'General case' 0 C--N 1.324 -0.519 0 CA-C-N 115.701 -0.681 . . . . 0.0 110.367 178.591 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 45' ' ' LYS . . . . . 0.475 ' HZ1' HD11 ' A' ' 49' ' ' LEU . 24.8 tptp -61.13 -44.88 96.65 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 115.686 -0.688 . . . . 0.0 110.473 178.977 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 46' ' ' GLN . . . . . 0.448 ' O ' HG13 ' A' ' 50' ' ' ILE . 25.0 tp60 -60.68 -38.92 86.55 Favored 'General case' 0 C--N 1.325 -0.464 0 CA-C-N 115.798 -0.637 . . . . 0.0 110.494 178.673 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 64.1 m -58.68 -44.12 90.17 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.856 178.52 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 48' ' ' MET . . . . . . . . . . . . . 25.9 ttt -63.06 -44.35 96.07 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 121.002 0.43 . . . . 0.0 110.524 178.785 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 49' ' ' LEU . . . . . 0.475 HD11 ' HZ1' ' A' ' 45' ' ' LYS . 8.8 mp -61.93 -37.15 83.62 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 115.935 -0.575 . . . . 0.0 111.52 -179.058 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 50' ' ' ILE . . . . . 0.448 HG13 ' O ' ' A' ' 46' ' ' GLN . 84.6 mt -61.7 -41.6 91.08 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.346 0 CA-C-N 116.292 -0.413 . . . . 0.0 110.4 176.725 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 51' ' ' ASN . . . . . . . . . . . . . 27.7 m-80 -68.62 -41.04 80.05 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.016 -0.538 . . . . 0.0 110.738 178.959 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 51.4 mm-40 -68.02 -50.1 57.45 Favored 'General case' 0 C--N 1.325 -0.465 0 CA-C-N 115.943 -0.571 . . . . 0.0 112.055 -177.954 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 50.1 mtmt -88.54 0.02 56.76 Favored 'General case' 0 C--N 1.325 -0.459 0 C-N-CA 121.13 -0.228 . . . . 0.0 111.461 -174.408 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 13.8 mptt 58.3 69.34 0.74 Allowed 'General case' 0 C--O 1.234 0.243 0 CA-C-O 121.344 0.592 . . . . 0.0 111.358 178.373 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 55' ' ' LEU . . . . . 0.418 HD23 ' CE1' ' A' ' 62' ' ' HIS . 20.0 mt -110.15 148.18 32.27 Favored 'General case' 0 C--N 1.322 -0.613 0 CA-C-N 115.796 -0.638 . . . . 0.0 109.779 178.491 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 56' ' ' ASN . . . . . . . . . . . . . 59.9 t30 -112.37 119.08 37.05 Favored 'General case' 0 C--N 1.323 -0.58 0 N-CA-C 109.059 -0.719 . . . . 0.0 109.059 171.954 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 57' ' ' MET . . . . . . . . . . . . . 0.7 OUTLIER -84.62 65.23 8.93 Favored 'General case' 0 C--N 1.323 -0.579 0 CA-C-O 121.408 0.623 . . . . 0.0 111.979 -169.127 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 58' ' ' MET . . . . . . . . . . . . . 24.8 ptt? -133.67 -27.44 1.51 Allowed 'General case' 0 C--N 1.323 -0.566 0 CA-C-N 115.386 -0.824 . . . . 0.0 110.119 173.93 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 59' ' ' ASN . . . . . . . . . . . . . 2.1 m-20 -74.81 141.23 44.34 Favored 'General case' 0 C--O 1.236 0.35 0 CA-C-N 116.274 -0.421 . . . . 0.0 110.705 -178.062 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -63.2 -25.56 68.39 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.582 178.764 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 6.3 mm-40 -61.65 -38.4 87.56 Favored 'General case' 0 C--N 1.325 -0.461 0 CA-C-N 115.865 -0.607 . . . . 0.0 110.908 177.815 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 62' ' ' HIS . . . . . 0.418 ' CE1' HD23 ' A' ' 55' ' ' LEU . 95.6 m-70 -84.32 -19.19 34.13 Favored 'General case' 0 C--N 1.324 -0.507 0 C-N-CA 120.494 -0.483 . . . . 0.0 109.881 178.302 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 63' ' ' ARG . . . . . . . . . . . . . 33.5 mmt180 -69.84 -47.46 62.61 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.381 174.892 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 64' ' ' LYS . . . . . 0.534 ' HZ2' ' HB3' ' A' ' 64' ' ' LYS . 0.4 OUTLIER -66.63 -35.27 79.77 Favored 'General case' 0 C--O 1.224 -0.271 0 C-N-CA 120.997 -0.281 . . . . 0.0 110.28 177.866 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 1.3 mm? -63.07 -47.57 82.38 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-O 120.902 0.382 . . . . 0.0 110.241 175.536 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 62.2 tp -59.68 -41.19 90.12 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 115.852 -0.613 . . . . 0.0 110.432 176.721 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 32.4 tt0 -63.99 -52.19 60.74 Favored 'General case' 0 C--N 1.324 -0.538 0 CA-C-N 115.863 -0.608 . . . . 0.0 110.64 -179.571 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 68' ' ' GLN . . . . . 0.451 ' NE2' HG12 ' A' ' 82' ' ' ILE . 55.7 mt-30 -57.51 -50.44 73.06 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.943 178.462 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 69' ' ' GLU . . . . . 0.433 ' HB3' ' CZ2' ' A' ' 42' ' ' TRP . 8.0 mm-40 -62.23 -39.7 93.69 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-N 115.995 -0.548 . . . . 0.0 111.498 -179.643 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 70' ' ' MET . . . . . . . . . . . . . 57.0 ttp -64.25 -47.3 80.14 Favored 'General case' 0 C--N 1.324 -0.536 0 CA-C-O 120.863 0.363 . . . . 0.0 110.845 179.882 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 71' ' ' VAL . . . . . . . . . . . . . 47.1 t -73.59 -12.34 15.35 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.442 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.788 -178.907 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 8.0 t -94.14 -50.48 5.27 Favored 'General case' 0 C--N 1.325 -0.459 0 CA-C-O 120.85 0.357 . . . . 0.0 110.97 178.832 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 73' ' ' PHE . . . . . . . . . . . . . 70.9 t80 -70.04 -49.24 53.25 Favored 'General case' 0 C--N 1.323 -0.572 0 CA-C-O 120.953 0.406 . . . . 0.0 111.313 -176.303 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 74' ' ' LEU . . . . . 0.409 ' HB3' ' CD1' ' A' ' 34' ' ' ILE . 77.2 mt -78.31 -55.13 5.48 Favored 'General case' 0 C--N 1.323 -0.548 0 N-CA-C 112.138 0.421 . . . . 0.0 112.138 -173.489 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 75' ' ' PHE . . . . . . . . . . . . . 52.1 t80 -98.33 -40.47 8.3 Favored 'General case' 0 C--N 1.321 -0.638 0 CA-C-O 120.907 0.384 . . . . 0.0 111.023 -174.555 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 6.4 tp10 56.73 67.9 0.93 Allowed 'General case' 0 C--N 1.326 -0.45 0 CA-C-N 115.091 -0.959 . . . . 0.0 110.874 -174.064 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . -146.62 31.36 1.51 Allowed Glycine 0 N--CA 1.445 -0.766 0 CA-C-N 114.906 -1.043 . . . . 0.0 110.829 177.172 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 78' ' ' LYS . . . . . 0.429 ' HD2' ' O ' ' A' ' 78' ' ' LYS . 2.8 pptp? -94.23 144.36 25.58 Favored 'General case' 0 C--N 1.325 -0.497 0 CA-C-N 115.394 -0.403 . . . . 0.0 111.425 -175.112 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 79' ' ' ASP . . . . . . . . . . . . . 22.3 t70 -100.92 -26.09 13.86 Favored 'General case' 0 C--N 1.322 -0.598 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.316 174.969 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 80' ' ' VAL . . . . . . . . . . . . . 16.9 t -65.39 106.17 0.63 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 115.74 -0.664 . . . . 0.0 110.587 -176.817 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 81' ' ' HIS . . . . . . . . . . . . . 36.7 m80 -68.39 131.8 45.94 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 115.771 -0.65 . . . . 0.0 110.796 -176.081 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 82' ' ' ILE . . . . . 0.451 HG12 ' NE2' ' A' ' 68' ' ' GLN . 17.6 mt -97.62 91.57 2.6 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.448 0 CA-C-N 116.424 -0.353 . . . . 0.0 110.823 -177.638 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 33.0 tt0 -118.98 -6.19 10.51 Favored 'General case' 0 C--N 1.322 -0.605 0 CA-C-O 121.348 0.594 . . . . 0.0 109.446 175.315 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 84' ' ' GLY . . . . . . . . . . . . . . . 91.95 -149.07 19.52 Favored Glycine 0 N--CA 1.444 -0.808 0 N-CA-C 111.068 -0.813 . . . . 0.0 111.068 -176.184 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 85' ' ' TYR . . . . . . . . . . . . . 88.1 m-85 61.84 -162.53 0.28 Allowed 'General case' 0 C--N 1.33 -0.254 0 CA-C-O 121.067 0.461 . . . . 0.0 111.008 176.914 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 86' ' ' THR . . . . . . . . . . . . . 9.7 t -129.48 107.74 17.39 Favored Pre-proline 0 C--N 1.32 -0.682 0 CA-C-O 121.257 0.551 . . . . 0.0 109.817 175.409 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 87' ' ' PRO . . . . . . . . . . . . . 63.8 Cg_endo -77.33 130.41 10.97 Favored 'Trans proline' 0 N--CA 1.459 -0.512 0 C-N-CA 122.37 2.046 . . . . 0.0 112.749 -178.257 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 88' ' ' GLU . . . . . . . . . . . . . 1.5 mp0 -67.73 145.45 54.73 Favored 'General case' 0 C--N 1.323 -0.553 0 CA-C-N 115.879 -0.6 . . . . 0.0 109.622 174.586 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 89' ' ' ASP . . . . . . . . . . . . . 10.1 p-10 -69.36 132.33 46.22 Favored 'General case' 0 C--N 1.325 -0.465 0 N-CA-C 109.283 -0.636 . . . . 0.0 109.283 174.984 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 90' ' ' LYS . . . . . 0.485 ' C ' ' HD3' ' A' ' 90' ' ' LYS . 5.8 tmtt? -72.92 109.82 6.76 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-O 121.349 0.595 . . . . 0.0 110.86 -171.887 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 91' ' ' LYS . . . . . . . . . . . . . 94.0 mttt . . . . . 0 C--O 1.247 0.966 0 CA-C-N 115.168 -0.924 . . . . 0.0 109.374 174.444 . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.48 1.062 0 CA-C-O 121.041 0.448 . . . . 0.0 110.246 . . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 61.1 m -111.99 150.32 30.75 Favored 'General case' 0 C--N 1.321 -0.669 0 CA-C-N 115.738 -0.664 . . . . 0.0 110.43 -179.541 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 3' ' ' ARG . . . . . . . . . . . . . 75.5 ttt180 -82.51 100.91 10.37 Favored 'General case' 0 C--N 1.326 -0.429 0 N-CA-C 109.467 -0.568 . . . . 0.0 109.467 177.996 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 11.5 p -76.36 124.07 26.94 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.313 -178.167 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 5' ' ' ILE . . . . . . . . . . . . . 2.7 pp -136.29 178.26 5.25 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.569 0 CA-C-N 115.856 -0.611 . . . . 0.0 110.401 179.828 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 6' ' ' PHE . . . . . . . . . . . . . 95.1 m-85 -112.96 101.87 9.89 Favored 'General case' 0 C--N 1.321 -0.661 0 N-CA-C 109.672 -0.492 . . . . 0.0 109.672 175.83 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 7' ' ' CYS . . . . . 0.535 ' HA ' ' O ' ' A' ' 33' ' ' GLU . 49.8 t -70.49 123.17 21.16 Favored 'General case' 0 C--N 1.323 -0.569 0 N-CA-C 109.902 -0.407 . . . . 0.0 109.902 179.954 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 11.4 p -66.66 -32.11 73.21 Favored 'General case' 0 C--N 1.322 -0.605 0 CA-C-N 116.291 -0.413 . . . . 0.0 111.968 -176.351 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 9' ' ' TYR . . . . . . . . . . . . . 89.2 t80 -65.12 -30.97 71.95 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-O 121.173 0.511 . . . . 0.0 110.61 177.263 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 85.1 mt -98.35 -29.23 13.27 Favored 'General case' 0 C--N 1.324 -0.532 0 CA-C-N 116.165 -0.47 . . . . 0.0 111.248 -176.86 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 84.4 mm-40 62.07 28.43 17.17 Favored 'General case' 0 N--CA 1.465 0.321 0 CA-C-O 121.453 0.644 . . . . 0.0 109.905 -174.923 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 20.7 mtp180 -139.42 174.14 10.82 Favored 'General case' 0 C--N 1.325 -0.498 0 CA-C-N 115.219 -0.9 . . . . 0.0 110.595 -174.273 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 18.2 t70 -68.04 127.66 33.7 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 115.983 -0.553 . . . . 0.0 109.622 175.019 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -143.78 172.42 12.86 Favored 'General case' 0 C--N 1.322 -0.626 0 CA-C-O 121.128 0.489 . . . . 0.0 111.268 -177.315 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 45.3 tt0 -100.25 132.1 45.81 Favored 'General case' 0 C--N 1.321 -0.645 0 CA-C-N 115.589 -0.732 . . . . 0.0 109.677 -179.042 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . -58.42 146.0 41.27 Favored Glycine 0 N--CA 1.448 -0.538 0 C-N-CA 120.975 -0.631 . . . . 0.0 111.618 176.002 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 17' ' ' GLN . . . . . . . . . . . . . 29.0 mt-30 -65.61 -88.36 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.447 0 CA-C-O 121.533 0.682 . . . . 0.0 111.868 -177.053 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 24.8 m-20 -142.3 -167.34 2.46 Favored 'General case' 0 C--N 1.32 -0.69 0 CA-C-N 115.405 -0.816 . . . . 0.0 109.782 -173.223 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 93.5 m-85 -107.96 177.15 4.9 Favored 'General case' 0 C--N 1.316 -0.874 0 CA-C-N 115.863 -0.608 . . . . 0.0 109.541 178.739 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 45.0 mt-30 -78.06 91.61 4.29 Favored 'General case' 0 C--N 1.322 -0.627 0 CA-C-O 120.999 0.428 . . . . 0.0 111.47 -176.765 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -98.0 -10.41 24.47 Favored 'General case' 0 C--N 1.323 -0.549 0 CA-C-N 115.753 -0.658 . . . . 0.0 111.165 178.816 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 22' ' ' TYR . . . . . 0.525 ' HB3' ' HD3' ' A' ' 23' ' ' PRO . 87.8 t80 -162.85 -53.15 0.01 OUTLIER Pre-proline 0 CA--C 1.539 0.528 0 N-CA-C 112.101 0.408 . . . . 0.0 112.101 177.101 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 23' ' ' PRO . . . . . 0.582 ' HB2' ' HA3' ' A' ' 27' ' ' GLY . 27.9 Cg_exo -65.07 148.66 89.51 Favored 'Trans proline' 0 C--N 1.354 0.828 0 C-N-CA 122.151 1.901 . . . . 0.0 112.783 -178.1 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -98.83 -109.42 2.93 Favored Glycine 0 CA--C 1.52 0.349 0 CA-C-N 116.178 -0.464 . . . . 0.0 113.266 -173.627 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 13.9 mm-40 -72.83 -43.14 63.04 Favored 'General case' 0 CA--C 1.517 -0.316 0 CA-C-O 120.837 0.351 . . . . 0.0 110.643 -175.975 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 26' ' ' LEU . . . . . 0.442 ' O ' HG13 ' A' ' 30' ' ' ILE . 51.1 tp -63.36 -34.4 77.64 Favored 'General case' 0 C--N 1.323 -0.574 0 N-CA-C 109.264 -0.643 . . . . 0.0 109.264 175.548 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 27' ' ' GLY . . . . . 0.582 ' HA3' ' HB2' ' A' ' 23' ' ' PRO . . . -59.2 -62.14 6.53 Favored Glycine 0 N--CA 1.446 -0.682 0 CA-C-N 115.195 -0.912 . . . . 0.0 112.79 179.012 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 7.0 ptpp? -57.16 -37.06 71.53 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-O 120.56 0.219 . . . . 0.0 111.038 -177.954 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 77.5 ttt180 -59.21 -45.14 91.89 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.895 0.379 . . . . 0.0 110.895 179.715 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 30' ' ' ILE . . . . . 0.442 HG13 ' O ' ' A' ' 26' ' ' LEU . 73.2 mt -72.23 -39.09 63.97 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.42 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.756 -179.286 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 31' ' ' TYR . . . . . . . . . . . . . 20.9 m-85 -63.84 -21.36 66.41 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.608 -0.269 . . . . 0.0 111.663 -179.992 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 32' ' ' ASN . . . . . . . . . . . . . 91.0 m-20 -84.15 -43.37 15.05 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 116.392 -0.367 . . . . 0.0 111.916 -178.882 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 33' ' ' GLU . . . . . 0.535 ' O ' ' HA ' ' A' ' 7' ' ' CYS . 40.0 mt-10 -112.47 -3.48 14.43 Favored 'General case' 0 C--N 1.326 -0.44 0 N-CA-C 112.544 0.572 . . . . 0.0 112.544 -168.356 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 34' ' ' ILE . . . . . 0.44 ' HA ' ' HG ' ' A' ' 7' ' ' CYS . 48.3 mm -120.24 136.58 56.82 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.696 0 CA-C-O 120.992 0.425 . . . . 0.0 110.408 178.379 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 9.3 t -99.28 167.98 10.32 Favored 'General case' 0 N--CA 1.444 -0.751 0 CA-C-N 115.887 -0.597 . . . . 0.0 110.283 -179.583 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 89.2 mttt -59.55 -31.27 69.27 Favored 'General case' 0 C--N 1.325 -0.48 0 CA-C-N 115.255 -0.884 . . . . 0.0 111.967 -176.001 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 36.4 t70 -63.12 -52.57 62.03 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.474 -0.33 . . . . 0.0 110.439 -178.74 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -66.87 -37.79 85.08 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.802 179.484 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 39' ' ' TRP . . . . . . . . . . . . . 76.8 t-105 -59.93 -52.12 66.75 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 115.832 -0.622 . . . . 0.0 110.947 179.026 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -69.73 -35.58 75.13 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-N 115.874 -0.603 . . . . 0.0 110.933 -179.356 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 24.3 tt0 -63.45 -54.37 37.54 Favored 'General case' 0 C--N 1.325 -0.459 0 CA-C-N 115.954 -0.566 . . . . 0.0 110.583 179.619 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 42' ' ' TRP . . . . . . . . . . . . . 33.1 t-105 -63.35 -48.28 78.6 Favored 'General case' 0 C--N 1.331 -0.203 0 CA-C-N 116.289 -0.414 . . . . 0.0 111.534 -175.207 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 43' ' ' GLN . . . . . . . . . . . . . 30.1 mt-30 -62.76 -43.99 97.36 Favored 'General case' 0 C--N 1.329 -0.293 0 C-N-CA 120.577 -0.449 . . . . 0.0 111.388 -177.276 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 44' ' ' HIS . . . . . . . . . . . . . 8.7 t-80 -66.91 -40.28 87.63 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-O 120.847 0.355 . . . . 0.0 110.321 -178.05 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 45' ' ' LYS . . . . . 0.451 ' O ' ' HG ' ' A' ' 49' ' ' LEU . 5.2 tmtm? -65.01 -47.7 76.55 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 115.943 -0.571 . . . . 0.0 109.587 177.759 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 46' ' ' GLN . . . . . . . . . . . . . 59.0 tp60 -61.87 -36.98 82.86 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 115.678 -0.692 . . . . 0.0 111.088 -179.993 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 85.4 m -57.55 -43.17 84.21 Favored 'General case' 0 C--N 1.331 -0.205 0 CA-C-O 120.838 0.351 . . . . 0.0 110.243 176.856 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 48' ' ' MET . . . . . . . . . . . . . 43.5 ttp -67.47 -34.88 78.07 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.05 -0.523 . . . . 0.0 110.656 178.128 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 49' ' ' LEU . . . . . 0.451 ' HG ' ' O ' ' A' ' 45' ' ' LYS . 75.2 mt -64.23 -48.81 74.37 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-O 121.168 0.509 . . . . 0.0 110.102 176.695 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 50' ' ' ILE . . . . . . . . . . . . . 86.0 mt -61.79 -36.92 76.58 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.394 0 CA-C-N 115.568 -0.742 . . . . 0.0 110.54 177.849 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 51' ' ' ASN . . . . . . . . . . . . . 3.4 t-20 -62.98 -44.03 97.17 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 115.77 -0.65 . . . . 0.0 110.842 -178.251 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 24.6 mm-40 -76.3 -40.67 50.97 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.047 -0.524 . . . . 0.0 111.707 -179.227 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 47.4 mttp -72.0 -28.46 63.42 Favored 'General case' 0 C--N 1.323 -0.561 0 CA-C-N 116.41 -0.359 . . . . 0.0 110.887 -179.624 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 96.0 mttt 56.25 43.56 26.33 Favored 'General case' 0 N--CA 1.462 0.162 0 CA-C-N 115.734 -0.666 . . . . 0.0 110.167 -179.765 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 4.2 pp -90.06 162.39 15.36 Favored 'General case' 0 N--CA 1.452 -0.348 0 CA-C-N 115.476 -0.784 . . . . 0.0 110.763 -177.964 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 56' ' ' ASN . . . . . . . . . . . . . 38.1 t-20 -121.13 141.4 50.85 Favored 'General case' 0 C--N 1.323 -0.565 0 N-CA-C 109.869 -0.419 . . . . 0.0 109.869 179.363 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 57' ' ' MET . . . . . . . . . . . . . 0.8 OUTLIER -81.01 8.39 8.59 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.242 -0.435 . . . . 0.0 111.087 178.923 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 58' ' ' MET . . . . . . . . . . . . . 55.9 ttm -58.85 -38.38 78.62 Favored 'General case' 0 C--N 1.326 -0.455 0 CA-C-N 116.314 -0.403 . . . . 0.0 110.956 178.352 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 59' ' ' ASN . . . . . 0.419 ' O ' ' HG3' ' A' ' 63' ' ' ARG . 3.4 m-20 -91.35 142.57 27.55 Favored 'General case' 0 C--N 1.324 -0.508 0 CA-C-N 116.367 -0.379 . . . . 0.0 110.886 -179.48 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -67.81 -25.19 65.45 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.991 -178.554 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 14.2 mt-10 -52.95 -51.41 61.54 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 115.446 -0.797 . . . . 0.0 111.035 177.515 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 62' ' ' HIS . . . . . . . . . . . . . 93.7 m-70 -76.85 -23.06 52.7 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.681 -177.166 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 63' ' ' ARG . . . . . 0.419 ' HG3' ' O ' ' A' ' 59' ' ' ASN . 99.2 mtt180 -66.51 -51.56 55.39 Favored 'General case' 0 C--O 1.232 0.179 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.642 178.788 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 16.2 pttp -68.79 -31.75 70.98 Favored 'General case' 0 C--N 1.332 -0.167 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.363 -178.161 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 58.2 tp -62.43 -45.52 92.7 Favored 'General case' 0 C--N 1.332 -0.183 0 CA-C-N 116.332 -0.395 . . . . 0.0 110.266 178.104 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 66.6 tp -59.25 -46.09 89.43 Favored 'General case' 0 N--CA 1.454 -0.271 0 CA-C-N 115.91 -0.586 . . . . 0.0 110.332 177.801 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 44.0 tt0 -61.31 -50.08 74.43 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 115.971 -0.559 . . . . 0.0 110.816 179.394 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 68' ' ' GLN . . . . . 0.417 ' HB3' HG12 ' A' ' 82' ' ' ILE . 88.0 mt-30 -59.81 -52.45 65.39 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-N 115.883 -0.599 . . . . 0.0 111.803 -179.176 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 19.8 mt-10 -66.23 -29.41 69.65 Favored 'General case' 0 C--N 1.332 -0.16 0 C-N-CA 121.003 -0.279 . . . . 0.0 111.244 -178.895 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 70' ' ' MET . . . . . . . . . . . . . 27.0 ttt -61.27 -51.48 68.75 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-O 120.955 0.407 . . . . 0.0 110.239 177.529 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 71' ' ' VAL . . . . . . . . . . . . . 59.2 t -65.87 -35.55 75.39 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.418 0 CA-C-N 115.897 -0.592 . . . . 0.0 110.581 178.657 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 72' ' ' SER . . . . . 0.481 ' O ' ' HA ' ' A' ' 76' ' ' GLU . 32.3 t -71.68 -17.91 62.21 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-N 116.051 -0.522 . . . . 0.0 111.626 -178.237 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 73' ' ' PHE . . . . . . . . . . . . . 56.1 t80 -99.69 -46.98 5.24 Favored 'General case' 0 C--N 1.324 -0.505 0 C-N-CA 120.804 -0.358 . . . . 0.0 111.235 -179.807 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 74' ' ' LEU . . . . . . . . . . . . . 95.1 mt -72.99 -48.6 35.0 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.407 -0.361 . . . . 0.0 111.307 -177.307 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 75' ' ' PHE . . . . . . . . . . . . . 97.5 m-85 -94.02 -37.44 11.65 Favored 'General case' 0 C--N 1.326 -0.455 0 CA-C-N 116.614 -0.266 . . . . 0.0 110.549 -178.992 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 76' ' ' GLU . . . . . 0.481 ' HA ' ' O ' ' A' ' 72' ' ' SER . 38.8 mt-10 72.28 -48.04 0.67 Allowed 'General case' 0 N--CA 1.47 0.525 0 C-N-CA 123.793 0.837 . . . . 0.0 112.227 177.856 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . -77.55 63.15 3.42 Favored Glycine 0 N--CA 1.45 -0.377 0 C-N-CA 121.398 -0.429 . . . . 0.0 112.849 -177.053 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 78' ' ' LYS . . . . . 0.49 ' HD2' ' O ' ' A' ' 78' ' ' LYS . 0.0 OUTLIER -103.2 158.75 16.1 Favored 'General case' 0 C--N 1.321 -0.64 0 O-C-N 122.692 -0.299 . . . . 0.0 110.256 176.718 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 79' ' ' ASP . . . . . . . . . . . . . 5.7 p-10 -111.45 4.6 19.01 Favored 'General case' 0 C--N 1.323 -0.569 0 N-CA-C 109.346 -0.613 . . . . 0.0 109.346 173.949 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 80' ' ' VAL . . . . . . . . . . . . . 47.9 t -75.05 121.67 27.07 Favored 'Isoleucine or valine' 0 N--CA 1.448 -0.54 0 CA-C-N 115.398 -0.819 . . . . 0.0 109.938 177.819 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 81' ' ' HIS . . . . . . . . . . . . . 27.2 m-70 -80.21 111.4 16.55 Favored 'General case' 0 C--N 1.319 -0.735 0 CA-C-N 116.025 -0.534 . . . . 0.0 110.732 -179.887 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 82' ' ' ILE . . . . . 0.417 HG12 ' HB3' ' A' ' 68' ' ' GLN . 9.7 mt -93.02 84.57 1.93 Allowed 'Isoleucine or valine' 0 C--N 1.32 -0.708 0 N-CA-C 108.838 -0.801 . . . . 0.0 108.838 176.001 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 41.3 mt-10 -140.72 -52.43 0.48 Allowed 'General case' 0 C--N 1.321 -0.652 0 CA-C-N 115.589 -0.732 . . . . 0.0 109.879 -174.996 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 84' ' ' GLY . . . . . . . . . . . . . . . -97.59 137.2 13.17 Favored Glycine 0 N--CA 1.441 -1.02 0 C-N-CA 120.564 -0.827 . . . . 0.0 112.453 -178.679 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 85' ' ' TYR . . . . . . . . . . . . . 46.3 p90 -96.87 -4.7 39.73 Favored 'General case' 0 C--N 1.322 -0.595 0 CA-C-O 121.158 0.504 . . . . 0.0 109.737 174.439 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 86' ' ' THR . . . . . 0.407 ' HA ' ' HD3' ' A' ' 87' ' ' PRO . 89.9 m -79.64 119.88 78.3 Favored Pre-proline 0 C--N 1.327 -0.398 0 CA-C-N 115.466 -0.788 . . . . 0.0 110.13 176.067 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 87' ' ' PRO . . . . . 0.407 ' HD3' ' HA ' ' A' ' 86' ' ' THR . 13.3 Cg_exo -69.29 99.27 0.69 Allowed 'Trans proline' 0 C--O 1.237 0.454 0 C-N-CA 122.646 2.231 . . . . 0.0 112.529 -179.528 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 88' ' ' GLU . . . . . . . . . . . . . 10.4 tp10 -90.23 81.9 6.06 Favored 'General case' 0 C--N 1.323 -0.584 0 N-CA-C 108.814 -0.81 . . . . 0.0 108.814 174.212 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 89' ' ' ASP . . . . . . . . . . . . . 3.0 t70 -103.56 149.96 24.39 Favored 'General case' 0 C--N 1.322 -0.618 0 CA-C-N 115.922 -0.581 . . . . 0.0 110.19 -174.165 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 90' ' ' LYS . . . . . 0.49 ' HD2' ' N ' ' A' ' 90' ' ' LYS . 10.8 mptt -110.44 -63.36 1.4 Allowed 'General case' 0 C--N 1.325 -0.485 0 CA-C-O 121.09 0.472 . . . . 0.0 110.994 -173.721 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 91' ' ' LYS . . . . . . . . . . . . . 50.7 mtmt . . . . . 0 C--O 1.25 1.116 0 CA-C-O 118.495 -0.764 . . . . 0.0 110.166 -177.448 . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 95.3 mmm . . . . . 0 N--CA 1.48 1.033 0 CA-C-O 120.797 0.332 . . . . 0.0 110.578 . . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 14.5 m -79.16 132.65 36.61 Favored 'General case' 0 N--CA 1.449 -0.477 0 N-CA-C 110.128 -0.323 . . . . 0.0 110.128 179.671 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 3' ' ' ARG . . . . . . . . . . . . . 8.5 tpm_? -81.94 92.16 6.7 Favored 'General case' 0 C--N 1.324 -0.534 0 N-CA-C 109.169 -0.678 . . . . 0.0 109.169 178.378 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 49.9 p -105.81 151.1 24.92 Favored 'General case' 0 C--N 1.321 -0.632 0 CA-C-N 115.783 -0.644 . . . . 0.0 110.944 -178.71 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 5' ' ' ILE . . . . . 0.418 HG13 ' CA ' ' A' ' 16' ' ' GLY . 2.5 pp -138.54 172.87 13.21 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.543 0 CA-C-N 115.715 -0.675 . . . . 0.0 110.288 -179.782 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 6' ' ' PHE . . . . . . . . . . . . . 96.2 m-85 -91.52 98.73 11.85 Favored 'General case' 0 C--N 1.322 -0.587 0 CA-C-O 121.124 0.488 . . . . 0.0 109.714 175.735 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 53.8 t -71.57 137.46 48.05 Favored 'General case' 0 C--N 1.324 -0.511 0 CA-C-N 115.678 -0.692 . . . . 0.0 110.437 -177.509 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 1.8 p -64.63 -46.24 83.42 Favored 'General case' 0 C--N 1.323 -0.547 0 CA-C-N 116.338 -0.392 . . . . 0.0 111.329 179.96 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 9' ' ' TYR . . . . . . . . . . . . . 74.1 t80 -70.53 -31.57 68.7 Favored 'General case' 0 C--N 1.325 -0.467 0 CA-C-N 115.781 -0.645 . . . . 0.0 111.754 -176.158 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 85.4 mt -96.87 -23.34 16.4 Favored 'General case' 0 C--N 1.326 -0.419 0 C-N-CA 120.942 -0.303 . . . . 0.0 111.475 -176.656 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 29.4 mm-40 62.52 21.24 12.5 Favored 'General case' 0 N--CA 1.47 0.567 0 C-N-CA 122.865 0.466 . . . . 0.0 111.383 -179.467 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 94.2 mtt180 -135.57 169.69 17.13 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 116.06 -0.518 . . . . 0.0 111.008 -177.051 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 13' ' ' ASP . . . . . 0.4 ' HA ' ' O ' ' A' ' 5' ' ' ILE . 23.3 t70 -80.74 106.46 12.76 Favored 'General case' 0 C--N 1.323 -0.544 0 CA-C-N 115.364 -0.834 . . . . 0.0 109.645 174.961 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -134.63 179.35 6.35 Favored 'General case' 0 C--N 1.323 -0.553 0 CA-C-N 115.805 -0.634 . . . . 0.0 110.373 -175.611 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 15' ' ' GLU . . . . . 0.568 ' O ' ' HA ' ' A' ' 35' ' ' SER . 8.0 mm-40 -52.37 128.02 24.12 Favored 'General case' 0 C--N 1.331 -0.212 0 O-C-N 123.226 0.329 . . . . 0.0 111.06 179.729 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 16' ' ' GLY . . . . . 0.418 ' CA ' HG13 ' A' ' 5' ' ' ILE . . . -93.17 46.67 2.42 Favored Glycine 0 N--CA 1.443 -0.898 0 C-N-CA 120.854 -0.689 . . . . 0.0 111.971 -179.885 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 17' ' ' GLN . . . . . 0.53 HE21 ' CA ' ' A' ' 17' ' ' GLN . 0.0 OUTLIER 57.87 -152.75 0.39 Allowed 'General case' 0 N--CA 1.454 -0.273 0 O-C-N 124.037 0.493 . . . . 0.0 111.096 -179.822 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 18' ' ' ASP . . . . . 0.408 ' H ' ' HB3' ' A' ' 17' ' ' GLN . 4.8 m-20 -113.1 -167.9 1.25 Allowed 'General case' 0 C--N 1.323 -0.55 0 N-CA-C 109.504 -0.554 . . . . 0.0 109.504 178.563 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 96.2 m-85 -94.07 -176.14 3.91 Favored 'General case' 0 C--N 1.322 -0.624 0 CA-C-O 120.588 0.233 . . . . 0.0 110.682 -179.19 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 20' ' ' GLN . . . . . 0.5 ' HG3' ' O ' ' A' ' 23' ' ' PRO . 8.3 mp0 -61.41 96.34 0.06 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 121.152 0.501 . . . . 0.0 110.788 177.834 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -111.27 -3.22 15.42 Favored 'General case' 0 C--N 1.321 -0.642 0 CA-C-N 115.596 -0.729 . . . . 0.0 110.8 177.732 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 22' ' ' TYR . . . . . 0.516 ' HB3' ' HD3' ' A' ' 23' ' ' PRO . 91.9 t80 -174.04 -53.7 0.0 OUTLIER Pre-proline 0 CA--C 1.538 0.497 0 CA-C-N 115.611 -0.722 . . . . 0.0 110.802 179.408 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 23' ' ' PRO . . . . . 0.516 ' HD3' ' HB3' ' A' ' 22' ' ' TYR . 94.7 Cg_endo -86.0 145.64 8.77 Favored 'Trans proline' 0 C--N 1.354 0.834 0 C-N-CA 121.429 1.419 . . . . 0.0 112.094 178.539 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -103.44 -98.29 2.47 Favored Glycine 0 N--CA 1.446 -0.693 0 C-N-CA 120.95 -0.643 . . . . 0.0 112.498 -177.144 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 11.8 pt-20 -70.81 -39.32 73.13 Favored 'General case' 0 C--N 1.328 -0.359 0 N-CA-C 111.72 0.267 . . . . 0.0 111.72 -174.721 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 58.3 tp -69.6 -39.1 77.44 Favored 'General case' 0 C--N 1.326 -0.437 0 N-CA-C 109.361 -0.607 . . . . 0.0 109.361 178.236 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . -59.26 -54.3 39.04 Favored Glycine 0 N--CA 1.444 -0.771 0 CA-C-N 115.25 -0.886 . . . . 0.0 112.157 178.443 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 28' ' ' LYS . . . . . 0.475 ' HB3' HE22 ' A' ' 20' ' ' GLN . 18.3 ptpt -63.32 -34.35 77.5 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.748 0.274 . . . . 0.0 111.367 -176.532 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 79.8 ttt180 -61.29 -39.14 89.33 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.832 0.349 . . . . 0.0 110.392 -179.925 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 30' ' ' ILE . . . . . . . . . . . . . 57.9 mt -83.3 -45.5 18.76 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.522 0 CA-C-N 116.369 -0.378 . . . . 0.0 111.334 -179.226 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 31' ' ' TYR . . . . . . . . . . . . . 5.1 m-30 -56.83 -35.49 68.88 Favored 'General case' 0 N--CA 1.467 0.397 0 N-CA-C 112.525 0.565 . . . . 0.0 112.525 -175.5 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 32' ' ' ASN . . . . . . . . . . . . . 23.4 m-80 -71.89 -3.7 23.94 Favored 'General case' 0 C--N 1.329 -0.301 0 N-CA-C 112.181 0.437 . . . . 0.0 112.181 -176.755 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 38.7 mt-10 -139.45 11.3 2.53 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-O 120.662 0.268 . . . . 0.0 110.891 179.075 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 34' ' ' ILE . . . . . . . . . . . . . 13.5 mm -135.61 124.06 38.53 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.418 0 CA-C-O 121.203 0.525 . . . . 0.0 111.087 -178.556 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 35' ' ' SER . . . . . 0.568 ' HA ' ' O ' ' A' ' 15' ' ' GLU . 13.7 m -79.63 163.98 24.16 Favored 'General case' 0 C--N 1.322 -0.607 0 CA-C-N 115.592 -0.731 . . . . 0.0 110.803 178.113 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 87.9 mttt -59.95 -34.2 72.94 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.002 -0.545 . . . . 0.0 110.812 -177.066 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 35.3 m-20 -64.67 -47.09 79.71 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 115.947 -0.57 . . . . 0.0 110.745 -178.676 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -67.38 -39.72 85.66 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.046 -0.525 . . . . 0.0 110.806 -178.165 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 39' ' ' TRP . . . . . . . . . . . . . 59.4 t-105 -64.0 -50.59 67.93 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.062 -0.517 . . . . 0.0 110.654 178.892 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -64.02 -37.72 88.47 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 115.994 -0.548 . . . . 0.0 111.027 -178.011 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 24.7 tm0? -65.8 -49.75 67.15 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 115.899 -0.592 . . . . 0.0 110.873 -179.297 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 42' ' ' TRP . . . . . 0.466 ' NE1' ' HA ' ' A' ' 70' ' ' MET . 70.1 t-105 -67.48 -37.54 83.03 Favored 'General case' 0 C--N 1.329 -0.297 0 C-N-CA 120.65 -0.42 . . . . 0.0 111.123 -176.134 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 43' ' ' GLN . . . . . . . . . . . . . 51.8 mt-30 -64.32 -39.27 93.57 Favored 'General case' 0 C--N 1.328 -0.34 0 C-N-CA 120.567 -0.453 . . . . 0.0 110.605 176.381 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 44' ' ' HIS . . . . . . . . . . . . . 46.8 t-80 -63.08 -43.85 97.39 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 121.247 0.546 . . . . 0.0 109.539 177.181 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 17.1 tppt? -59.02 -54.72 43.89 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-N 115.318 -0.856 . . . . 0.0 110.809 177.009 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 46' ' ' GLN . . . . . 0.512 ' O ' HG13 ' A' ' 50' ' ' ILE . 54.1 tp60 -59.4 -39.77 84.47 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.009 -0.542 . . . . 0.0 111.143 -176.317 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 70.3 m -57.75 -42.42 83.9 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-O 120.845 0.355 . . . . 0.0 110.479 178.465 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 48' ' ' MET . . . . . . . . . . . . . 17.5 tmm? -63.55 -44.22 94.77 Favored 'General case' 0 C--N 1.332 -0.194 0 N-CA-C 109.877 -0.416 . . . . 0.0 109.877 177.37 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 9.9 mp -57.95 -43.14 86.23 Favored 'General case' 0 C--N 1.331 -0.239 0 CA-C-N 116.047 -0.524 . . . . 0.0 111.038 178.854 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 50' ' ' ILE . . . . . 0.512 HG13 ' O ' ' A' ' 46' ' ' GLN . 76.5 mt -59.12 -42.82 87.8 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.407 -0.36 . . . . 0.0 111.528 -179.096 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 51' ' ' ASN . . . . . . . . . . . . . 45.9 m-80 -73.17 -35.59 66.45 Favored 'General case' 0 N--CA 1.466 0.369 0 CA-C-O 120.824 0.345 . . . . 0.0 111.462 -178.376 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 7.1 mm-40 -77.78 -38.81 45.91 Favored 'General case' 0 C--N 1.321 -0.665 0 CA-C-O 120.946 0.403 . . . . 0.0 111.517 -177.858 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 67.6 mttm -80.07 -17.61 52.23 Favored 'General case' 0 C--N 1.321 -0.669 0 CA-C-N 116.266 -0.425 . . . . 0.0 110.633 178.702 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 96.5 mttt 57.65 59.93 3.03 Favored 'General case' 0 C--O 1.236 0.365 0 CA-C-N 115.627 -0.715 . . . . 0.0 110.769 -179.684 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 4.3 pp -115.15 139.03 50.25 Favored 'General case' 0 C--N 1.323 -0.574 0 CA-C-N 115.887 -0.597 . . . . 0.0 110.765 -178.98 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 56' ' ' ASN . . . . . . . . . . . . . 12.0 t30 -116.44 147.06 42.06 Favored 'General case' 0 C--N 1.321 -0.656 0 N-CA-C 109.421 -0.585 . . . . 0.0 109.421 176.757 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 57' ' ' MET . . . . . . . . . . . . . 24.3 mmt -77.66 73.28 4.23 Favored 'General case' 0 C--N 1.326 -0.455 0 CA-C-O 121.533 0.683 . . . . 0.0 110.951 -177.839 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 58' ' ' MET . . . . . . . . . . . . . 24.4 ptt? -130.03 -21.92 2.93 Favored 'General case' 0 C--N 1.321 -0.632 0 CA-C-N 115.211 -0.904 . . . . 0.0 110.006 176.866 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 59' ' ' ASN . . . . . . . . . . . . . 49.5 t-20 -118.44 129.0 55.14 Favored 'General case' 0 C--O 1.237 0.416 0 CA-C-N 115.646 -0.706 . . . . 0.0 109.166 178.606 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -61.85 -20.08 63.29 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.068 -0.514 . . . . 0.0 111.834 -177.421 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 61' ' ' GLU . . . . . 0.493 ' O ' ' HG2' ' A' ' 64' ' ' LYS . 22.0 mm-40 -55.23 -39.95 70.31 Favored 'General case' 0 C--N 1.332 -0.175 0 CA-C-O 120.874 0.369 . . . . 0.0 111.49 178.003 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 62' ' ' HIS . . . . . . . . . . . . . 98.4 m-70 -86.64 -20.22 28.16 Favored 'General case' 0 C--N 1.323 -0.555 0 C-N-CA 120.699 -0.4 . . . . 0.0 110.593 -177.83 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 63' ' ' ARG . . . . . . . . . . . . . 6.9 tpp180 -73.4 -42.74 61.75 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-N 116.097 -0.502 . . . . 0.0 109.821 174.507 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 64' ' ' LYS . . . . . 0.506 ' O ' ' HG3' ' A' ' 68' ' ' GLN . 54.7 pttt -65.92 -40.05 91.08 Favored 'General case' 0 C--O 1.225 -0.186 0 CA-C-N 116.44 -0.346 . . . . 0.0 110.235 179.383 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 1.3 mm? -60.58 -49.34 77.94 Favored 'General case' 0 C--O 1.233 0.215 0 CA-C-O 120.62 0.248 . . . . 0.0 110.763 177.52 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 7.7 tt -56.26 -44.08 79.37 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 115.998 -0.546 . . . . 0.0 110.463 177.878 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 33.1 tt0 -63.95 -46.65 83.76 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.741 -179.228 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 68' ' ' GLN . . . . . 0.506 ' HG3' ' O ' ' A' ' 64' ' ' LYS . 55.2 mt-30 -56.05 -51.94 66.04 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.033 -0.53 . . . . 0.0 111.251 179.75 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 41.6 mt-10 -68.47 -40.91 80.84 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 116.365 -0.38 . . . . 0.0 111.192 -177.507 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 70' ' ' MET . . . . . 0.466 ' HA ' ' NE1' ' A' ' 42' ' ' TRP . 52.9 ttm -61.88 -51.17 69.26 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.521 -0.309 . . . . 0.0 111.224 -179.381 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 71' ' ' VAL . . . . . . . . . . . . . 69.8 t -64.19 -34.79 71.16 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.396 0 CA-C-N 116.444 -0.344 . . . . 0.0 110.726 -179.665 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 8.3 t -67.96 -36.34 79.9 Favored 'General case' 0 C--N 1.324 -0.501 0 CA-C-O 120.589 0.233 . . . . 0.0 111.245 -178.027 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 73' ' ' PHE . . . . . . . . . . . . . 75.8 t80 -84.84 -56.88 3.35 Favored 'General case' 0 C--N 1.327 -0.37 0 C-N-CA 121.099 -0.24 . . . . 0.0 111.344 -177.428 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 74' ' ' LEU . . . . . . . . . . . . . 92.7 mt -71.44 -54.71 9.75 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-O 120.989 0.423 . . . . 0.0 111.572 -174.518 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 75' ' ' PHE . . . . . . . . . . . . . 78.0 t80 -78.34 -42.62 30.05 Favored 'General case' 0 C--N 1.321 -0.665 0 CA-C-N 116.277 -0.419 . . . . 0.0 110.382 -177.098 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 9.4 tp10 62.49 92.37 0.06 Allowed 'General case' 0 C--O 1.234 0.248 0 O-C-N 124.001 0.813 . . . . 0.0 110.846 -178.93 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . 141.33 51.22 0.04 OUTLIER Glycine 0 N--CA 1.445 -0.747 0 CA-C-N 115.505 -0.77 . . . . 0.0 112.281 -179.98 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 78' ' ' LYS . . . . . 0.594 ' HD2' ' O ' ' A' ' 78' ' ' LYS . 0.0 OUTLIER -92.23 145.94 24.1 Favored 'General case' 0 C--N 1.324 -0.502 0 CA-C-O 120.98 0.419 . . . . 0.0 110.736 177.967 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 79' ' ' ASP . . . . . . . . . . . . . 2.8 m-20 -95.33 -8.89 34.49 Favored 'General case' 0 C--N 1.322 -0.603 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.692 177.422 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 80' ' ' VAL . . . . . . . . . . . . . 20.1 t -79.02 122.09 33.53 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 CA-C-N 116.03 -0.532 . . . . 0.0 110.528 -178.558 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 81' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER -75.69 129.82 37.72 Favored 'General case' 0 C--N 1.322 -0.592 0 CA-C-N 115.831 -0.622 . . . . 0.0 110.287 179.038 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 82' ' ' ILE . . . . . . . . . . . . . 17.5 mt -104.4 86.25 0.96 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.532 0 CA-C-O 120.973 0.416 . . . . 0.0 111.166 -177.463 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 1.4 mp0 -113.22 -13.61 12.95 Favored 'General case' 0 C--N 1.323 -0.58 0 CA-C-N 115.905 -0.588 . . . . 0.0 109.511 170.731 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 84' ' ' GLY . . . . . . . . . . . . . . . 86.84 -143.91 19.26 Favored Glycine 0 N--CA 1.444 -0.802 0 N-CA-C 111.095 -0.802 . . . . 0.0 111.095 -175.573 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 85' ' ' TYR . . . . . . . . . . . . . 90.3 m-85 60.03 -171.83 0.13 Allowed 'General case' 0 C--O 1.235 0.329 0 CA-C-O 121.669 0.747 . . . . 0.0 111.358 177.75 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 86' ' ' THR . . . . . . . . . . . . . 9.0 p -119.22 92.36 45.41 Favored Pre-proline 0 C--N 1.32 -0.693 0 CA-C-N 115.378 -0.828 . . . . 0.0 109.243 167.444 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 87' ' ' PRO . . . . . . . . . . . . . 3.1 Cg_exo -83.12 -59.68 0.02 OUTLIER 'Trans proline' 0 N--CA 1.458 -0.589 0 C-N-CA 122.808 2.339 . . . . 0.0 111.997 179.723 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 88' ' ' GLU . . . . . . . . . . . . . 10.0 tp10 -156.39 140.09 16.06 Favored 'General case' 0 N--CA 1.448 -0.568 0 N-CA-C 108.914 -0.773 . . . . 0.0 108.914 -179.042 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 89' ' ' ASP . . . . . . . . . . . . . 3.4 p-10 -101.11 -13.29 18.24 Favored 'General case' 0 C--N 1.325 -0.461 0 CA-C-O 121.129 0.49 . . . . 0.0 110.241 -179.525 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 16.0 tppt? -99.65 113.5 25.99 Favored 'General case' 0 C--N 1.324 -0.503 0 CA-C-N 115.717 -0.674 . . . . 0.0 110.875 -179.6 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 91' ' ' LYS . . . . . . . . . . . . . 20.9 pttp . . . . . 0 C--O 1.244 0.773 0 CA-C-O 118.252 -0.88 . . . . 0.0 109.752 175.398 . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 25.5 ptm . . . . . 0 N--CA 1.482 1.156 0 CA-C-O 120.666 0.269 . . . . 0.0 111.114 . . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 52.3 m -74.01 104.48 4.87 Favored 'General case' 0 N--CA 1.453 -0.308 0 CA-C-O 120.827 0.346 . . . . 0.0 110.078 176.227 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 3' ' ' ARG . . . . . . . . . . . . . 14.0 tpp180 -118.77 92.45 3.81 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-O 121.175 0.512 . . . . 0.0 110.131 179.039 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 5.8 p -90.24 110.72 21.76 Favored 'General case' 0 C--N 1.32 -0.709 0 CA-C-N 115.597 -0.728 . . . . 0.0 110.995 -178.042 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 5' ' ' ILE . . . . . . . . . . . . . 27.6 pt -105.18 156.63 6.17 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.528 0 CA-C-N 116.019 -0.537 . . . . 0.0 110.154 178.136 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 6' ' ' PHE . . . . . . . . . . . . . 63.6 m-85 -109.03 93.7 4.65 Favored 'General case' 0 C--N 1.32 -0.703 0 N-CA-C 108.879 -0.785 . . . . 0.0 108.879 174.747 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 7' ' ' CYS . . . . . 0.526 ' HA ' ' O ' ' A' ' 33' ' ' GLU . 37.1 m -57.45 137.78 55.81 Favored 'General case' 0 C--N 1.325 -0.487 0 CA-C-N 115.699 -0.682 . . . . 0.0 110.818 -176.835 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 1.7 p -65.07 -40.66 95.0 Favored 'General case' 0 C--N 1.319 -0.723 0 CA-C-O 120.789 0.328 . . . . 0.0 111.063 -179.738 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 9' ' ' TYR . . . . . . . . . . . . . 45.3 t80 -71.98 -37.95 69.78 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 115.984 -0.553 . . . . 0.0 111.686 -178.722 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 10' ' ' LEU . . . . . 0.401 ' O ' ' HG3' ' A' ' 12' ' ' ARG . 93.2 mt -92.36 -33.75 14.46 Favored 'General case' 0 C--N 1.326 -0.437 0 C-N-CA 121.087 -0.245 . . . . 0.0 111.628 -174.902 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 80.9 mm-40 59.95 33.42 21.45 Favored 'General case' 0 N--CA 1.464 0.237 0 CA-C-O 121.476 0.655 . . . . 0.0 110.789 -177.056 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 12' ' ' ARG . . . . . 0.401 ' HG3' ' O ' ' A' ' 10' ' ' LEU . 43.7 mtt180 -135.55 173.45 11.7 Favored 'General case' 0 C--N 1.326 -0.434 0 N-CA-C 108.515 -0.92 . . . . 0.0 108.515 179.38 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 3.9 p-10 -82.38 129.26 34.84 Favored 'General case' 0 C--N 1.321 -0.643 0 CA-C-O 121.639 0.733 . . . . 0.0 110.238 179.366 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -140.23 179.73 6.47 Favored 'General case' 0 C--N 1.316 -0.86 0 CA-C-N 115.083 -0.962 . . . . 0.0 109.151 178.629 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 32.6 tt0 -98.24 128.0 44.47 Favored 'General case' 0 C--N 1.318 -0.77 0 N-CA-C 109.749 -0.463 . . . . 0.0 109.749 179.427 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . -61.8 145.69 48.98 Favored Glycine 0 N--CA 1.446 -0.676 0 C-N-CA 120.813 -0.708 . . . . 0.0 111.742 178.312 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 17' ' ' GLN . . . . . 0.446 ' HB3' ' HB3' ' A' ' 31' ' ' TYR . 14.1 tm0? -63.48 124.1 20.47 Favored 'General case' 0 C--N 1.321 -0.64 0 N-CA-C 109.419 -0.586 . . . . 0.0 109.419 -179.352 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 7.7 p-10 -83.09 116.83 22.48 Favored 'General case' 0 C--N 1.323 -0.556 0 CA-C-N 115.662 -0.699 . . . . 0.0 112.001 -172.92 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 86.3 m-85 70.19 115.83 0.04 OUTLIER 'General case' 0 N--CA 1.465 0.284 0 CA-C-N 114.638 -1.164 . . . . 0.0 112.651 173.566 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 53.0 mt-30 -56.59 112.56 1.31 Allowed 'General case' 0 N--CA 1.453 -0.282 0 CA-C-N 115.327 -0.851 . . . . 0.0 109.898 174.871 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 21' ' ' LEU . . . . . 0.533 ' H ' HD13 ' A' ' 21' ' ' LEU . 0.7 OUTLIER -74.1 -37.87 64.03 Favored 'General case' 0 C--N 1.321 -0.669 0 CA-C-N 115.846 -0.615 . . . . 0.0 110.803 -172.307 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 22' ' ' TYR . . . . . 0.485 ' HB3' ' HD3' ' A' ' 23' ' ' PRO . 70.2 t80 -160.88 -49.0 0.01 OUTLIER Pre-proline 0 C--N 1.325 -0.485 0 CA-C-N 116.103 -0.499 . . . . 0.0 111.52 -178.543 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 23' ' ' PRO . . . . . 0.485 ' HD3' ' HB3' ' A' ' 22' ' ' TYR . 21.4 Cg_exo -66.02 134.96 38.9 Favored 'Trans proline' 0 C--N 1.357 0.984 0 C-N-CA 121.571 1.514 . . . . 0.0 111.898 179.556 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -93.59 -95.22 1.52 Allowed Glycine 0 N--CA 1.448 -0.544 0 C-N-CA 120.899 -0.667 . . . . 0.0 112.351 -175.486 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 34.9 tt0 -57.65 -51.92 67.54 Favored 'General case' 0 C--N 1.323 -0.561 0 CA-C-O 120.899 0.381 . . . . 0.0 110.696 -178.215 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 54.6 tp -62.67 -36.97 84.62 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-N 115.854 -0.612 . . . . 0.0 110.264 178.243 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 27' ' ' GLY . . . . . 0.432 ' CA ' ' HB2' ' A' ' 23' ' ' PRO . . . -57.93 -64.29 4.48 Favored Glycine 0 N--CA 1.448 -0.52 0 CA-C-N 115.358 -0.837 . . . . 0.0 112.687 -177.537 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 61.5 pttt -66.64 -27.53 67.76 Favored 'General case' 0 C--N 1.327 -0.406 0 C-N-CA 121.051 -0.26 . . . . 0.0 111.079 -175.21 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 70.8 ttt180 -59.79 -36.99 77.85 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-O 120.941 0.401 . . . . 0.0 110.41 177.933 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 30' ' ' ILE . . . . . . . . . . . . . 62.8 mt -91.62 -47.97 14.0 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.378 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.154 179.727 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 31' ' ' TYR . . . . . 0.446 ' HB3' ' HB3' ' A' ' 17' ' ' GLN . 18.7 m-85 -63.44 -18.32 63.63 Favored 'General case' 0 N--CA 1.466 0.348 0 N-CA-C 113.19 0.811 . . . . 0.0 113.19 -172.567 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 32' ' ' ASN . . . . . . . . . . . . . 1.4 p30 -87.84 -11.43 47.89 Favored 'General case' 0 C--N 1.33 -0.282 0 C-N-CA 120.388 -0.525 . . . . 0.0 110.748 -179.548 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 33' ' ' GLU . . . . . 0.526 ' O ' ' HA ' ' A' ' 7' ' ' CYS . 43.6 mt-10 -130.27 10.5 5.33 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-O 120.909 0.385 . . . . 0.0 111.061 -178.749 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 34' ' ' ILE . . . . . 0.472 HD12 ' O ' ' A' ' 74' ' ' LEU . 6.5 mm -134.92 126.82 47.7 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-O 121.056 0.455 . . . . 0.0 110.466 178.755 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 35' ' ' SER . . . . . 0.442 ' HB2' ' SG ' ' A' ' 7' ' ' CYS . 32.9 t -70.19 155.67 40.31 Favored 'General case' 0 C--N 1.323 -0.555 0 CA-C-N 115.496 -0.774 . . . . 0.0 110.43 178.535 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 63.3 mttt -60.0 -34.32 73.18 Favored 'General case' 0 C--N 1.325 -0.471 0 CA-C-N 115.609 -0.723 . . . . 0.0 110.692 -178.31 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 4.7 p-10 -72.63 -39.84 66.91 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.613 -178.669 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -65.56 -40.11 92.44 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-O 121.002 0.429 . . . . 0.0 110.299 178.89 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 39' ' ' TRP . . . . . 0.439 ' O ' ' HG3' ' A' ' 43' ' ' GLN . 70.6 t-105 -61.93 -47.27 85.68 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 115.628 -0.715 . . . . 0.0 110.162 176.275 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -63.72 -42.3 97.95 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 115.885 -0.598 . . . . 0.0 111.655 -178.394 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 26.9 mm-40 -58.92 -41.42 87.26 Favored 'General case' 0 C--O 1.235 0.337 0 CA-C-N 116.231 -0.44 . . . . 0.0 111.284 179.759 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 42' ' ' TRP . . . . . . . . . . . . . 35.3 t-105 -67.4 -42.94 82.48 Favored 'General case' 0 C--N 1.328 -0.329 0 C-N-CA 120.742 -0.383 . . . . 0.0 110.969 179.353 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 43' ' ' GLN . . . . . 0.439 ' HG3' ' O ' ' A' ' 39' ' ' TRP . 37.4 mt-30 -59.37 -36.43 75.74 Favored 'General case' 0 C--N 1.331 -0.211 0 CA-C-O 120.819 0.342 . . . . 0.0 110.775 179.185 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 44' ' ' HIS . . . . . . . . . . . . . 23.3 t-80 -58.92 -51.15 71.25 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 115.863 -0.608 . . . . 0.0 110.404 177.921 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 18.1 tppt? -69.85 -38.19 76.39 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 115.964 -0.562 . . . . 0.0 111.12 -179.002 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 46' ' ' GLN . . . . . 0.441 ' O ' HG13 ' A' ' 50' ' ' ILE . 23.7 tp60 -61.85 -41.09 97.41 Favored 'General case' 0 C--N 1.325 -0.5 0 CA-C-O 120.792 0.33 . . . . 0.0 110.771 -179.625 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 33.4 m -68.18 -38.01 81.58 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.313 177.755 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 48' ' ' MET . . . . . . . . . . . . . 27.7 ttt -61.08 -41.22 96.24 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 116.089 -0.505 . . . . 0.0 110.064 176.333 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 4.9 mp -56.83 -40.35 75.89 Favored 'General case' 0 N--CA 1.462 0.174 0 CA-C-N 115.944 -0.571 . . . . 0.0 111.109 175.333 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 50' ' ' ILE . . . . . 0.441 HG13 ' O ' ' A' ' 46' ' ' GLN . 68.1 mt -67.23 -38.01 80.2 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.521 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.706 179.779 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 51' ' ' ASN . . . . . . . . . . . . . 92.8 m-20 -73.96 -40.68 62.85 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-N 116.13 -0.486 . . . . 0.0 111.266 -178.92 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 49.5 mt-10 -78.9 -52.6 8.06 Favored 'General case' 0 C--N 1.327 -0.398 0 N-CA-C 111.963 0.357 . . . . 0.0 111.963 -177.743 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 48.2 mttm -96.17 -14.06 23.06 Favored 'General case' 0 C--N 1.325 -0.494 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.64 -169.552 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 34.7 mmtp 54.05 52.13 13.35 Favored 'General case' 0 C--O 1.234 0.278 0 CA-C-O 121.24 0.543 . . . . 0.0 111.1 -179.163 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 55' ' ' LEU . . . . . 0.417 ' HB3' ' HD1' ' A' ' 62' ' ' HIS . 0.3 OUTLIER -87.56 77.67 8.71 Favored 'General case' 0 C--N 1.324 -0.541 0 CA-C-O 121.467 0.651 . . . . 0.0 110.962 178.67 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 56' ' ' ASN . . . . . . . . . . . . . 18.5 m120 -65.25 135.7 55.71 Favored 'General case' 0 C--N 1.324 -0.501 0 CA-C-N 115.404 -0.816 . . . . 0.0 109.933 177.099 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 57' ' ' MET . . . . . 0.498 ' SD ' ' HA ' ' A' ' 63' ' ' ARG . 21.2 mmt -78.78 6.43 9.02 Favored 'General case' 0 C--N 1.324 -0.512 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.204 -173.495 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 58' ' ' MET . . . . . . . . . . . . . 26.0 ptt? -64.74 -21.58 66.79 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-O 121.083 0.468 . . . . 0.0 109.98 174.639 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 59' ' ' ASN . . . . . . . . . . . . . 16.0 m120 -107.17 126.82 52.89 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-N 115.787 -0.642 . . . . 0.0 109.836 176.658 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -61.64 -24.76 66.93 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-O 120.834 0.349 . . . . 0.0 111.528 -176.271 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 24.1 mt-10 -64.35 -48.14 76.69 Favored 'General case' 0 C--N 1.322 -0.614 0 CA-C-O 121.419 0.628 . . . . 0.0 110.488 176.945 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 62' ' ' HIS . . . . . 0.43 ' O ' ' HB2' ' A' ' 65' ' ' LEU . 50.8 m-70 -76.99 -26.67 54.16 Favored 'General case' 0 C--N 1.321 -0.656 0 CA-C-O 121.176 0.512 . . . . 0.0 109.645 -179.591 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 63' ' ' ARG . . . . . 0.502 ' HD3' ' O ' ' A' ' 63' ' ' ARG . 1.9 tmt_? -72.66 -37.74 67.85 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 115.86 -0.609 . . . . 0.0 110.47 179.473 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 6.1 ptpp? -69.73 -27.73 65.21 Favored 'General case' 0 C--O 1.221 -0.423 0 C-N-CA 120.292 -0.563 . . . . 0.0 110.09 177.405 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 65' ' ' LEU . . . . . 0.43 ' HB2' ' O ' ' A' ' 62' ' ' HIS . 62.7 mt -56.0 -51.87 66.21 Favored 'General case' 0 C--O 1.234 0.273 0 CA-C-O 120.803 0.335 . . . . 0.0 110.205 171.921 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 32.6 tp -49.95 -49.2 51.02 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 115.393 -0.822 . . . . 0.0 111.188 174.133 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 8.1 tp10 -64.91 -55.82 16.99 Favored 'General case' 0 C--N 1.324 -0.513 0 CA-C-N 115.817 -0.628 . . . . 0.0 111.619 -176.46 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 68' ' ' GLN . . . . . 0.44 ' NE2' HG12 ' A' ' 82' ' ' ILE . 53.2 mt-30 -62.64 -53.28 56.99 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-N 115.893 -0.594 . . . . 0.0 111.736 -174.139 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 18.3 mt-10 -67.91 -28.25 67.33 Favored 'General case' 0 C--N 1.329 -0.297 0 C-N-CA 120.837 -0.345 . . . . 0.0 111.651 -174.982 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 70' ' ' MET . . . . . . . . . . . . . 18.3 tmm? -60.27 -53.23 60.14 Favored 'General case' 0 C--O 1.234 0.243 0 N-CA-C 110.131 -0.322 . . . . 0.0 110.131 176.077 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 71' ' ' VAL . . . . . . . . . . . . . 43.7 t -63.34 -33.76 63.14 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.425 179.696 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 26.9 m -70.17 -36.86 74.98 Favored 'General case' 0 C--N 1.324 -0.532 0 CA-C-N 115.732 -0.667 . . . . 0.0 111.823 -176.18 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 73' ' ' PHE . . . . . . . . . . . . . 80.2 t80 -85.3 -40.47 16.53 Favored 'General case' 0 C--N 1.325 -0.469 0 CA-C-O 120.686 0.279 . . . . 0.0 111.341 -177.04 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 74' ' ' LEU . . . . . 0.472 ' O ' HD12 ' A' ' 34' ' ' ILE . 93.6 mt -85.89 -46.55 10.49 Favored 'General case' 0 C--N 1.324 -0.501 0 N-CA-C 112.121 0.415 . . . . 0.0 112.121 -174.206 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 75' ' ' PHE . . . . . . . . . . . . . 41.3 t80 -100.05 -25.71 14.21 Favored 'General case' 0 C--N 1.324 -0.527 0 C-N-CA 120.832 -0.347 . . . . 0.0 111.083 -173.68 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 37.3 mt-10 62.23 23.07 13.6 Favored 'General case' 0 C--O 1.236 0.35 0 CA-C-N 115.913 -0.585 . . . . 0.0 111.633 179.257 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . -146.12 80.98 0.21 Allowed Glycine 0 N--CA 1.447 -0.61 0 C-N-CA 120.426 -0.892 . . . . 0.0 112.584 -178.3 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 78' ' ' LYS . . . . . 0.4 ' HD2' ' O ' ' A' ' 78' ' ' LYS . 1.8 pptp? -124.49 152.72 43.03 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-O 120.894 0.378 . . . . 0.0 110.404 175.066 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 79' ' ' ASP . . . . . . . . . . . . . 31.8 t70 -104.43 -11.19 17.21 Favored 'General case' 0 C--N 1.323 -0.551 0 CA-C-O 121.406 0.622 . . . . 0.0 110.306 179.12 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 80' ' ' VAL . . . . . . . . . . . . . 3.7 t -80.87 92.92 2.05 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.418 0 CA-C-N 116.057 -0.519 . . . . 0.0 110.189 -179.619 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 81' ' ' HIS . . . . . . . . . . . . . 4.2 p-80 -70.42 148.59 48.18 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.115 -0.493 . . . . 0.0 111.564 -177.993 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 82' ' ' ILE . . . . . 0.44 HG12 ' NE2' ' A' ' 68' ' ' GLN . 18.7 mt -106.74 109.23 27.34 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 CA-C-N 115.797 -0.638 . . . . 0.0 110.162 -177.927 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 48.7 mt-10 -109.94 7.74 23.95 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-O 120.708 0.29 . . . . 0.0 111.408 -177.193 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 84' ' ' GLY . . . . . . . . . . . . . . . 98.39 -157.85 20.43 Favored Glycine 0 N--CA 1.447 -0.629 0 C-N-CA 120.46 -0.876 . . . . 0.0 112.062 179.125 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 85' ' ' TYR . . . . . . . . . . . . . 36.1 p90 -109.19 -5.2 16.03 Favored 'General case' 0 C--N 1.325 -0.482 0 CA-C-O 120.911 0.386 . . . . 0.0 111.255 -177.551 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 86' ' ' THR . . . . . . . . . . . . . 24.4 m -110.38 111.01 57.84 Favored Pre-proline 0 C--N 1.324 -0.5 0 CA-C-N 116.422 -0.354 . . . . 0.0 110.792 -179.951 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 87' ' ' PRO . . . . . . . . . . . . . 84.6 Cg_endo -87.05 -179.63 2.91 Favored 'Trans proline' 0 N--CA 1.458 -0.595 0 C-N-CA 122.97 2.447 . . . . 0.0 112.409 177.948 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 88' ' ' GLU . . . . . . . . . . . . . 9.6 pt-20 -143.24 165.25 27.98 Favored 'General case' 0 C--N 1.322 -0.618 0 CA-C-N 116.027 -0.533 . . . . 0.0 109.756 176.614 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 89' ' ' ASP . . . . . . . . . . . . . 34.8 m-20 -80.51 156.11 26.68 Favored 'General case' 0 C--N 1.325 -0.473 0 CA-C-O 121.169 0.509 . . . . 0.0 111.23 -174.783 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 4.2 tppp? -115.65 131.95 56.78 Favored 'General case' 0 C--N 1.324 -0.533 0 CA-C-N 115.571 -0.741 . . . . 0.0 110.101 -178.733 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 91' ' ' LYS . . . . . . . . . . . . . 54.6 mtpt . . . . . 0 C--O 1.249 1.028 0 CA-C-O 118.571 -0.728 . . . . 0.0 110.058 175.815 . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 85.3 mmm . . . . . 0 N--CA 1.483 1.185 0 CA-C-O 120.531 0.205 . . . . 0.0 110.628 . . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 34.2 m 64.27 43.65 4.72 Favored 'General case' 0 C--N 1.332 -0.175 0 CA-C-N 115.856 -0.611 . . . . 0.0 111.58 176.596 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 3' ' ' ARG . . . . . . . . . . . . . 38.3 ttm180 -81.55 91.24 6.33 Favored 'General case' 0 C--N 1.328 -0.344 0 N-CA-C 108.035 -1.098 . . . . 0.0 108.035 171.009 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 23.7 p -116.0 150.5 37.11 Favored 'General case' 0 N--CA 1.446 -0.669 0 CA-C-N 115.076 -0.965 . . . . 0.0 111.721 -170.653 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 5' ' ' ILE . . . . . . . . . . . . . 2.9 pp -131.15 152.38 37.37 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.818 0 CA-C-N 115.099 -0.955 . . . . 0.0 109.428 176.525 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 6' ' ' PHE . . . . . . . . . . . . . 54.5 t80 -78.67 107.93 11.71 Favored 'General case' 0 C--N 1.322 -0.612 0 N-CA-C 109.263 -0.643 . . . . 0.0 109.263 178.175 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 7' ' ' CYS . . . . . 0.441 ' HB2' ' HB2' ' A' ' 10' ' ' LEU . 44.5 m -70.79 127.51 32.88 Favored 'General case' 0 C--N 1.319 -0.739 0 CA-C-N 115.776 -0.647 . . . . 0.0 111.089 -176.374 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 10.0 p -66.9 -43.24 83.91 Favored 'General case' 0 C--N 1.322 -0.624 0 CA-C-O 121.231 0.538 . . . . 0.0 111.068 179.675 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 9' ' ' TYR . . . . . . . . . . . . . 76.3 t80 -81.85 -31.52 31.56 Favored 'General case' 0 C--N 1.324 -0.519 0 CA-C-N 115.921 -0.581 . . . . 0.0 111.895 -177.007 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 10' ' ' LEU . . . . . 0.441 ' HB2' ' HB2' ' A' ' 7' ' ' CYS . 90.3 mt -96.3 -21.7 17.66 Favored 'General case' 0 C--N 1.326 -0.425 0 C-N-CA 120.81 -0.356 . . . . 0.0 111.73 -175.413 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 32.1 mm-40 63.93 18.32 11.11 Favored 'General case' 0 N--CA 1.467 0.384 0 N-CA-C 112.23 0.456 . . . . 0.0 112.23 178.013 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 95.0 mtt180 -125.57 173.35 9.02 Favored 'General case' 0 C--N 1.325 -0.477 0 CA-C-O 120.754 0.312 . . . . 0.0 110.244 178.053 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 11.1 m-20 -91.59 110.85 22.18 Favored 'General case' 0 C--N 1.322 -0.603 0 CA-C-N 115.673 -0.694 . . . . 0.0 109.598 176.503 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 14' ' ' ALA . . . . . 0.419 ' HB2' ' SG ' ' A' ' 7' ' ' CYS . . . -130.75 163.73 26.66 Favored 'General case' 0 C--N 1.318 -0.795 0 CA-C-N 116.285 -0.416 . . . . 0.0 110.442 -179.036 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 43.7 tt0 -63.89 123.05 17.96 Favored 'General case' 0 C--N 1.322 -0.617 0 CA-C-N 116.125 -0.488 . . . . 0.0 110.617 -178.015 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . -65.1 149.38 51.71 Favored Glycine 0 N--CA 1.448 -0.558 0 CA-C-N 115.513 -0.767 . . . . 0.0 112.547 -177.282 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 17' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -72.14 97.74 2.0 Allowed 'General case' 0 C--N 1.323 -0.562 0 N-CA-C 109.327 -0.62 . . . . 0.0 109.327 179.216 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 18.4 t70 -90.03 4.16 51.04 Favored 'General case' 0 C--N 1.32 -0.698 0 CA-C-N 115.973 -0.558 . . . . 0.0 111.795 -170.007 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 98.5 m-85 -96.93 96.16 8.33 Favored 'General case' 0 C--N 1.322 -0.597 0 CA-C-N 116.231 -0.44 . . . . 0.0 111.426 -177.561 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 36.0 tt0 -96.56 114.71 26.39 Favored 'General case' 0 C--N 1.323 -0.566 0 N-CA-C 109.16 -0.681 . . . . 0.0 109.16 174.153 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -141.88 1.13 1.46 Allowed 'General case' 0 C--N 1.324 -0.515 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.825 -174.128 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 22' ' ' TYR . . . . . 0.526 ' HB3' ' HD3' ' A' ' 23' ' ' PRO . 9.3 t80 -148.79 -56.59 0.02 OUTLIER Pre-proline 0 C--N 1.325 -0.488 0 C-N-CA 121.046 -0.262 . . . . 0.0 111.193 -176.948 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 23' ' ' PRO . . . . . 0.526 ' HD3' ' HB3' ' A' ' 22' ' ' TYR . 19.7 Cg_endo -95.65 147.3 1.36 Allowed 'Trans proline' 0 C--N 1.354 0.824 0 C-N-CA 122.544 2.163 . . . . 0.0 112.915 -177.317 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -95.28 -103.68 1.93 Allowed Glycine 0 N--CA 1.451 -0.365 0 C-N-CA 120.871 -0.681 . . . . 0.0 112.74 -176.765 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 15.5 tp10 -65.3 -40.31 93.65 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-O 121.113 0.483 . . . . 0.0 110.084 -179.071 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 56.7 tp -64.86 -34.07 77.51 Favored 'General case' 0 C--N 1.325 -0.492 0 CA-C-N 115.959 -0.564 . . . . 0.0 109.566 174.944 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 27' ' ' GLY . . . . . 0.522 ' CA ' ' HB2' ' A' ' 23' ' ' PRO . . . -62.51 -57.71 15.37 Favored Glycine 0 N--CA 1.445 -0.715 0 CA-C-N 115.371 -0.831 . . . . 0.0 112.299 178.751 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 12.9 ptmm? -61.74 -25.29 67.36 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-O 120.398 0.142 . . . . 0.0 111.195 -179.04 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 29' ' ' ARG . . . . . 0.418 ' O ' ' HG3' ' A' ' 33' ' ' GLU . 11.6 ttp180 -65.35 -54.88 22.38 Favored 'General case' 0 C--N 1.331 -0.201 0 N-CA-C 109.487 -0.56 . . . . 0.0 109.487 174.874 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 30' ' ' ILE . . . . . . . . . . . . . 69.0 mt -63.87 -37.36 79.53 Favored 'Isoleucine or valine' 0 C--O 1.219 -0.534 0 CA-C-N 115.791 -0.64 . . . . 0.0 110.799 -178.858 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 31' ' ' TYR . . . . . . . . . . . . . 20.7 m-30 -65.05 -26.42 68.24 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-O 121.073 0.463 . . . . 0.0 111.014 177.838 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 32' ' ' ASN . . . . . . . . . . . . . 1.8 t30 -83.58 -22.17 32.4 Favored 'General case' 0 C--N 1.321 -0.658 0 CA-C-N 115.476 -0.784 . . . . 0.0 110.871 179.723 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 33' ' ' GLU . . . . . 0.419 ' O ' ' HA ' ' A' ' 7' ' ' CYS . 41.3 mt-10 -101.82 -24.21 14.08 Favored 'General case' 0 C--N 1.325 -0.49 0 CA-C-O 121.158 0.504 . . . . 0.0 110.945 -178.73 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 34' ' ' ILE . . . . . 0.418 HG21 ' HB3' ' A' ' 38' ' ' ALA . 19.3 mm -124.81 129.62 73.52 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.542 0 CA-C-O 121.315 0.579 . . . . 0.0 111.19 -176.619 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 8.1 p -82.61 171.14 14.38 Favored 'General case' 0 C--N 1.32 -0.681 0 CA-C-N 115.416 -0.811 . . . . 0.0 111.242 178.844 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 95.3 mttt -59.5 -30.46 68.58 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-N 115.985 -0.552 . . . . 0.0 110.955 178.53 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 15.3 m-20 -63.59 -58.22 7.63 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.732 -179.279 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 38' ' ' ALA . . . . . 0.418 ' HB3' HG21 ' A' ' 34' ' ' ILE . . . -66.44 -33.31 75.41 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 115.815 -0.629 . . . . 0.0 110.902 -179.013 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 39' ' ' TRP . . . . . . . . . . . . . 75.0 t-105 -58.8 -53.09 62.35 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 115.904 -0.589 . . . . 0.0 110.53 178.127 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -67.08 -42.73 84.17 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 115.921 -0.581 . . . . 0.0 110.87 179.865 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 55.8 tt0 -55.71 -51.52 67.02 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 115.734 -0.666 . . . . 0.0 111.208 179.838 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 42' ' ' TRP . . . . . 0.431 ' HE1' ' HA ' ' A' ' 70' ' ' MET . 39.7 t-105 -66.52 -47.65 72.26 Favored 'General case' 0 N--CA 1.452 -0.366 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.089 -177.481 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 43' ' ' GLN . . . . . . . . . . . . . 25.8 mt-30 -61.66 -42.22 98.61 Favored 'General case' 0 C--N 1.325 -0.465 0 N-CA-C 111.795 0.294 . . . . 0.0 111.795 -176.723 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 44' ' ' HIS . . . . . . . . . . . . . 7.4 t-80 -66.26 -40.19 89.97 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-O 120.92 0.391 . . . . 0.0 110.406 -177.126 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 45' ' ' LYS . . . . . 0.517 ' HD2' ' O ' ' A' ' 45' ' ' LYS . 2.1 tmmm? -73.1 -39.17 66.02 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.029 178.981 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 46' ' ' GLN . . . . . 0.586 ' O ' HG13 ' A' ' 50' ' ' ILE . 51.5 tp60 -65.16 -39.48 93.03 Favored 'General case' 0 C--N 1.324 -0.504 0 CA-C-N 116.333 -0.394 . . . . 0.0 110.527 -179.844 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 32.7 m -61.53 -38.02 85.89 Favored 'General case' 0 C--N 1.328 -0.342 0 N-CA-C 109.95 -0.389 . . . . 0.0 109.95 176.582 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 48' ' ' MET . . . . . 0.473 ' HB3' ' O ' ' A' ' 45' ' ' LYS . 37.0 ttm -57.44 -48.85 78.06 Favored 'General case' 0 C--N 1.332 -0.192 0 CA-C-N 115.93 -0.577 . . . . 0.0 109.89 173.809 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 49' ' ' LEU . . . . . 0.407 HD11 ' HE3' ' A' ' 45' ' ' LYS . 77.8 mt -62.55 -41.02 98.64 Favored 'General case' 0 C--O 1.221 -0.436 0 CA-C-N 115.715 -0.675 . . . . 0.0 111.111 179.415 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 50' ' ' ILE . . . . . 0.586 HG13 ' O ' ' A' ' 46' ' ' GLN . 88.4 mt -58.12 -37.6 62.95 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.431 0 CA-C-O 120.65 0.262 . . . . 0.0 110.694 179.533 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 51' ' ' ASN . . . . . . . . . . . . . 81.5 m-20 -66.42 -42.79 87.24 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.632 177.94 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 35.7 mt-10 -82.54 -34.82 27.72 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-N 115.957 -0.565 . . . . 0.0 111.754 -174.056 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 99.3 mttt -76.98 -19.23 57.57 Favored 'General case' 0 C--N 1.326 -0.414 0 N-CA-C 109.972 -0.381 . . . . 0.0 109.972 176.335 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 58.0 mtpt 58.81 42.44 19.9 Favored 'General case' 0 N--CA 1.465 0.29 0 CA-C-N 115.749 -0.659 . . . . 0.0 110.201 -179.813 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 69.6 mt -61.08 125.72 24.76 Favored 'General case' 0 C--O 1.234 0.24 0 CA-C-N 115.223 -0.898 . . . . 0.0 112.006 -175.132 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 56' ' ' ASN . . . . . . . . . . . . . 31.4 t30 -95.75 113.59 25.24 Favored 'General case' 0 C--N 1.324 -0.536 0 CA-C-N 115.289 -0.868 . . . . 0.0 109.922 174.37 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 57' ' ' MET . . . . . . . . . . . . . 1.1 mpt? -79.99 -2.38 43.78 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.515 -177.792 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 58' ' ' MET . . . . . . . . . . . . . 59.8 mtm -87.0 1.26 53.42 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-O 121.318 0.58 . . . . 0.0 110.005 177.255 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 59' ' ' ASN . . . . . . . . . . . . . 13.4 t-20 -123.73 134.86 53.61 Favored 'General case' 0 C--N 1.326 -0.443 0 CA-C-N 115.517 -0.765 . . . . 0.0 110.053 178.791 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -64.64 -34.08 77.45 Favored 'General case' 0 C--N 1.328 -0.364 0 N-CA-C 112.824 0.675 . . . . 0.0 112.824 -172.943 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 30.5 mm-40 -67.32 -36.98 82.56 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-O 120.619 0.247 . . . . 0.0 111.451 -174.082 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 62' ' ' HIS . . . . . . . . . . . . . 90.5 m-70 -81.65 -24.96 35.99 Favored 'General case' 0 C--N 1.325 -0.491 0 CA-C-O 121.196 0.522 . . . . 0.0 109.874 178.509 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 63' ' ' ARG . . . . . . . . . . . . . 44.8 tpt85 -70.76 -45.08 65.43 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 115.658 -0.701 . . . . 0.0 110.514 177.52 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 17.6 ptpt -67.74 -35.34 78.55 Favored 'General case' 0 C--N 1.332 -0.194 0 CA-C-N 116.266 -0.424 . . . . 0.0 110.047 178.605 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 66.4 tp -58.37 -40.55 82.59 Favored 'General case' 0 C--O 1.233 0.207 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.172 177.887 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 36.6 tp -58.58 -49.99 75.44 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 115.643 -0.708 . . . . 0.0 110.407 177.348 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 17.2 mm-40 -59.44 -44.21 92.98 Favored 'General case' 0 C--O 1.235 0.306 0 CA-C-O 121.371 0.605 . . . . 0.0 110.667 177.722 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 68' ' ' GLN . . . . . 0.509 ' HB3' HG12 ' A' ' 82' ' ' ILE . 23.4 mt-30 -54.07 -60.3 3.51 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-N 114.927 -1.033 . . . . 0.0 112.077 -177.513 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 17.9 pt-20 -74.49 -26.44 60.01 Favored 'General case' 0 C--N 1.328 -0.33 0 C-N-CA 120.413 -0.515 . . . . 0.0 111.483 -175.626 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 70' ' ' MET . . . . . 0.431 ' HA ' ' HE1' ' A' ' 42' ' ' TRP . 37.5 ttm -60.12 -57.53 12.45 Favored 'General case' 0 C--N 1.331 -0.209 0 CA-C-O 121.199 0.523 . . . . 0.0 110.948 177.422 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 71' ' ' VAL . . . . . . . . . . . . . 60.8 t -69.84 -30.49 44.68 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 CA-C-N 115.825 -0.625 . . . . 0.0 111.156 -177.035 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 13.3 t -68.32 -25.41 65.1 Favored 'General case' 0 C--N 1.323 -0.579 0 CA-C-O 120.642 0.258 . . . . 0.0 110.55 179.914 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 73' ' ' PHE . . . . . . . . . . . . . 59.7 t80 -89.25 -47.99 7.68 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-O 120.806 0.336 . . . . 0.0 110.63 177.861 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 74' ' ' LEU . . . . . . . . . . . . . 95.7 mt -74.96 -38.49 61.69 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.083 -0.508 . . . . 0.0 112.188 -174.571 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 75' ' ' PHE . . . . . 0.431 ' O ' ' HB2' ' A' ' 76' ' ' GLU . 88.3 t80 -104.6 -39.22 6.46 Favored 'General case' 0 C--N 1.326 -0.452 0 C-N-CA 121.197 -0.201 . . . . 0.0 111.433 -175.834 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 76' ' ' GLU . . . . . 0.431 ' HB2' ' O ' ' A' ' 75' ' ' PHE . 22.7 mm-40 68.73 90.13 0.1 Allowed 'General case' 0 C--O 1.236 0.36 0 O-C-N 123.724 0.64 . . . . 0.0 110.474 -176.202 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . 135.58 65.66 0.06 OUTLIER Glycine 0 N--CA 1.447 -0.602 0 C-N-CA 120.938 -0.649 . . . . 0.0 112.183 -179.097 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 11.9 mmmt -88.85 133.22 34.34 Favored 'General case' 0 C--N 1.324 -0.518 0 CA-C-O 121.145 0.498 . . . . 0.0 111.971 -179.919 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 79' ' ' ASP . . . . . . . . . . . . . 9.1 p-10 -64.19 -48.53 75.58 Favored 'General case' 0 C--N 1.325 -0.478 0 CA-C-N 115.206 -0.906 . . . . 0.0 110.03 174.187 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 80' ' ' VAL . . . . . . . . . . . . . 65.2 t -66.13 125.54 23.54 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 115.791 -0.64 . . . . 0.0 110.145 176.401 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 81' ' ' HIS . . . . . . . . . . . . . 68.8 m-70 -78.64 117.76 20.1 Favored 'General case' 0 C--N 1.324 -0.511 0 CA-C-N 116.055 -0.52 . . . . 0.0 110.03 -179.048 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 82' ' ' ILE . . . . . 0.509 HG12 ' HB3' ' A' ' 68' ' ' GLN . 13.6 mt -69.1 116.11 9.09 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.586 0 CA-C-N 116.311 -0.404 . . . . 0.0 110.495 -177.594 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 10.2 tp10 66.87 20.26 10.57 Favored 'General case' 0 N--CA 1.468 0.427 0 CA-C-O 121.911 0.862 . . . . 0.0 109.845 -176.871 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 84' ' ' GLY . . . . . . . . . . . . . . . -145.49 28.07 1.79 Allowed Glycine 0 N--CA 1.444 -0.797 0 CA-C-N 115.481 -0.781 . . . . 0.0 111.887 178.732 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 85' ' ' TYR . . . . . . . . . . . . . 53.7 p90 -87.81 171.21 10.56 Favored 'General case' 0 C--N 1.326 -0.415 0 N-CA-C 110.126 -0.324 . . . . 0.0 110.126 -179.562 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 86' ' ' THR . . . . . . . . . . . . . 70.7 p -103.76 153.21 38.88 Favored Pre-proline 0 C--N 1.322 -0.595 0 CA-C-O 120.73 0.3 . . . . 0.0 111.214 -176.47 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 87' ' ' PRO . . . . . . . . . . . . . 24.1 Cg_exo -65.22 -15.19 48.98 Favored 'Trans proline' 0 C--N 1.346 0.406 0 C-N-CA 122.595 2.197 . . . . 0.0 111.589 174.733 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 88' ' ' GLU . . . . . . . . . . . . . 35.8 tt0 -60.84 -39.75 90.27 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 115.648 -0.706 . . . . 0.0 109.729 177.024 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 89' ' ' ASP . . . . . . . . . . . . . 19.3 t70 73.11 -69.17 0.2 Allowed 'General case' 0 N--CA 1.465 0.324 0 CA-C-N 115.109 -0.951 . . . . 0.0 112.036 173.635 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 23.9 pttm -160.51 172.52 17.06 Favored 'General case' 0 C--N 1.324 -0.501 0 CA-C-O 120.844 0.354 . . . . 0.0 110.684 -177.54 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 91' ' ' LYS . . . . . . . . . . . . . 55.8 mtpt . . . . . 0 C--O 1.245 0.832 0 CA-C-O 118.546 -0.74 . . . . 0.0 109.93 178.402 . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 66.5 mtt . . . . . 0 N--CA 1.483 1.181 0 CA-C-O 120.743 0.306 . . . . 0.0 110.838 . . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 6.5 m -73.73 109.69 7.44 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.62 179.594 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 3' ' ' ARG . . . . . . . . . . . . . 45.8 ttt180 -142.82 106.7 4.68 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-N 116.288 -0.415 . . . . 0.0 109.926 178.501 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 4' ' ' THR . . . . . 0.507 ' HA ' ' O ' ' A' ' 14' ' ' ALA . 4.3 p -101.99 127.0 49.04 Favored 'General case' 0 C--N 1.322 -0.625 0 CA-C-O 120.953 0.406 . . . . 0.0 111.519 -179.523 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 5' ' ' ILE . . . . . . . . . . . . . 2.7 pp -118.4 179.91 1.72 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 CA-C-N 115.741 -0.663 . . . . 0.0 110.608 179.129 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 6' ' ' PHE . . . . . . . . . . . . . 85.3 m-85 -97.4 100.68 12.12 Favored 'General case' 0 C--N 1.323 -0.558 0 N-CA-C 109.766 -0.457 . . . . 0.0 109.766 177.878 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 51.3 t -77.16 138.99 39.8 Favored 'General case' 0 C--N 1.325 -0.495 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.703 -176.917 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 10.9 p -65.28 -46.84 78.84 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-N 115.78 -0.645 . . . . 0.0 112.222 -177.911 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 9' ' ' TYR . . . . . . . . . . . . . 42.3 t80 -78.97 -32.38 45.34 Favored 'General case' 0 C--N 1.323 -0.567 0 CA-C-N 116.255 -0.43 . . . . 0.0 111.097 -174.555 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 10.9 mp -86.32 -33.12 20.7 Favored 'General case' 0 C--N 1.327 -0.393 0 C-N-CA 120.865 -0.334 . . . . 0.0 111.341 -178.77 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 84.9 mm-40 58.71 41.16 22.35 Favored 'General case' 0 N--CA 1.462 0.158 0 CA-C-O 121.535 0.683 . . . . 0.0 110.526 -177.553 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 11.7 mtp180 -146.4 -179.25 6.62 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-N 115.227 -0.897 . . . . 0.0 111.002 -179.828 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 11.0 p-10 -72.59 109.93 6.59 Favored 'General case' 0 C--N 1.325 -0.467 0 CA-C-N 114.967 -1.015 . . . . 0.0 108.709 168.765 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 14' ' ' ALA . . . . . 0.507 ' O ' ' HA ' ' A' ' 4' ' ' THR . . . -132.17 180.0 5.77 Favored 'General case' 0 C--N 1.318 -0.799 0 CA-C-N 115.942 -0.572 . . . . 0.0 111.77 -170.813 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 10.3 mt-10 -71.83 136.36 46.98 Favored 'General case' 0 C--N 1.323 -0.548 0 CA-C-N 115.842 -0.617 . . . . 0.0 110.464 -176.507 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . -80.83 11.67 39.84 Favored Glycine 0 N--CA 1.45 -0.393 0 C-N-CA 120.856 -0.687 . . . . 0.0 112.501 176.659 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 17' ' ' GLN . . . . . 0.598 ' NE2' ' H ' ' A' ' 18' ' ' ASP . 0.0 OUTLIER 61.4 -174.18 0.13 Allowed 'General case' 0 CA--C 1.53 0.192 0 C-N-CA 123.007 0.523 . . . . 0.0 110.903 179.472 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 18' ' ' ASP . . . . . 0.598 ' H ' ' NE2' ' A' ' 17' ' ' GLN . 5.5 p-10 -97.68 165.99 11.7 Favored 'General case' 0 C--N 1.324 -0.52 0 N-CA-C 109.219 -0.66 . . . . 0.0 109.219 174.301 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 97.8 m-85 -88.52 -164.02 1.06 Allowed 'General case' 0 C--N 1.32 -0.699 0 N-CA-C 113.13 0.789 . . . . 0.0 113.13 -165.514 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 10.8 mm100 -64.76 103.56 0.71 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 114.931 -1.031 . . . . 0.0 111.259 -173.813 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -106.04 -18.7 13.95 Favored 'General case' 0 C--N 1.321 -0.638 0 CA-C-N 115.917 -0.583 . . . . 0.0 111.35 175.918 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 22' ' ' TYR . . . . . 0.48 ' H ' ' HD2' ' A' ' 23' ' ' PRO . 43.3 m-85 -151.52 -57.3 0.02 OUTLIER Pre-proline 0 CA--C 1.537 0.481 0 CA-C-N 115.957 -0.565 . . . . 0.0 111.794 -178.281 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 23' ' ' PRO . . . . . 0.48 ' HD2' ' H ' ' A' ' 22' ' ' TYR . 86.7 Cg_endo -78.65 174.06 12.81 Favored 'Trans proline' 0 C--N 1.359 1.124 0 C-N-CA 122.07 1.847 . . . . 0.0 113.273 -171.835 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -106.81 -128.78 6.08 Favored Glycine 0 N--CA 1.445 -0.763 0 CA-C-N 115.686 -0.688 . . . . 0.0 112.361 -179.176 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 25' ' ' GLU . . . . . 0.456 ' HA ' ' HE3' ' A' ' 28' ' ' LYS . 9.9 pt-20 -58.22 -38.44 76.82 Favored 'General case' 0 C--N 1.326 -0.439 0 N-CA-C 112.155 0.428 . . . . 0.0 112.155 -176.08 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 26' ' ' LEU . . . . . 0.528 ' O ' HG13 ' A' ' 30' ' ' ILE . 43.9 tp -67.75 -33.65 75.27 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-O 120.933 0.397 . . . . 0.0 110.147 -179.892 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . -66.31 -51.95 39.6 Favored Glycine 0 N--CA 1.448 -0.532 0 CA-C-N 115.805 -0.634 . . . . 0.0 112.623 -178.818 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 28' ' ' LYS . . . . . 0.456 ' HE3' ' HA ' ' A' ' 25' ' ' GLU . 22.6 pttp -65.67 -27.43 68.35 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-O 120.51 0.195 . . . . 0.0 110.926 -178.32 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 77.7 ttt180 -62.1 -44.81 95.85 Favored 'General case' 0 C--O 1.224 -0.243 0 N-CA-C 109.801 -0.444 . . . . 0.0 109.801 174.327 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 30' ' ' ILE . . . . . 0.528 HG13 ' O ' ' A' ' 26' ' ' LEU . 60.8 mt -64.84 -44.31 96.31 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 CA-C-N 116.279 -0.419 . . . . 0.0 110.896 179.873 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 31' ' ' TYR . . . . . . . . . . . . . 23.4 m-85 -67.58 -33.18 74.49 Favored 'General case' 0 C--N 1.324 -0.539 0 N-CA-C 112.708 0.633 . . . . 0.0 112.708 -173.236 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 32' ' ' ASN . . . . . . . . . . . . . 0.0 OUTLIER -90.42 0.72 57.17 Favored 'General case' 0 C--N 1.327 -0.374 0 C-N-CA 119.933 -0.707 . . . . 0.0 111.214 -178.673 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 8.8 mm-40 -109.54 -25.29 10.54 Favored 'General case' 0 C--N 1.331 -0.2 0 CA-C-O 121.245 0.545 . . . . 0.0 110.144 174.987 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 34' ' ' ILE . . . . . . . . . . . . . 26.2 mm -120.4 119.48 59.96 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.572 0 CA-C-O 121.394 0.616 . . . . 0.0 111.892 -173.686 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 35' ' ' SER . . . . . 0.4 ' CB ' ' HB2' ' A' ' 14' ' ' ALA . 5.8 t -70.76 152.85 43.35 Favored 'General case' 0 C--N 1.321 -0.647 0 CA-C-N 115.004 -0.998 . . . . 0.0 109.756 175.443 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 36' ' ' LYS . . . . . 0.507 ' HG2' ' OE1' ' A' ' 17' ' ' GLN . 53.7 mttm -55.05 -26.98 41.23 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-O 120.641 0.258 . . . . 0.0 110.817 174.568 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 37' ' ' ASP . . . . . 0.474 ' O ' ' HG3' ' A' ' 41' ' ' GLN . 29.0 t70 -53.06 -57.66 9.66 Favored 'General case' 0 C--N 1.325 -0.472 0 CA-C-N 115.993 -0.549 . . . . 0.0 110.747 173.891 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -76.35 -34.33 58.95 Favored 'General case' 0 C--N 1.326 -0.445 0 CA-C-N 115.918 -0.583 . . . . 0.0 110.941 -179.24 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 39' ' ' TRP . . . . . 0.435 ' HB3' ' HA ' ' A' ' 36' ' ' LYS . 77.0 t-105 -61.43 -47.61 84.94 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 120.807 0.336 . . . . 0.0 110.526 -179.966 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -63.13 -46.86 85.27 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 116.088 -0.505 . . . . 0.0 110.698 179.465 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 41' ' ' GLN . . . . . 0.474 ' HG3' ' O ' ' A' ' 37' ' ' ASP . 98.4 mt-30 -58.71 -49.27 78.21 Favored 'General case' 0 CA--C 1.519 -0.236 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.841 179.126 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 42' ' ' TRP . . . . . 0.427 ' HE1' ' HA ' ' A' ' 70' ' ' MET . 33.6 t-105 -65.26 -46.38 80.76 Favored 'General case' 0 C--O 1.221 -0.396 0 CA-C-N 116.478 -0.328 . . . . 0.0 111.259 -177.363 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 43' ' ' GLN . . . . . . . . . . . . . 74.4 mm-40 -62.88 -40.06 96.36 Favored 'General case' 0 C--N 1.323 -0.576 0 C-N-CA 120.973 -0.291 . . . . 0.0 111.125 179.528 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 44' ' ' HIS . . . . . . . . . . . . . 9.7 t60 -66.32 -43.26 86.68 Favored 'General case' 0 C--N 1.324 -0.506 0 CA-C-O 121.286 0.565 . . . . 0.0 110.123 179.103 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 25.5 tptp -67.3 -52.32 41.99 Favored 'General case' 0 C--N 1.323 -0.563 0 CA-C-N 115.217 -0.901 . . . . 0.0 110.55 -178.435 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 46' ' ' GLN . . . . . 0.481 ' O ' HG13 ' A' ' 50' ' ' ILE . 52.0 tp60 -61.13 -41.18 96.25 Favored 'General case' 0 C--N 1.323 -0.552 0 CA-C-N 115.652 -0.704 . . . . 0.0 111.098 -177.129 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 90.7 m -63.79 -34.12 77.2 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-O 120.872 0.367 . . . . 0.0 110.465 178.173 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 48' ' ' MET . . . . . . . . . . . . . 14.8 tpt -68.79 -41.43 78.76 Favored 'General case' 0 C--N 1.329 -0.313 0 N-CA-C 109.75 -0.463 . . . . 0.0 109.75 176.233 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 9.5 mp -60.93 -37.25 81.69 Favored 'General case' 0 C--N 1.332 -0.179 0 CA-C-N 115.867 -0.606 . . . . 0.0 110.355 174.926 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 50' ' ' ILE . . . . . 0.481 HG13 ' O ' ' A' ' 46' ' ' GLN . 81.3 mt -62.97 -30.89 50.71 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.389 0 CA-C-N 116.022 -0.535 . . . . 0.0 110.767 176.632 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 51' ' ' ASN . . . . . . . . . . . . . 94.4 m-20 -76.96 -36.76 56.28 Favored 'General case' 0 C--N 1.324 -0.527 0 CA-C-N 116.5 -0.318 . . . . 0.0 110.86 177.587 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 46.0 mt-10 -71.76 -50.81 26.65 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 121.06 0.457 . . . . 0.0 110.836 179.416 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 94.2 mttt -73.68 -21.51 60.23 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-N 115.857 -0.61 . . . . 0.0 110.405 179.434 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 42.8 mtmt 54.49 70.06 0.66 Allowed 'General case' 0 C--O 1.234 0.279 0 CA-C-N 115.415 -0.811 . . . . 0.0 110.099 -170.231 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 55' ' ' LEU . . . . . 0.407 ' HB2' HG21 ' A' ' 50' ' ' ILE . 76.8 mt -88.77 101.59 14.17 Favored 'General case' 0 C--N 1.326 -0.452 0 CA-C-N 115.366 -0.833 . . . . 0.0 110.347 -178.416 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 56' ' ' ASN . . . . . . . . . . . . . 46.6 t-20 -87.62 122.38 31.24 Favored 'General case' 0 C--N 1.318 -0.768 0 N-CA-C 108.956 -0.757 . . . . 0.0 108.956 175.987 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 57' ' ' MET . . . . . . . . . . . . . 25.7 mmt -79.16 19.94 0.53 Allowed 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.605 -175.739 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 58' ' ' MET . . . . . . . . . . . . . 27.2 ptt? -73.28 -24.38 60.43 Favored 'General case' 0 C--N 1.326 -0.448 0 CA-C-O 121.199 0.523 . . . . 0.0 109.615 173.722 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 59' ' ' ASN . . . . . . . . . . . . . 4.5 m-20 -116.2 138.04 51.62 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 115.603 -0.726 . . . . 0.0 110.247 178.062 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -65.35 -24.08 67.16 Favored 'General case' 0 C--N 1.326 -0.442 0 CA-C-N 115.927 -0.579 . . . . 0.0 111.249 -177.832 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 33.1 mt-10 -45.59 -53.39 9.18 Favored 'General case' 0 N--CA 1.465 0.316 0 O-C-N 123.664 0.603 . . . . 0.0 111.318 177.911 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 62' ' ' HIS . . . . . . . . . . . . . 78.2 m-70 -82.57 -19.98 37.46 Favored 'General case' 0 C--N 1.325 -0.478 0 CA-C-N 115.376 -0.829 . . . . 0.0 110.626 -172.623 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 63' ' ' ARG . . . . . . . . . . . . . 4.5 tmm_? -76.8 -32.01 57.35 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 116.057 -0.52 . . . . 0.0 109.758 178.661 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 7.7 mtpm? -77.31 -27.01 52.79 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.445 -0.343 . . . . 0.0 110.303 175.756 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 65' ' ' LEU . . . . . 0.492 ' O ' ' HG3' ' A' ' 69' ' ' GLU . 18.9 mt -58.87 -46.25 88.23 Favored 'General case' 0 C--N 1.329 -0.286 0 N-CA-C 109.591 -0.522 . . . . 0.0 109.591 170.373 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 52.0 tp -56.98 -43.61 81.84 Favored 'General case' 0 C--O 1.224 -0.282 0 CA-C-N 115.533 -0.758 . . . . 0.0 110.207 176.652 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 34.0 tt0 -56.07 -54.15 48.44 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 115.962 -0.563 . . . . 0.0 111.106 177.185 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 68' ' ' GLN . . . . . . . . . . . . . 28.4 mt-30 -59.09 -48.18 82.54 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 115.997 -0.547 . . . . 0.0 111.233 -177.878 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 69' ' ' GLU . . . . . 0.492 ' HG3' ' O ' ' A' ' 65' ' ' LEU . 29.8 mt-10 -66.53 -39.16 88.45 Favored 'General case' 0 C--O 1.235 0.341 0 CA-C-O 120.774 0.321 . . . . 0.0 110.479 -178.795 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 70' ' ' MET . . . . . 0.427 ' HA ' ' HE1' ' A' ' 42' ' ' TRP . 50.1 tpp -58.31 -57.21 13.89 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 115.996 -0.547 . . . . 0.0 111.023 178.797 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 71' ' ' VAL . . . . . . . . . . . . . 60.0 t -62.49 -31.99 53.75 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 115.959 -0.564 . . . . 0.0 110.382 -178.586 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 72' ' ' SER . . . . . 0.433 ' O ' ' HG2' ' A' ' 76' ' ' GLU . 32.5 t -65.1 -65.9 0.61 Allowed 'General case' 0 C--N 1.322 -0.604 0 CA-C-N 116.129 -0.487 . . . . 0.0 111.05 -179.347 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 73' ' ' PHE . . . . . . . . . . . . . 51.7 t80 -64.89 -36.76 85.39 Favored 'General case' 0 C--N 1.323 -0.55 0 N-CA-C 111.985 0.365 . . . . 0.0 111.985 -171.996 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 74' ' ' LEU . . . . . . . . . . . . . 78.0 mt -85.66 -35.18 21.07 Favored 'General case' 0 C--N 1.325 -0.462 0 N-CA-C 112.592 0.59 . . . . 0.0 112.592 -173.833 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 75' ' ' PHE . . . . . . . . . . . . . 96.3 m-85 -118.18 -43.89 2.72 Favored 'General case' 0 C--N 1.328 -0.329 0 N-CA-C 112.351 0.501 . . . . 0.0 112.351 -175.198 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 76' ' ' GLU . . . . . 0.433 ' HG2' ' O ' ' A' ' 72' ' ' SER . 19.3 mm-40 62.6 18.83 10.84 Favored 'General case' 0 N--CA 1.463 0.183 0 CA-C-O 121.21 0.528 . . . . 0.0 111.029 -171.476 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . -92.39 37.01 3.48 Favored Glycine 0 N--CA 1.445 -0.727 0 C-N-CA 120.839 -0.696 . . . . 0.0 112.128 -179.433 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -124.74 161.67 25.9 Favored 'General case' 0 C--N 1.322 -0.605 0 N-CA-C 110.295 -0.261 . . . . 0.0 110.295 178.281 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 79' ' ' ASP . . . . . . . . . . . . . 2.0 p-10 -111.6 3.57 18.03 Favored 'General case' 0 C--N 1.322 -0.615 0 N-CA-C 109.645 -0.502 . . . . 0.0 109.645 174.651 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 80' ' ' VAL . . . . . . . . . . . . . 45.7 t -78.79 113.1 17.63 Favored 'Isoleucine or valine' 0 N--CA 1.45 -0.453 0 CA-C-N 115.42 -0.809 . . . . 0.0 110.351 -179.592 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 81' ' ' HIS . . . . . . . . . . . . . 45.9 m80 -82.87 117.59 22.84 Favored 'General case' 0 C--N 1.323 -0.545 0 CA-C-N 116.071 -0.513 . . . . 0.0 109.783 176.556 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 82' ' ' ILE . . . . . 0.603 ' O ' ' HG3' ' A' ' 83' ' ' GLU . 42.4 mt -76.84 109.91 11.8 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.529 0 CA-C-N 116.049 -0.523 . . . . 0.0 110.847 -174.893 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 83' ' ' GLU . . . . . 0.603 ' HG3' ' O ' ' A' ' 82' ' ' ILE . 0.2 OUTLIER 50.49 21.51 0.87 Allowed 'General case' 0 N--CA 1.476 0.844 0 C-N-CA 124.485 1.114 . . . . 0.0 112.668 -179.887 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 84' ' ' GLY . . . . . . . . . . . . . . . -99.46 134.89 11.86 Favored Glycine 0 N--CA 1.446 -0.677 0 N-CA-C 111.476 -0.65 . . . . 0.0 111.476 177.237 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 85' ' ' TYR . . . . . . . . . . . . . 60.6 m-85 -66.45 122.21 17.03 Favored 'General case' 0 C--N 1.325 -0.475 0 CA-C-O 120.939 0.399 . . . . 0.0 111.081 -177.555 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 86' ' ' THR . . . . . . . . . . . . . 34.8 p -89.28 137.31 29.29 Favored Pre-proline 0 C--N 1.322 -0.598 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.727 -179.572 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 87' ' ' PRO . . . . . . . . . . . . . 39.2 Cg_endo -66.86 99.72 0.47 Allowed 'Trans proline' 0 C--O 1.234 0.312 0 C-N-CA 122.647 2.231 . . . . 0.0 111.709 177.599 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 88' ' ' GLU . . . . . . . . . . . . . 42.9 mt-10 -104.42 -71.78 0.73 Allowed 'General case' 0 C--N 1.325 -0.458 0 CA-C-N 116.112 -0.494 . . . . 0.0 111.0 -176.367 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 89' ' ' ASP . . . . . . . . . . . . . 14.5 t70 -75.17 -38.61 60.82 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-O 120.995 0.426 . . . . 0.0 110.07 -176.618 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 27.7 mtpp -91.35 124.76 35.78 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-N 115.912 -0.586 . . . . 0.0 110.19 176.915 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 91' ' ' LYS . . . . . . . . . . . . . 14.3 mptt . . . . . 0 C--O 1.25 1.084 0 CA-C-O 118.387 -0.816 . . . . 0.0 110.079 178.002 . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.481 1.121 0 CA-C-O 120.89 0.376 . . . . 0.0 110.545 . . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 10.8 t -90.91 -146.89 0.2 Allowed 'General case' 0 C--N 1.325 -0.486 0 CA-C-N 116.005 -0.543 . . . . 0.0 109.87 -179.793 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 3' ' ' ARG . . . . . . . . . . . . . 41.7 ttm180 -79.68 134.15 36.4 Favored 'General case' 0 C--N 1.326 -0.438 0 N-CA-C 109.598 -0.519 . . . . 0.0 109.598 177.462 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -87.83 105.63 17.54 Favored 'General case' 0 C--N 1.321 -0.664 0 CA-C-O 121.505 0.669 . . . . 0.0 111.32 -177.826 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 5' ' ' ILE . . . . . . . . . . . . . 2.7 pp -106.34 151.59 8.28 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.699 0 CA-C-N 115.298 -0.865 . . . . 0.0 109.56 177.757 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 6' ' ' PHE . . . . . . . . . . . . . 70.7 m-85 -87.64 108.41 19.07 Favored 'General case' 0 C--N 1.316 -0.88 0 CA-C-O 121.147 0.498 . . . . 0.0 110.279 178.043 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 7' ' ' CYS . . . . . 0.434 ' HG ' ' HA ' ' A' ' 34' ' ' ILE . 54.0 t -69.23 141.91 54.34 Favored 'General case' 0 C--N 1.324 -0.531 0 CA-C-N 115.255 -0.884 . . . . 0.0 111.092 -175.964 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 2.6 p -66.89 -47.06 72.99 Favored 'General case' 0 C--N 1.321 -0.635 0 CA-C-N 115.91 -0.586 . . . . 0.0 111.606 -179.364 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 9' ' ' TYR . . . . . . . . . . . . . 64.8 t80 -69.26 -44.1 72.6 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.43 -178.801 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 10' ' ' LEU . . . . . 0.414 ' O ' ' HB2' ' A' ' 11' ' ' GLN . 89.5 mt -80.19 -34.48 37.42 Favored 'General case' 0 C--N 1.325 -0.469 0 CA-C-N 116.494 -0.321 . . . . 0.0 111.527 -175.675 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 11' ' ' GLN . . . . . 0.414 ' HB2' ' O ' ' A' ' 10' ' ' LEU . 32.0 mm-40 67.16 13.69 9.51 Favored 'General case' 0 N--CA 1.47 0.543 0 CA-C-O 121.74 0.781 . . . . 0.0 109.568 -171.586 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 11.8 tpp180 -119.73 157.9 27.61 Favored 'General case' 0 C--N 1.322 -0.593 0 CA-C-N 114.763 -1.108 . . . . 0.0 109.215 -176.509 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 6.8 p-10 -65.9 132.48 48.75 Favored 'General case' 0 C--N 1.323 -0.549 0 CA-C-O 121.036 0.445 . . . . 0.0 109.905 174.507 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -141.88 175.58 9.6 Favored 'General case' 0 C--N 1.317 -0.832 0 CA-C-N 115.668 -0.696 . . . . 0.0 109.516 179.766 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 10.8 pt-20 -94.01 145.34 24.73 Favored 'General case' 0 C--N 1.317 -0.815 0 C-N-CA 120.667 -0.413 . . . . 0.0 110.32 -179.405 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . -59.44 131.39 51.26 Favored Glycine 0 N--CA 1.448 -0.501 0 N-CA-C 110.502 -1.039 . . . . 0.0 110.502 170.753 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 17' ' ' GLN . . . . . 0.405 HE21 ' HB3' ' A' ' 17' ' ' GLN . 22.4 mt-30 -60.84 -93.11 0.0 OUTLIER 'General case' 0 C--N 1.327 -0.385 0 N-CA-C 113.035 0.754 . . . . 0.0 113.035 -172.378 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 4.5 m-20 -143.33 -173.03 3.82 Favored 'General case' 0 C--N 1.323 -0.561 0 CA-C-N 115.943 -0.571 . . . . 0.0 111.048 -170.692 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 80.1 m-85 -101.45 179.74 4.27 Favored 'General case' 0 C--N 1.322 -0.606 0 CA-C-N 115.324 -0.853 . . . . 0.0 110.018 -179.291 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 0.9 OUTLIER -67.89 99.27 0.82 Allowed 'General case' 0 C--N 1.323 -0.566 0 CA-C-N 116.42 -0.355 . . . . 0.0 110.809 -179.839 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 21' ' ' LEU . . . . . 0.479 ' H ' HD12 ' A' ' 21' ' ' LEU . 0.0 OUTLIER -102.05 -14.7 17.02 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 116.006 -0.543 . . . . 0.0 110.505 175.592 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 22' ' ' TYR . . . . . 0.535 ' HB3' ' HD3' ' A' ' 23' ' ' PRO . 66.8 t80 -169.28 -51.65 0.0 OUTLIER Pre-proline 0 CA--C 1.534 0.356 0 CA-C-N 115.746 -0.661 . . . . 0.0 111.031 177.503 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 23' ' ' PRO . . . . . 0.535 ' HD3' ' HB3' ' A' ' 22' ' ' TYR . 13.9 Cg_exo -71.27 142.1 40.69 Favored 'Trans proline' 0 C--N 1.357 1.0 0 C-N-CA 121.82 1.68 . . . . 0.0 111.666 179.622 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -86.09 -138.79 5.04 Favored Glycine 0 N--CA 1.447 -0.595 0 C-N-CA 120.793 -0.718 . . . . 0.0 112.791 -175.248 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 10.9 pt-20 -62.84 -30.89 71.85 Favored 'General case' 0 C--N 1.327 -0.382 0 N-CA-C 111.706 0.262 . . . . 0.0 111.706 -176.132 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 53.3 tp -63.05 -49.13 75.76 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-O 120.919 0.39 . . . . 0.0 110.258 178.799 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . -67.06 -38.48 92.55 Favored Glycine 0 N--CA 1.448 -0.556 0 C-N-CA 120.797 -0.716 . . . . 0.0 111.752 178.695 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 57.4 tttp -57.59 -46.6 83.82 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-O 121.062 0.458 . . . . 0.0 110.524 178.065 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 16.0 ttp180 -56.42 -45.9 80.5 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 115.744 -0.662 . . . . 0.0 109.664 178.187 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 30' ' ' ILE . . . . . . . . . . . . . 75.7 mt -63.52 -33.36 61.01 Favored 'Isoleucine or valine' 0 C--O 1.224 -0.288 0 CA-C-N 115.584 -0.734 . . . . 0.0 111.332 179.945 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 31' ' ' TYR . . . . . . . . . . . . . 23.0 m-30 -68.27 -17.78 64.37 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-O 120.747 0.308 . . . . 0.0 110.974 178.552 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 32' ' ' ASN . . . . . . . . . . . . . 45.8 m-80 -90.51 -0.65 57.75 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-N 116.363 -0.381 . . . . 0.0 111.333 174.023 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 33' ' ' GLU . . . . . 0.407 ' O ' ' HA ' ' A' ' 7' ' ' CYS . 27.2 mt-10 -122.07 -35.0 3.23 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-O 121.204 0.526 . . . . 0.0 111.314 -177.089 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 34' ' ' ILE . . . . . 0.434 ' HA ' ' HG ' ' A' ' 7' ' ' CYS . 30.1 mm -115.07 148.39 17.83 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.835 0 CA-C-N 115.961 -0.563 . . . . 0.0 110.038 -177.934 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 8.6 t -108.12 173.35 6.36 Favored 'General case' 0 N--CA 1.445 -0.686 0 CA-C-O 120.906 0.384 . . . . 0.0 110.107 175.647 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 84.0 mttt -55.84 -35.47 66.45 Favored 'General case' 0 C--N 1.323 -0.546 0 CA-C-N 115.252 -0.886 . . . . 0.0 112.856 -172.141 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 37' ' ' ASP . . . . . 0.518 ' O ' ' HG2' ' A' ' 41' ' ' GLN . 14.9 t70 -66.21 -59.93 3.28 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-O 120.674 0.273 . . . . 0.0 110.638 -177.809 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -60.58 -37.12 80.31 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.021 -0.536 . . . . 0.0 110.937 -179.366 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 39' ' ' TRP . . . . . 0.56 ' O ' ' HG3' ' A' ' 43' ' ' GLN . 72.8 t-105 -60.0 -53.26 59.89 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-N 115.793 -0.639 . . . . 0.0 110.47 178.068 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -64.57 -39.31 93.51 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-N 116.079 -0.51 . . . . 0.0 111.382 -178.923 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 41' ' ' GLN . . . . . 0.518 ' HG2' ' O ' ' A' ' 37' ' ' ASP . 25.9 mm-40 -67.13 -41.58 85.9 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.369 -0.378 . . . . 0.0 111.168 -177.842 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 42' ' ' TRP . . . . . 0.436 ' HE1' ' HA ' ' A' ' 70' ' ' MET . 35.0 t-105 -68.07 -40.86 82.62 Favored 'General case' 0 C--N 1.327 -0.395 0 C-N-CA 120.736 -0.385 . . . . 0.0 110.926 -178.84 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 43' ' ' GLN . . . . . 0.56 ' HG3' ' O ' ' A' ' 39' ' ' TRP . 38.7 mt-30 -63.49 -42.03 98.54 Favored 'General case' 0 C--N 1.328 -0.358 0 C-N-CA 120.723 -0.391 . . . . 0.0 109.996 178.354 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 44' ' ' HIS . . . . . . . . . . . . . 28.7 t-80 -56.5 -50.47 71.71 Favored 'General case' 0 C--N 1.326 -0.456 0 CA-C-N 115.733 -0.667 . . . . 0.0 110.277 177.975 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 45' ' ' LYS . . . . . 0.506 ' O ' ' HG ' ' A' ' 49' ' ' LEU . 57.8 tptt -63.66 -52.79 59.17 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-N 115.484 -0.78 . . . . 0.0 111.142 179.646 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 46' ' ' GLN . . . . . 0.58 ' O ' HG13 ' A' ' 50' ' ' ILE . 57.5 tp60 -59.96 -41.8 92.69 Favored 'General case' 0 C--N 1.325 -0.465 0 CA-C-N 115.983 -0.553 . . . . 0.0 111.498 -176.186 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 44.5 m -63.42 -38.56 91.61 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 120.746 0.308 . . . . 0.0 111.065 179.867 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 48' ' ' MET . . . . . . . . . . . . . 53.2 tpp -64.95 -37.73 88.62 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 121.229 0.538 . . . . 0.0 109.724 176.41 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 49' ' ' LEU . . . . . 0.506 ' HG ' ' O ' ' A' ' 45' ' ' LYS . 88.0 mt -68.6 -33.37 73.93 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 115.732 -0.667 . . . . 0.0 110.605 178.3 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 50' ' ' ILE . . . . . 0.58 HG13 ' O ' ' A' ' 46' ' ' GLN . 88.0 mt -62.79 -34.73 67.4 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 CA-C-O 120.93 0.395 . . . . 0.0 110.58 177.06 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 51' ' ' ASN . . . . . . . . . . . . . 90.7 m-20 -64.5 -39.43 93.77 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 115.979 -0.555 . . . . 0.0 110.49 177.867 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 5.9 mm-40 -82.9 -38.61 22.65 Favored 'General case' 0 C--N 1.325 -0.461 0 CA-C-N 115.54 -0.755 . . . . 0.0 111.686 -176.892 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 94.2 mttt -74.86 -25.69 59.15 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-N 116.623 -0.262 . . . . 0.0 110.664 179.051 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 38.1 mtmt 58.16 38.65 26.39 Favored 'General case' 0 C--O 1.234 0.249 0 CA-C-O 121.609 0.719 . . . . 0.0 110.334 -179.078 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 4.6 pp -85.01 141.28 30.42 Favored 'General case' 0 N--CA 1.448 -0.528 0 CA-C-N 115.072 -0.967 . . . . 0.0 110.082 -179.783 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 56' ' ' ASN . . . . . . . . . . . . . 51.0 m-80 -117.48 146.33 43.58 Favored 'General case' 0 C--N 1.32 -0.687 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.183 178.052 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 57' ' ' MET . . . . . . . . . . . . . 1.7 mpt? -77.5 -8.32 57.61 Favored 'General case' 0 C--N 1.325 -0.477 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.447 -179.026 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 58' ' ' MET . . . . . . . . . . . . . 65.9 mtm -66.49 -28.74 68.81 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-N 115.78 -0.645 . . . . 0.0 109.766 173.388 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 59' ' ' ASN . . . . . . . . . . . . . 16.6 m120 -86.18 118.57 25.72 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-N 115.547 -0.752 . . . . 0.0 110.128 178.971 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 60' ' ' ALA . . . . . 0.434 ' O ' ' HG2' ' A' ' 64' ' ' LYS . . . -54.17 -37.15 64.13 Favored 'General case' 0 C--N 1.329 -0.308 0 O-C-N 123.386 0.429 . . . . 0.0 110.759 178.771 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 61' ' ' GLU . . . . . 0.481 ' O ' ' HB2' ' A' ' 65' ' ' LEU . 34.0 tt0 -56.37 -48.18 77.36 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 115.382 -0.826 . . . . 0.0 111.808 178.072 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 62' ' ' HIS . . . . . . . . . . . . . 92.7 m-70 -82.45 -33.05 28.67 Favored 'General case' 0 C--N 1.325 -0.464 0 N-CA-C 112.41 0.522 . . . . 0.0 112.41 -169.332 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 63' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -64.3 -45.14 89.26 Favored 'General case' 0 C--N 1.328 -0.349 0 C-N-CA 120.457 -0.497 . . . . 0.0 111.063 179.687 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 64' ' ' LYS . . . . . 0.508 ' O ' ' HG3' ' A' ' 68' ' ' GLN . 64.4 pttt -74.41 -28.14 60.94 Favored 'General case' 0 C--N 1.329 -0.294 0 C-N-CA 120.7 -0.4 . . . . 0.0 110.206 178.97 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 65' ' ' LEU . . . . . 0.481 ' HB2' ' O ' ' A' ' 61' ' ' GLU . 0.9 OUTLIER -63.29 -45.49 91.16 Favored 'General case' 0 C--N 1.331 -0.232 0 N-CA-C 108.954 -0.758 . . . . 0.0 108.954 176.786 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 8.1 tt -62.43 -40.01 95.17 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 115.677 -0.692 . . . . 0.0 109.858 177.581 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 30.8 tt0 -57.67 -47.94 80.89 Favored 'General case' 0 C--O 1.233 0.234 0 CA-C-N 115.862 -0.608 . . . . 0.0 109.916 175.487 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 68' ' ' GLN . . . . . 0.508 ' HG3' ' O ' ' A' ' 64' ' ' LYS . 27.7 mt-30 -58.73 -45.03 90.53 Favored 'General case' 0 N--CA 1.453 -0.323 0 CA-C-N 115.696 -0.684 . . . . 0.0 110.774 177.789 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 16.8 mt-10 -58.6 -46.88 86.07 Favored 'General case' 0 N--CA 1.463 0.191 0 CA-C-O 120.716 0.293 . . . . 0.0 110.855 179.109 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 70' ' ' MET . . . . . 0.436 ' HA ' ' HE1' ' A' ' 42' ' ' TRP . 38.2 mtt -59.28 -52.69 64.57 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.429 -0.35 . . . . 0.0 111.166 178.877 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 71' ' ' VAL . . . . . 0.433 ' O ' ' HB3' ' A' ' 75' ' ' PHE . 61.6 t -68.93 -21.12 25.36 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.509 0 CA-C-N 116.524 -0.307 . . . . 0.0 111.602 -175.964 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 72' ' ' SER . . . . . 0.43 ' O ' ' HA ' ' A' ' 76' ' ' GLU . 42.4 m -86.34 -19.29 30.01 Favored 'General case' 0 C--N 1.324 -0.527 0 O-C-N 121.875 -0.516 . . . . 0.0 111.422 179.288 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 73' ' ' PHE . . . . . . . . . . . . . 54.7 t80 -100.26 -51.6 3.61 Favored 'General case' 0 C--N 1.325 -0.494 0 CA-C-O 121.029 0.442 . . . . 0.0 110.58 178.521 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 74' ' ' LEU . . . . . . . . . . . . . 94.9 mt -73.94 -31.7 63.17 Favored 'General case' 0 C--N 1.327 -0.413 0 CA-C-N 115.896 -0.593 . . . . 0.0 111.414 -175.917 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 75' ' ' PHE . . . . . 0.536 ' O ' ' HG2' ' A' ' 76' ' ' GLU . 68.0 t80 -112.52 -43.35 3.5 Favored 'General case' 0 C--N 1.326 -0.414 0 N-CA-C 110.268 -0.271 . . . . 0.0 110.268 -178.599 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 76' ' ' GLU . . . . . 0.536 ' HG2' ' O ' ' A' ' 75' ' ' PHE . 2.6 pt-20 73.11 -28.48 0.19 Allowed 'General case' 0 N--CA 1.477 0.908 0 C-N-CA 124.945 1.298 . . . . 0.0 112.815 173.262 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . -90.14 49.74 3.3 Favored Glycine 0 N--CA 1.447 -0.619 0 C-N-CA 120.711 -0.756 . . . . 0.0 113.319 -176.79 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 78' ' ' LYS . . . . . 0.42 ' HE2' ' HB ' ' A' ' 71' ' ' VAL . 0.0 OUTLIER -118.32 145.58 44.99 Favored 'General case' 0 C--N 1.327 -0.393 0 N-CA-C 109.565 -0.532 . . . . 0.0 109.565 176.263 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 79' ' ' ASP . . . . . . . . . . . . . 16.9 p-10 -96.04 -10.35 28.68 Favored 'General case' 0 C--N 1.324 -0.516 0 N-CA-C 112.111 0.412 . . . . 0.0 112.111 -172.279 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 80' ' ' VAL . . . . . . . . . . . . . 60.7 t -68.25 108.93 1.57 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.433 0 N-CA-C 109.729 -0.471 . . . . 0.0 109.729 176.332 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 81' ' ' HIS . . . . . . . . . . . . . 50.3 m80 -77.29 138.06 39.16 Favored 'General case' 0 C--N 1.323 -0.548 0 CA-C-N 115.853 -0.612 . . . . 0.0 111.378 -173.399 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 82' ' ' ILE . . . . . 0.434 HG12 HE21 ' A' ' 68' ' ' GLN . 25.6 mt -95.53 89.83 2.42 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.536 0 CA-C-N 116.017 -0.538 . . . . 0.0 110.37 -179.821 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 9.4 pt-20 -140.08 -39.02 0.45 Allowed 'General case' 0 C--N 1.324 -0.531 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.758 178.924 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 84' ' ' GLY . . . . . . . . . . . . . . . 135.93 133.93 3.28 Favored Glycine 0 N--CA 1.448 -0.502 0 C-N-CA 120.251 -0.976 . . . . 0.0 112.881 175.172 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 85' ' ' TYR . . . . . . . . . . . . . 15.3 t80 56.3 91.77 0.03 OUTLIER 'General case' 0 N--CA 1.464 0.254 0 C-N-CA 123.41 0.684 . . . . 0.0 111.502 178.423 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 86' ' ' THR . . . . . . . . . . . . . 27.6 m -134.79 94.34 16.77 Favored Pre-proline 0 C--N 1.324 -0.51 0 CA-C-O 121.106 0.479 . . . . 0.0 111.266 -179.927 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 87' ' ' PRO . . . . . . . . . . . . . 55.2 Cg_endo -97.4 104.33 0.08 OUTLIER 'Trans proline' 0 N--CA 1.451 -1.009 0 C-N-CA 123.52 2.813 . . . . 0.0 111.534 173.673 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 88' ' ' GLU . . . . . . . . . . . . . 35.1 tt0 -87.35 121.85 30.34 Favored 'General case' 0 C--N 1.324 -0.537 0 CA-C-O 120.847 0.356 . . . . 0.0 110.474 -178.015 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 89' ' ' ASP . . . . . . . . . . . . . 18.4 t70 -132.69 131.28 41.11 Favored 'General case' 0 C--N 1.324 -0.518 0 CA-C-N 115.892 -0.594 . . . . 0.0 110.241 179.304 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 79.2 mttt -131.95 20.03 4.55 Favored 'General case' 0 C--N 1.325 -0.486 0 CA-C-N 116.327 -0.397 . . . . 0.0 111.426 -176.079 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 91' ' ' LYS . . . . . . . . . . . . . 49.4 mttp . . . . . 0 C--O 1.246 0.898 0 CA-C-O 118.961 -0.542 . . . . 0.0 110.464 175.75 . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 27.2 ptt? . . . . . 0 N--CA 1.482 1.165 0 N-CA-C 110.04 -0.356 . . . . 0.0 110.04 . . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 11.9 t 59.89 -157.16 0.33 Allowed 'General case' 0 C--O 1.236 0.386 0 CA-C-O 120.995 0.426 . . . . 0.0 110.903 179.071 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 3' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -133.98 135.75 43.68 Favored 'General case' 0 C--N 1.321 -0.648 0 N-CA-C 109.907 -0.405 . . . . 0.0 109.907 178.844 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 16.9 p -99.78 139.26 35.7 Favored 'General case' 0 C--N 1.321 -0.654 0 CA-C-O 121.071 0.462 . . . . 0.0 111.361 179.922 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 5' ' ' ILE . . . . . . . . . . . . . 43.6 pt -129.31 157.27 42.11 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.576 0 CA-C-N 115.914 -0.585 . . . . 0.0 110.245 -179.474 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 6' ' ' PHE . . . . . . . . . . . . . 88.7 m-85 -85.23 94.56 8.93 Favored 'General case' 0 C--N 1.321 -0.658 0 N-CA-C 109.522 -0.547 . . . . 0.0 109.522 173.293 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 7' ' ' CYS . . . . . 0.558 ' HA ' ' O ' ' A' ' 33' ' ' GLU . 42.1 t -68.59 123.93 22.22 Favored 'General case' 0 C--N 1.322 -0.59 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.215 -178.04 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 5.4 p -55.53 -44.28 76.55 Favored 'General case' 0 C--N 1.325 -0.499 0 CA-C-N 116.029 -0.532 . . . . 0.0 111.948 -178.022 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 9' ' ' TYR . . . . . . . . . . . . . 74.3 t80 -71.81 -31.79 66.93 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-N 115.942 -0.572 . . . . 0.0 111.577 -175.877 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 91.5 mt -94.34 -26.87 16.38 Favored 'General case' 0 C--N 1.328 -0.363 0 C-N-CA 121.002 -0.279 . . . . 0.0 111.533 -175.982 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 28.7 mm-40 66.77 16.99 10.51 Favored 'General case' 0 N--CA 1.466 0.373 0 C-N-CA 123.115 0.566 . . . . 0.0 111.659 179.79 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 59.4 mtp180 -139.5 -179.24 5.79 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.724 -0.216 . . . . 0.0 110.6 -179.8 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 7.9 m-20 -68.11 116.52 8.82 Favored 'General case' 0 C--O 1.233 0.197 0 CA-C-N 115.934 -0.575 . . . . 0.0 110.753 178.176 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -123.72 179.55 4.75 Favored 'General case' 0 C--N 1.317 -0.828 0 N-CA-C 109.127 -0.694 . . . . 0.0 109.127 175.709 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 13.1 pt-20 -96.27 140.51 30.85 Favored 'General case' 0 C--N 1.32 -0.713 0 C-N-CA 120.198 -0.601 . . . . 0.0 110.209 179.366 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . -63.8 142.13 46.19 Favored Glycine 0 N--CA 1.446 -0.695 0 C-N-CA 120.877 -0.678 . . . . 0.0 111.751 179.296 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 17' ' ' GLN . . . . . . . . . . . . . 0.6 OUTLIER -70.24 -167.89 0.19 Allowed 'General case' 0 C--N 1.325 -0.475 0 CA-C-O 121.22 0.534 . . . . 0.0 111.657 -179.114 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 1.1 t70 -76.57 -168.78 1.06 Allowed 'General case' 0 C--N 1.321 -0.645 0 CA-C-N 115.556 -0.747 . . . . 0.0 111.391 -174.35 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 99.0 m-85 -95.96 -177.05 3.89 Favored 'General case' 0 C--N 1.32 -0.676 0 CA-C-N 115.792 -0.64 . . . . 0.0 110.288 -179.254 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 8.8 mm100 -79.05 88.12 4.81 Favored 'General case' 0 C--N 1.324 -0.5 0 CA-C-O 121.223 0.535 . . . . 0.0 110.653 -177.556 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -85.27 -18.94 32.43 Favored 'General case' 0 C--N 1.323 -0.581 0 CA-C-N 115.424 -0.807 . . . . 0.0 111.235 178.338 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 22' ' ' TYR . . . . . 0.492 ' HB3' ' HD3' ' A' ' 23' ' ' PRO . 87.3 t80 -154.51 -53.08 0.02 OUTLIER Pre-proline 0 CA--C 1.537 0.48 0 N-CA-C 112.267 0.469 . . . . 0.0 112.267 -179.695 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 23' ' ' PRO . . . . . 0.492 ' HD3' ' HB3' ' A' ' 22' ' ' TYR . 12.2 Cg_exo -72.21 162.59 41.22 Favored 'Trans proline' 0 C--N 1.354 0.843 0 C-N-CA 122.02 1.813 . . . . 0.0 112.477 -176.54 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -101.52 -133.24 8.03 Favored Glycine 0 N--CA 1.446 -0.678 0 C-N-CA 120.696 -0.764 . . . . 0.0 112.277 -179.469 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 8.0 mp0 -59.48 -45.79 90.63 Favored 'General case' 0 C--N 1.327 -0.397 0 C-N-CA 122.698 0.399 . . . . 0.0 111.544 -175.79 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 60.2 tp -63.18 -46.42 87.19 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-N 115.982 -0.554 . . . . 0.0 110.951 -177.479 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 27' ' ' GLY . . . . . 0.455 ' HA3' ' HB2' ' A' ' 23' ' ' PRO . . . -67.12 -34.13 85.39 Favored Glycine 0 N--CA 1.45 -0.41 0 C-N-CA 120.616 -0.802 . . . . 0.0 111.792 -179.864 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 38.7 ttpt -62.14 -43.1 99.57 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-O 120.881 0.372 . . . . 0.0 110.022 177.198 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 19.5 ttp180 -55.09 -45.51 75.44 Favored 'General case' 0 C--N 1.333 -0.143 0 CA-C-N 115.866 -0.606 . . . . 0.0 109.866 178.328 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 30' ' ' ILE . . . . . . . . . . . . . 45.4 mt -61.15 -39.57 82.86 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.249 0 CA-C-N 115.842 -0.617 . . . . 0.0 110.751 179.013 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 31' ' ' TYR . . . . . . . . . . . . . 21.7 m-85 -74.8 -8.82 57.6 Favored 'General case' 0 C--N 1.325 -0.459 0 CA-C-O 120.76 0.314 . . . . 0.0 111.323 -179.95 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 32' ' ' ASN . . . . . . . . . . . . . 1.0 OUTLIER -94.48 -24.31 17.35 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.366 -0.379 . . . . 0.0 110.831 176.074 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 33' ' ' GLU . . . . . 0.558 ' O ' ' HA ' ' A' ' 7' ' ' CYS . 41.1 mt-10 -106.22 -24.89 12.19 Favored 'General case' 0 C--N 1.325 -0.491 0 CA-C-O 121.074 0.464 . . . . 0.0 111.477 -176.252 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 34' ' ' ILE . . . . . . . . . . . . . 22.6 mm -114.39 128.97 71.19 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.618 0 CA-C-O 121.256 0.55 . . . . 0.0 111.823 -176.117 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 35.5 t -78.77 167.09 21.7 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-N 115.304 -0.862 . . . . 0.0 110.273 176.979 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 83.1 mttt -60.22 -32.05 70.76 Favored 'General case' 0 C--N 1.322 -0.598 0 CA-C-N 115.654 -0.703 . . . . 0.0 109.972 178.136 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 6.5 m-20 -58.92 -61.74 2.41 Favored 'General case' 0 N--CA 1.463 0.183 0 CA-C-N 115.534 -0.757 . . . . 0.0 110.837 179.197 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -64.22 -37.25 86.81 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 115.661 -0.699 . . . . 0.0 110.951 -177.967 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 39' ' ' TRP . . . . . . . . . . . . . 67.4 t-105 -63.48 -45.9 88.62 Favored 'General case' 0 C--N 1.326 -0.439 0 CA-C-N 116.053 -0.522 . . . . 0.0 110.563 -179.29 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -71.11 -39.86 71.8 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-N 116.402 -0.363 . . . . 0.0 110.756 -179.928 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 1.0 OUTLIER -63.07 -44.77 94.87 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-N 115.967 -0.561 . . . . 0.0 110.768 -178.213 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 42' ' ' TRP . . . . . . . . . . . . . 18.9 t-105 -64.9 -43.31 93.26 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.615 -0.266 . . . . 0.0 110.899 -179.132 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 43' ' ' GLN . . . . . . . . . . . . . 48.1 mt-30 -63.44 -41.81 98.66 Favored 'General case' 0 C--N 1.329 -0.3 0 C-N-CA 121.134 -0.227 . . . . 0.0 110.583 178.977 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 44' ' ' HIS . . . . . . . . . . . . . 20.2 t60 -60.58 -46.25 90.94 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.101 178.226 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -64.86 -48.05 75.71 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-N 115.987 -0.551 . . . . 0.0 110.763 179.621 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 46' ' ' GLN . . . . . 0.574 ' O ' HG13 ' A' ' 50' ' ' ILE . 53.1 tp60 -62.8 -41.43 99.27 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 116.074 -0.512 . . . . 0.0 111.211 -177.679 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 75.0 m -59.45 -40.74 87.83 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 120.677 0.275 . . . . 0.0 110.587 178.203 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 48' ' ' MET . . . . . . . . . . . . . 15.8 tpt -58.94 -46.53 87.76 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.088 175.718 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 10.6 mp -63.95 -36.99 85.78 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 115.839 -0.619 . . . . 0.0 111.067 179.352 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 50' ' ' ILE . . . . . 0.574 HG13 ' O ' ' A' ' 46' ' ' GLN . 79.0 mt -60.93 -36.12 69.72 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.241 0 CA-C-O 120.73 0.3 . . . . 0.0 110.21 177.52 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 51' ' ' ASN . . . . . . . . . . . . . 87.3 m-20 -69.89 -50.93 37.53 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.003 -0.544 . . . . 0.0 110.567 177.747 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 42.5 mt-10 -61.25 -45.58 93.94 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 115.646 -0.706 . . . . 0.0 111.359 -177.419 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 94.0 mttt -82.48 -17.6 44.62 Favored 'General case' 0 C--N 1.325 -0.47 0 CA-C-N 116.081 -0.509 . . . . 0.0 110.836 -177.333 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 26.4 tptp 54.9 59.38 4.1 Favored 'General case' 0 CA--C 1.531 0.244 0 CA-C-O 121.615 0.721 . . . . 0.0 110.219 -178.019 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 84.1 mt -75.71 141.0 42.76 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-N 115.409 -0.814 . . . . 0.0 111.779 -174.051 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 56' ' ' ASN . . . . . . . . . . . . . 23.7 t-20 -99.94 114.4 27.63 Favored 'General case' 0 C--N 1.325 -0.493 0 CA-C-N 115.69 -0.686 . . . . 0.0 110.041 176.549 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 57' ' ' MET . . . . . . . . . . . . . 22.8 mmt -92.63 41.49 1.08 Allowed 'General case' 0 C--N 1.321 -0.659 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.777 -173.577 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 58' ' ' MET . . . . . . . . . . . . . 79.7 mtp -97.96 -39.47 8.95 Favored 'General case' 0 C--N 1.326 -0.455 0 CA-C-O 120.903 0.382 . . . . 0.0 110.245 172.738 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 59' ' ' ASN . . . . . . . . . . . . . 75.9 m-20 -88.16 154.84 20.13 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.779 -177.121 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -75.75 -7.88 55.47 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.278 -0.419 . . . . 0.0 111.127 179.548 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 37.9 mt-10 -54.11 -53.58 51.27 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 115.717 -0.674 . . . . 0.0 110.838 178.837 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 62' ' ' HIS . . . . . . . . . . . . . 95.7 m-70 -79.33 -19.09 51.2 Favored 'General case' 0 C--N 1.326 -0.456 0 CA-C-N 115.747 -0.66 . . . . 0.0 110.455 -177.91 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 63' ' ' ARG . . . . . . . . . . . . . 23.9 tpp180 -66.62 -51.91 51.06 Favored 'General case' 0 C--O 1.235 0.314 0 CA-C-N 116.069 -0.514 . . . . 0.0 110.179 179.104 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 52.3 pttt -69.23 -31.04 69.35 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.055 178.535 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 57.9 tp -57.45 -56.23 24.49 Favored 'General case' 0 N--CA 1.457 -0.119 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.732 178.425 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 10.2 mp -59.98 -33.21 71.65 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 115.988 -0.551 . . . . 0.0 110.986 179.526 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 32.7 tt0 -63.67 -52.33 61.18 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-O 121.026 0.441 . . . . 0.0 110.342 176.908 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 68' ' ' GLN . . . . . 0.599 ' NE2' ' HA ' ' A' ' 82' ' ' ILE . 56.1 mt-30 -61.87 -45.8 92.19 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-N 116.055 -0.52 . . . . 0.0 111.367 -179.975 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 20.7 mt-10 -68.23 -29.33 68.13 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.6 0.238 . . . . 0.0 110.97 -179.287 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 70' ' ' MET . . . . . . . . . . . . . 47.3 ttm -64.52 -51.76 61.25 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 116.483 -0.326 . . . . 0.0 110.243 176.679 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 71' ' ' VAL . . . . . 0.412 ' CG1' ' HB3' ' A' ' 78' ' ' LYS . 58.5 t -63.2 -36.52 76.31 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.375 0 CA-C-N 116.13 -0.487 . . . . 0.0 110.48 -179.943 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 34.8 m -66.42 -53.13 39.17 Favored 'General case' 0 C--N 1.325 -0.474 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.953 178.834 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 73' ' ' PHE . . . . . . . . . . . . . 59.0 t80 -70.51 -47.53 59.99 Favored 'General case' 0 C--N 1.325 -0.478 0 CA-C-N 116.486 -0.324 . . . . 0.0 111.616 -174.303 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 74' ' ' LEU . . . . . . . . . . . . . 70.3 mt -81.93 -33.4 30.39 Favored 'General case' 0 C--N 1.324 -0.54 0 N-CA-C 112.804 0.668 . . . . 0.0 112.804 -172.036 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 75' ' ' PHE . . . . . . . . . . . . . 29.3 m-85 -108.85 -30.12 8.3 Favored 'General case' 0 C--N 1.327 -0.38 0 N-CA-C 112.619 0.6 . . . . 0.0 112.619 -174.443 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 6.6 mm-40 64.06 13.07 7.46 Favored 'General case' 0 N--CA 1.469 0.519 0 CA-C-O 120.883 0.373 . . . . 0.0 111.236 -178.513 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . -132.29 71.43 0.5 Allowed Glycine 0 N--CA 1.449 -0.498 0 C-N-CA 120.797 -0.716 . . . . 0.0 112.319 -176.618 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 78' ' ' LYS . . . . . 0.519 ' HD2' ' O ' ' A' ' 78' ' ' LYS . 0.1 OUTLIER -124.52 152.71 43.1 Favored 'General case' 0 C--N 1.324 -0.503 0 CA-C-O 120.832 0.349 . . . . 0.0 110.962 -179.584 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 79' ' ' ASP . . . . . . . . . . . . . 10.6 m-20 -115.35 -11.69 11.86 Favored 'General case' 0 C--N 1.324 -0.537 0 CA-C-N 116.043 -0.526 . . . . 0.0 110.789 178.587 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 80' ' ' VAL . . . . . . . . . . . . . 13.4 t -78.25 113.61 17.73 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.409 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.132 -179.558 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 81' ' ' HIS . . . . . . . . . . . . . 58.0 t-80 -65.9 122.92 18.45 Favored 'General case' 0 C--N 1.326 -0.439 0 N-CA-C 109.686 -0.487 . . . . 0.0 109.686 178.466 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 82' ' ' ILE . . . . . 0.599 ' HA ' ' NE2' ' A' ' 68' ' ' GLN . 10.0 mt -69.17 107.73 1.56 Allowed 'Isoleucine or valine' 0 C--N 1.322 -0.618 0 N-CA-C 110.013 -0.365 . . . . 0.0 110.013 -178.333 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 5.8 mm-40 62.34 92.08 0.06 Allowed 'General case' 0 C--O 1.231 0.102 0 CA-C-N 115.315 -0.857 . . . . 0.0 110.958 -171.491 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 84' ' ' GLY . . . . . . . . . . . . . . . 169.23 -132.93 2.68 Favored Glycine 0 N--CA 1.446 -0.69 0 CA-C-N 115.134 -0.939 . . . . 0.0 111.632 178.75 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 85' ' ' TYR . . . . . . . . . . . . . 28.1 t80 -67.2 125.35 25.78 Favored 'General case' 0 C--N 1.326 -0.445 0 N-CA-C 109.766 -0.457 . . . . 0.0 109.766 179.105 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 86' ' ' THR . . . . . . . . . . . . . 10.1 t -116.82 146.7 38.37 Favored Pre-proline 0 C--N 1.323 -0.557 0 CA-C-N 116.286 -0.415 . . . . 0.0 111.159 -174.727 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 87' ' ' PRO . . . . . . . . . . . . . 7.5 Cg_exo -73.6 -169.89 0.6 Allowed 'Trans proline' 0 C--N 1.346 0.415 0 C-N-CA 122.676 2.251 . . . . 0.0 111.109 170.924 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 88' ' ' GLU . . . . . . . . . . . . . 20.7 mm-40 65.15 22.33 12.24 Favored 'General case' 0 N--CA 1.468 0.464 0 CA-C-O 121.325 0.583 . . . . 0.0 110.264 -179.844 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 89' ' ' ASP . . . . . . . . . . . . . 22.4 t70 -89.45 -48.57 7.24 Favored 'General case' 0 C--N 1.326 -0.444 0 CA-C-N 115.806 -0.633 . . . . 0.0 111.788 -173.982 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 18.0 ptpt -96.85 21.16 9.95 Favored 'General case' 0 C--N 1.326 -0.446 0 CA-C-O 120.88 0.372 . . . . 0.0 111.283 -176.793 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 91' ' ' LYS . . . . . . . . . . . . . 51.9 pttt . . . . . 0 C--O 1.247 0.952 0 CA-C-N 116.005 -0.543 . . . . 0.0 109.955 176.17 . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 16.5 tpt . . . . . 0 N--CA 1.48 1.044 0 N-CA-C 110.132 -0.322 . . . . 0.0 110.132 . . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 46.9 p -82.7 72.74 9.77 Favored 'General case' 0 C--N 1.325 -0.472 0 CA-C-O 121.169 0.509 . . . . 0.0 111.288 -175.997 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 3' ' ' ARG . . . . . . . . . . . . . 43.2 ttm180 -143.24 105.46 4.41 Favored 'General case' 0 C--N 1.325 -0.471 0 CA-C-N 115.788 -0.642 . . . . 0.0 109.27 174.778 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 5.3 m -80.37 104.69 11.09 Favored 'General case' 0 C--N 1.323 -0.549 0 CA-C-N 115.993 -0.549 . . . . 0.0 111.668 -174.019 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 5' ' ' ILE . . . . . . . . . . . . . 2.8 pp -120.63 159.08 22.56 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.642 0 CA-C-N 116.109 -0.496 . . . . 0.0 109.853 175.472 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 6' ' ' PHE . . . . . . . . . . . . . 96.5 m-85 -98.53 100.93 12.22 Favored 'General case' 0 C--N 1.318 -0.772 0 N-CA-C 109.701 -0.481 . . . . 0.0 109.701 177.302 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 7' ' ' CYS . . . . . 0.704 ' SG ' ' HB2' ' A' ' 10' ' ' LEU . 4.3 p -73.19 136.34 44.7 Favored 'General case' 0 C--N 1.324 -0.54 0 CA-C-N 115.592 -0.731 . . . . 0.0 111.116 -176.206 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 9.5 p -61.52 -35.82 78.81 Favored 'General case' 0 C--N 1.323 -0.549 0 CA-C-N 115.763 -0.653 . . . . 0.0 112.191 -176.368 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 9' ' ' TYR . . . . . . . . . . . . . 71.8 t80 -71.8 -44.36 64.07 Favored 'General case' 0 C--N 1.328 -0.359 0 N-CA-C 111.826 0.306 . . . . 0.0 111.826 -176.145 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 10' ' ' LEU . . . . . 0.704 ' HB2' ' SG ' ' A' ' 7' ' ' CYS . 7.0 mp -88.71 -26.27 21.89 Favored 'General case' 0 N--CA 1.465 0.28 0 C-N-CA 121.059 -0.256 . . . . 0.0 111.313 -176.525 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 29.0 mm-40 68.07 16.77 9.5 Favored 'General case' 0 N--CA 1.465 0.324 0 CA-C-O 121.212 0.529 . . . . 0.0 110.961 -179.268 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 97.5 mtt180 -125.58 172.91 9.33 Favored 'General case' 0 C--N 1.323 -0.549 0 CA-C-N 115.91 -0.586 . . . . 0.0 109.487 179.82 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 4.1 p-10 -78.22 128.92 34.45 Favored 'General case' 0 C--N 1.319 -0.755 0 CA-C-O 121.201 0.524 . . . . 0.0 109.761 175.406 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -148.74 -179.83 7.28 Favored 'General case' 0 C--N 1.315 -0.923 0 CA-C-N 115.582 -0.735 . . . . 0.0 109.81 -178.344 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 17.3 pt-20 -85.75 145.51 27.22 Favored 'General case' 0 C--N 1.316 -0.85 0 CA-C-N 116.525 -0.307 . . . . 0.0 110.5 -177.05 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . -66.6 167.59 37.02 Favored Glycine 0 N--CA 1.448 -0.516 0 C-N-CA 120.777 -0.725 . . . . 0.0 111.609 174.089 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 17' ' ' GLN . . . . . 0.478 ' HA ' ' HG3' ' A' ' 36' ' ' LYS . 30.9 mt-30 -75.49 -111.16 0.01 OUTLIER 'General case' 0 C--N 1.323 -0.582 0 N-CA-C 112.42 0.526 . . . . 0.0 112.42 -177.78 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 3.9 m-20 -136.69 -164.78 1.63 Allowed 'General case' 0 C--N 1.322 -0.609 0 CA-C-O 121.015 0.436 . . . . 0.0 110.766 -170.325 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 19' ' ' PHE . . . . . 0.445 ' O ' ' HG ' ' A' ' 21' ' ' LEU . 38.1 p90 -92.0 175.72 6.77 Favored 'General case' 0 C--N 1.322 -0.614 0 CA-C-N 115.753 -0.658 . . . . 0.0 110.042 176.501 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 14.4 mm100 -72.16 96.01 1.73 Allowed 'General case' 0 C--N 1.325 -0.494 0 CA-C-O 120.963 0.411 . . . . 0.0 110.148 178.448 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 21' ' ' LEU . . . . . 0.445 ' HG ' ' O ' ' A' ' 19' ' ' PHE . 0.7 OUTLIER -116.93 -11.23 10.84 Favored 'General case' 0 C--N 1.325 -0.459 0 CA-C-N 116.013 -0.54 . . . . 0.0 112.346 -176.256 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 22' ' ' TYR . . . . . 0.513 ' HB3' ' HD3' ' A' ' 23' ' ' PRO . 43.2 t80 -153.42 -53.63 0.02 OUTLIER Pre-proline 0 C--N 1.327 -0.402 0 N-CA-C 111.814 0.301 . . . . 0.0 111.814 -177.579 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 23' ' ' PRO . . . . . 0.526 ' HB2' ' HA3' ' A' ' 27' ' ' GLY . 10.2 Cg_endo -89.2 173.65 3.89 Favored 'Trans proline' 0 N--CA 1.453 -0.875 0 C-N-CA 121.922 1.748 . . . . 0.0 112.1 -179.142 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -111.86 -120.76 3.93 Favored Glycine 0 N--CA 1.447 -0.57 0 C-N-CA 120.698 -0.763 . . . . 0.0 112.629 -177.447 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 25' ' ' GLU . . . . . 0.409 ' O ' ' HG2' ' A' ' 28' ' ' LYS . 42.6 mt-10 -63.81 -45.33 90.09 Favored 'General case' 0 C--O 1.236 0.359 0 CA-C-O 120.719 0.295 . . . . 0.0 111.405 -175.279 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 54.5 tp -63.21 -32.18 73.52 Favored 'General case' 0 C--N 1.328 -0.365 0 N-CA-C 109.614 -0.513 . . . . 0.0 109.614 176.673 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 27' ' ' GLY . . . . . 0.526 ' HA3' ' HB2' ' A' ' 23' ' ' PRO . . . -63.25 -56.4 20.39 Favored Glycine 0 N--CA 1.447 -0.575 0 CA-C-N 115.592 -0.731 . . . . 0.0 112.741 179.38 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 28' ' ' LYS . . . . . 0.409 ' HG2' ' O ' ' A' ' 25' ' ' GLU . 21.7 ptmt -58.04 -34.04 69.65 Favored 'General case' 0 C--O 1.238 0.49 0 CA-C-O 120.822 0.344 . . . . 0.0 110.837 -176.661 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 29' ' ' ARG . . . . . 0.556 ' O ' ' HG2' ' A' ' 33' ' ' GLU . 32.8 ttt180 -59.22 -57.94 10.81 Favored 'General case' 0 N--CA 1.452 -0.357 0 CA-C-N 116.349 -0.387 . . . . 0.0 110.014 175.276 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 30' ' ' ILE . . . . . 0.457 ' O ' ' HB ' ' A' ' 34' ' ' ILE . 70.9 mt -59.25 -37.1 67.01 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.407 0 CA-C-O 121.109 0.481 . . . . 0.0 110.661 -179.29 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 31' ' ' TYR . . . . . . . . . . . . . 3.1 m-85 -66.71 -20.81 66.05 Favored 'General case' 0 C--N 1.323 -0.583 0 N-CA-C 112.609 0.596 . . . . 0.0 112.609 -177.092 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 32' ' ' ASN . . . . . . . . . . . . . 6.0 p30 -103.58 -12.46 17.06 Favored 'General case' 0 CA--C 1.534 0.342 0 C-N-CA 119.803 -0.759 . . . . 0.0 112.52 179.546 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 33' ' ' GLU . . . . . 0.556 ' HG2' ' O ' ' A' ' 29' ' ' ARG . 6.8 pt-20 -116.27 -3.72 11.95 Favored 'General case' 0 N--CA 1.468 0.444 0 CA-C-O 121.053 0.454 . . . . 0.0 111.57 178.182 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 34' ' ' ILE . . . . . 0.457 ' HB ' ' O ' ' A' ' 30' ' ' ILE . 12.7 mm -127.83 134.6 65.01 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.578 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.29 175.71 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 16.2 m -85.6 160.23 19.67 Favored 'General case' 0 C--N 1.322 -0.606 0 CA-C-N 116.041 -0.527 . . . . 0.0 110.945 178.938 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 36' ' ' LYS . . . . . 0.478 ' HG3' ' HA ' ' A' ' 17' ' ' GLN . 45.3 mttm -49.71 -43.64 47.71 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-N 115.586 -0.734 . . . . 0.0 111.12 178.52 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 2.4 m-20 -58.49 -53.67 55.68 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 115.465 -0.789 . . . . 0.0 111.385 -178.866 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -62.7 -38.93 92.37 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.034 -0.53 . . . . 0.0 110.973 -177.948 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 39' ' ' TRP . . . . . 0.422 ' O ' ' HG3' ' A' ' 43' ' ' GLN . 76.4 t-105 -64.62 -44.75 89.55 Favored 'General case' 0 C--N 1.326 -0.453 0 CA-C-N 115.854 -0.612 . . . . 0.0 110.293 177.982 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -62.24 -39.68 93.66 Favored 'General case' 0 C--O 1.235 0.325 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.818 178.993 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 41' ' ' GLN . . . . . 0.539 ' HA ' HE21 ' A' ' 41' ' ' GLN . 0.0 OUTLIER -60.4 -45.64 92.83 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 115.939 -0.573 . . . . 0.0 110.568 177.268 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 42' ' ' TRP . . . . . . . . . . . . . 22.5 t-105 -63.71 -43.92 95.15 Favored 'General case' 0 N--CA 1.453 -0.301 0 CA-C-N 116.545 -0.298 . . . . 0.0 110.961 178.971 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 43' ' ' GLN . . . . . 0.422 ' HG3' ' O ' ' A' ' 39' ' ' TRP . 45.9 mt-30 -55.2 -45.64 75.87 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-O 120.793 0.33 . . . . 0.0 111.311 -178.878 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 44' ' ' HIS . . . . . . . . . . . . . 70.9 m-70 -72.29 -34.7 68.34 Favored 'General case' 0 C--N 1.324 -0.5 0 CA-C-N 116.486 -0.324 . . . . 0.0 110.964 -178.703 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 58.7 tptt -62.63 -45.46 92.76 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.832 0.349 . . . . 0.0 110.144 175.88 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 46' ' ' GLN . . . . . . . . . . . . . 23.5 tp60 -64.06 -42.94 96.84 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 116.061 -0.518 . . . . 0.0 110.402 178.407 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 35.4 m -60.1 -46.61 89.03 Favored 'General case' 0 C--O 1.235 0.298 0 CA-C-O 120.981 0.42 . . . . 0.0 110.117 177.812 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 48' ' ' MET . . . . . . . . . . . . . 53.6 tpp -59.64 -42.7 93.35 Favored 'General case' 0 C--N 1.332 -0.183 0 CA-C-N 115.741 -0.663 . . . . 0.0 110.39 177.102 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 49' ' ' LEU . . . . . 0.411 ' HG ' ' HE2' ' A' ' 53' ' ' LYS . 7.7 tp -64.42 -41.6 96.52 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 115.736 -0.666 . . . . 0.0 110.829 -178.192 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 50' ' ' ILE . . . . . . . . . . . . . 78.6 mt -61.58 -46.58 96.27 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.442 176.921 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 51' ' ' ASN . . . . . . . . . . . . . 57.0 t30 -71.01 -23.97 62.28 Favored 'General case' 0 C--N 1.326 -0.454 0 CA-C-N 115.637 -0.711 . . . . 0.0 110.314 -179.023 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 25.5 tt0 -75.56 -65.26 0.92 Allowed 'General case' 0 C--N 1.324 -0.528 0 CA-C-N 115.454 -0.794 . . . . 0.0 110.954 -179.384 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 53' ' ' LYS . . . . . 0.411 ' HE2' ' HG ' ' A' ' 49' ' ' LEU . 52.4 mttm -82.4 -16.45 49.02 Favored 'General case' 0 C--N 1.326 -0.455 0 CA-C-N 115.652 -0.704 . . . . 0.0 111.123 -172.253 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 75.6 mmtt 61.14 80.89 0.2 Allowed 'General case' 0 C--O 1.233 0.192 0 O-C-N 123.857 0.723 . . . . 0.0 111.411 -179.802 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 4.0 pp -107.1 151.24 25.64 Favored 'General case' 0 C--N 1.323 -0.579 0 CA-C-N 115.749 -0.659 . . . . 0.0 109.83 176.613 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 56' ' ' ASN . . . . . . . . . . . . . 27.6 p-10 -101.2 147.25 26.48 Favored 'General case' 0 C--N 1.323 -0.549 0 N-CA-C 109.288 -0.634 . . . . 0.0 109.288 177.762 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 57' ' ' MET . . . . . . . . . . . . . 18.6 mtp -106.57 5.36 29.02 Favored 'General case' 0 C--N 1.32 -0.717 0 C-N-CA 120.628 -0.429 . . . . 0.0 111.882 -169.774 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 58' ' ' MET . . . . . . . . . . . . . 15.6 ptp -85.41 -17.11 37.6 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-O 120.82 0.343 . . . . 0.0 110.199 174.229 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 59' ' ' ASN . . . . . 0.45 ' HB3' ' OE1' ' A' ' 61' ' ' GLU . 6.4 m-20 -85.89 -177.61 6.38 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 115.996 -0.547 . . . . 0.0 110.45 178.719 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -92.15 -31.99 15.28 Favored 'General case' 0 C--N 1.323 -0.561 0 CA-C-O 120.767 0.318 . . . . 0.0 110.965 -179.088 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 61' ' ' GLU . . . . . 0.45 ' OE1' ' HB3' ' A' ' 59' ' ' ASN . 1.9 mp0 -47.52 -41.59 21.44 Favored 'General case' 0 N--CA 1.466 0.341 0 C-N-CA 123.756 0.822 . . . . 0.0 113.115 -172.763 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 62' ' ' HIS . . . . . . . . . . . . . 15.7 p80 -63.08 -24.92 68.13 Favored 'General case' 0 C--N 1.331 -0.228 0 N-CA-C 111.719 0.266 . . . . 0.0 111.719 -175.79 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 63' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -69.94 -56.95 5.69 Favored 'General case' 0 CA--C 1.519 -0.22 0 C-N-CA 121.048 -0.261 . . . . 0.0 110.771 -175.366 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 64' ' ' LYS . . . . . 0.425 ' O ' ' HG3' ' A' ' 68' ' ' GLN . 65.9 pttt -66.7 -36.96 83.75 Favored 'General case' 0 C--N 1.327 -0.394 0 C-N-CA 120.638 -0.425 . . . . 0.0 110.365 -179.275 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 53.7 tp -59.16 -49.65 77.04 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.534 -0.303 . . . . 0.0 110.519 179.208 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 10.4 tt -64.16 -43.74 94.25 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.137 179.657 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 34.8 tt0 -62.21 -41.79 98.7 Favored 'General case' 0 C--O 1.235 0.341 0 CA-C-O 120.886 0.375 . . . . 0.0 110.951 -178.465 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 68' ' ' GLN . . . . . 0.502 ' HA ' ' HE2' ' A' ' 78' ' ' LYS . 55.9 mt-30 -61.79 -57.16 12.96 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 115.99 -0.55 . . . . 0.0 110.756 178.801 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 8.2 mm-40 -63.15 -39.72 95.48 Favored 'General case' 0 C--N 1.325 -0.484 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.708 -177.42 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 70' ' ' MET . . . . . . . . . . . . . 58.8 ttp -59.18 -58.16 9.84 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-O 120.874 0.369 . . . . 0.0 111.443 -178.659 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 71' ' ' VAL . . . . . . . . . . . . . 46.8 t -66.73 -29.53 46.72 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 CA-C-O 120.919 0.39 . . . . 0.0 110.899 -175.431 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 10.2 t -76.26 -40.82 50.89 Favored 'General case' 0 C--N 1.325 -0.481 0 CA-C-O 120.791 0.329 . . . . 0.0 110.729 -179.693 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 73' ' ' PHE . . . . . . . . . . . . . 69.2 t80 -70.64 -39.9 73.4 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-O 120.905 0.383 . . . . 0.0 110.95 -178.682 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 74' ' ' LEU . . . . . . . . . . . . . 96.3 mt -86.67 -46.34 10.16 Favored 'General case' 0 C--N 1.325 -0.484 0 CA-C-N 116.026 -0.534 . . . . 0.0 112.276 -174.676 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 75' ' ' PHE . . . . . . . . . . . . . 49.6 t80 -98.19 -30.18 12.79 Favored 'General case' 0 C--N 1.328 -0.356 0 C-N-CA 120.903 -0.319 . . . . 0.0 111.79 -173.705 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 6.2 mm-40 60.18 32.23 20.8 Favored 'General case' 0 N--CA 1.469 0.501 0 CA-C-O 121.154 0.502 . . . . 0.0 111.196 -177.485 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . -153.79 84.1 0.15 Allowed Glycine 0 N--CA 1.448 -0.521 0 C-N-CA 120.882 -0.675 . . . . 0.0 112.07 179.376 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 78' ' ' LYS . . . . . 0.502 ' HE2' ' HA ' ' A' ' 68' ' ' GLN . 26.5 mtpp -112.26 174.26 5.97 Favored 'General case' 0 C--N 1.321 -0.633 0 CA-C-O 121.431 0.634 . . . . 0.0 112.029 179.641 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 79' ' ' ASP . . . . . . . . . . . . . 2.4 m-20 -106.37 -40.75 5.5 Favored 'General case' 0 C--N 1.322 -0.598 0 CA-C-N 114.987 -1.006 . . . . 0.0 108.289 172.371 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 80' ' ' VAL . . . . . . . . . . . . . 36.4 t -76.22 115.79 18.33 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.383 0 CA-C-N 114.852 -1.067 . . . . 0.0 110.653 179.478 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 81' ' ' HIS . . . . . . . . . . . . . 4.9 m170 -63.91 148.52 49.29 Favored 'General case' 0 C--N 1.326 -0.456 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.24 174.312 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 82' ' ' ILE . . . . . 0.436 HG12 ' HB3' ' A' ' 68' ' ' GLN . 11.2 mt -102.37 87.05 1.14 Allowed 'Isoleucine or valine' 0 C--N 1.32 -0.674 0 N-CA-C 109.462 -0.57 . . . . 0.0 109.462 175.669 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 44.0 mt-10 -144.58 -31.49 0.43 Allowed 'General case' 0 C--N 1.326 -0.426 0 CA-C-N 115.65 -0.704 . . . . 0.0 110.285 -178.078 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 84' ' ' GLY . . . . . . . . . . . . . . . 117.49 -42.66 1.79 Allowed Glycine 0 N--CA 1.446 -0.672 0 N-CA-C 110.983 -0.847 . . . . 0.0 110.983 -177.818 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 85' ' ' TYR . . . . . . . . . . . . . 37.6 p90 -155.59 152.79 29.18 Favored 'General case' 0 C--N 1.325 -0.496 0 N-CA-C 109.669 -0.493 . . . . 0.0 109.669 178.967 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 86' ' ' THR . . . . . 0.401 ' HA ' ' HD3' ' A' ' 87' ' ' PRO . 5.0 t -136.49 132.24 18.69 Favored Pre-proline 0 C--N 1.323 -0.577 0 CA-C-O 120.615 0.245 . . . . 0.0 110.721 177.311 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 87' ' ' PRO . . . . . 0.401 ' HD3' ' HA ' ' A' ' 86' ' ' THR . 15.7 Cg_exo -68.99 -178.18 1.94 Allowed 'Trans proline' 0 C--O 1.236 0.379 0 C-N-CA 122.641 2.227 . . . . 0.0 111.781 174.592 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 88' ' ' GLU . . . . . . . . . . . . . 55.5 mm-40 62.51 77.8 0.32 Allowed 'General case' 0 C--N 1.331 -0.215 0 CA-C-O 121.502 0.668 . . . . 0.0 111.583 -178.474 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 89' ' ' ASP . . . . . . . . . . . . . 6.7 m-20 -100.86 128.89 46.71 Favored 'General case' 0 C--N 1.323 -0.544 0 CA-C-N 115.635 -0.711 . . . . 0.0 110.034 175.378 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 18.1 ptpt -101.58 146.04 28.22 Favored 'General case' 0 C--N 1.321 -0.655 0 CA-C-N 116.244 -0.434 . . . . 0.0 109.952 177.482 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 91' ' ' LYS . . . . . . . . . . . . . 30.8 mmmt . . . . . 0 C--O 1.25 1.116 0 CA-C-O 118.58 -0.724 . . . . 0.0 110.114 -179.297 . . . . . . . . 0 0 . 1 . 011 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 70.5 mtm . . . . . 0 N--CA 1.479 1.004 0 CA-C-O 120.738 0.304 . . . . 0.0 110.552 . . . . . . . . . 0 0 . 1 . 011 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 24.8 m -84.27 93.96 8.33 Favored 'General case' 0 N--CA 1.448 -0.536 0 CA-C-O 120.992 0.425 . . . . 0.0 110.453 -179.73 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 3' ' ' ARG . . . . . 0.419 ' HD2' ' HA3' ' A' ' 16' ' ' GLY . 38.0 ttm180 -81.23 112.71 18.81 Favored 'General case' 0 C--N 1.324 -0.502 0 CA-C-N 115.925 -0.579 . . . . 0.0 109.979 -179.205 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 20.2 p -109.22 129.87 55.49 Favored 'General case' 0 C--N 1.321 -0.657 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.243 -179.379 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 5' ' ' ILE . . . . . . . . . . . . . 2.8 pp -128.13 173.98 12.37 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.45 0 CA-C-N 115.898 -0.592 . . . . 0.0 109.919 175.867 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 6' ' ' PHE . . . . . . . . . . . . . 56.8 m-85 -97.84 102.61 14.41 Favored 'General case' 0 C--N 1.322 -0.598 0 CA-C-O 120.899 0.38 . . . . 0.0 110.189 176.057 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 7' ' ' CYS . . . . . 0.558 ' HA ' ' O ' ' A' ' 33' ' ' GLU . 47.5 t -75.69 129.6 37.37 Favored 'General case' 0 C--N 1.322 -0.615 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.304 -178.482 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 3.5 p -60.49 -46.45 90.05 Favored 'General case' 0 C--N 1.324 -0.535 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.852 -177.476 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 9' ' ' TYR . . . . . . . . . . . . . 75.8 t80 -70.45 -20.08 62.92 Favored 'General case' 0 C--N 1.325 -0.465 0 CA-C-N 115.952 -0.567 . . . . 0.0 111.394 -175.983 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 83.0 mt -105.66 -29.36 10.15 Favored 'General case' 0 C--N 1.326 -0.453 0 C-N-CA 121.091 -0.244 . . . . 0.0 111.553 -176.254 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 31.9 mm-40 65.6 22.45 11.71 Favored 'General case' 0 N--CA 1.469 0.507 0 CA-C-O 121.146 0.498 . . . . 0.0 110.67 -178.76 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 30.9 mtp180 -141.25 -179.74 6.29 Favored 'General case' 0 C--N 1.326 -0.439 0 CA-C-N 115.989 -0.551 . . . . 0.0 110.771 -176.219 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 5.3 m-20 -70.33 125.48 26.9 Favored 'General case' 0 C--O 1.235 0.329 0 CA-C-N 115.931 -0.577 . . . . 0.0 110.345 176.68 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -137.78 175.67 9.39 Favored 'General case' 0 C--N 1.322 -0.591 0 CA-C-N 116.11 -0.496 . . . . 0.0 110.635 179.511 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 31.5 tt0 -75.51 143.52 42.47 Favored 'General case' 0 C--N 1.326 -0.43 0 N-CA-C 110.036 -0.357 . . . . 0.0 110.036 -178.266 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 16' ' ' GLY . . . . . 0.419 ' HA3' ' HD2' ' A' ' 3' ' ' ARG . . . -83.32 37.7 2.74 Favored Glycine 0 CA--C 1.518 0.253 0 CA-C-N 116.115 -0.493 . . . . 0.0 113.837 -175.995 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 17' ' ' GLN . . . . . . . . . . . . . 2.3 mm-40 58.33 -166.12 0.16 Allowed 'General case' 0 C--N 1.329 -0.303 0 N-CA-C 114.767 1.395 . . . . 0.0 114.767 169.348 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 1.2 t70 -91.27 -153.62 0.33 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 114.447 -1.252 . . . . 0.0 110.949 -172.949 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 77.3 m-85 -119.78 179.07 4.35 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.026 -178.987 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 19.0 mm-40 -78.86 89.32 4.68 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-O 121.12 0.486 . . . . 0.0 110.228 177.782 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -109.99 -17.22 13.65 Favored 'General case' 0 C--N 1.324 -0.539 0 CA-C-N 115.689 -0.687 . . . . 0.0 111.922 -178.64 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 22' ' ' TYR . . . . . 0.519 ' HB3' ' HD3' ' A' ' 23' ' ' PRO . 67.2 t80 -156.99 -50.83 0.01 OUTLIER Pre-proline 0 C--N 1.325 -0.461 0 N-CA-C 111.767 0.284 . . . . 0.0 111.767 -176.724 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 23' ' ' PRO . . . . . 0.519 ' HD3' ' HB3' ' A' ' 22' ' ' TYR . 5.3 Cg_exo -79.2 154.61 25.19 Favored 'Trans proline' 0 C--N 1.354 0.862 0 C-N-CA 121.883 1.722 . . . . 0.0 111.593 178.199 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -97.94 -133.58 7.99 Favored Glycine 0 N--CA 1.451 -0.339 0 C-N-CA 120.525 -0.845 . . . . 0.0 112.307 179.391 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 39.7 mm-40 -63.52 -26.98 68.96 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.602 0.239 . . . . 0.0 111.25 -177.487 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 26' ' ' LEU . . . . . 0.503 ' O ' HG12 ' A' ' 30' ' ' ILE . 58.9 tp -63.71 -50.98 67.01 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-O 120.947 0.404 . . . . 0.0 110.182 178.033 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . -64.99 -37.47 94.31 Favored Glycine 0 N--CA 1.449 -0.463 0 C-N-CA 120.839 -0.696 . . . . 0.0 111.466 177.875 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 72.0 tttt -58.76 -45.76 89.01 Favored 'General case' 0 C--N 1.322 -0.612 0 C-N-CA 122.719 0.408 . . . . 0.0 110.774 176.365 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 73.6 ttt180 -56.7 -40.81 76.27 Favored 'General case' 0 N--CA 1.463 0.189 0 CA-C-N 116.025 -0.534 . . . . 0.0 110.359 176.804 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 30' ' ' ILE . . . . . 0.503 HG12 ' O ' ' A' ' 26' ' ' LEU . 44.9 mm -69.02 -47.97 72.43 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.358 0 CA-C-N 115.767 -0.651 . . . . 0.0 111.19 179.597 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 31' ' ' TYR . . . . . . . . . . . . . 21.5 m-30 -61.67 -25.48 67.42 Favored 'General case' 0 N--CA 1.466 0.359 0 N-CA-C 112.617 0.599 . . . . 0.0 112.617 -172.879 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 32' ' ' ASN . . . . . . . . . . . . . 25.7 m-80 -72.43 -28.53 63.01 Favored 'General case' 0 C--N 1.323 -0.564 0 C-N-CA 120.893 -0.323 . . . . 0.0 111.439 177.671 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 33' ' ' GLU . . . . . 0.558 ' O ' ' HA ' ' A' ' 7' ' ' CYS . 15.2 mm-40 -109.11 -22.2 12.24 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-O 120.826 0.346 . . . . 0.0 111.76 -173.864 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 34' ' ' ILE . . . . . 0.477 HD11 ' O ' ' A' ' 74' ' ' LEU . 26.0 mm -118.28 132.95 66.63 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.67 0 CA-C-O 120.751 0.31 . . . . 0.0 111.342 -176.434 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 4.4 t -90.42 -178.53 5.37 Favored 'General case' 0 N--CA 1.449 -0.479 0 CA-C-N 116.007 -0.542 . . . . 0.0 110.061 179.585 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 61.6 mttm -69.86 -42.36 73.64 Favored 'General case' 0 C--N 1.327 -0.405 0 N-CA-C 112.235 0.457 . . . . 0.0 112.235 -174.564 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 31.6 t70 -62.87 -45.61 91.76 Favored 'General case' 0 C--N 1.329 -0.302 0 C-N-CA 120.646 -0.422 . . . . 0.0 110.826 -178.439 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -65.86 -39.85 91.13 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-N 116.268 -0.424 . . . . 0.0 110.657 178.465 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 39' ' ' TRP . . . . . 0.496 ' CZ3' HG22 ' A' ' 30' ' ' ILE . 63.8 t-105 -62.64 -50.87 69.51 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-N 115.897 -0.592 . . . . 0.0 110.379 178.576 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -66.14 -31.77 72.83 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 115.809 -0.632 . . . . 0.0 110.601 -179.867 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 32.2 tt0 -63.03 -43.95 97.26 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 115.973 -0.558 . . . . 0.0 110.17 178.199 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 42' ' ' TRP . . . . . . . . . . . . . 42.8 t-105 -67.24 -41.81 85.02 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.071 -0.513 . . . . 0.0 110.634 177.438 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 43' ' ' GLN . . . . . 0.484 ' HG3' ' O ' ' A' ' 39' ' ' TRP . 47.8 mt-30 -60.12 -43.82 95.34 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 121.032 0.444 . . . . 0.0 110.315 178.004 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 44' ' ' HIS . . . . . . . . . . . . . 32.3 t60 -61.52 -43.69 98.41 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-N 115.755 -0.657 . . . . 0.0 110.227 177.786 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 45' ' ' LYS . . . . . 0.61 ' O ' ' HG ' ' A' ' 49' ' ' LEU . 5.7 tmtt? -63.48 -44.97 92.86 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 115.689 -0.687 . . . . 0.0 110.117 179.718 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 46' ' ' GLN . . . . . 0.449 ' O ' HG13 ' A' ' 50' ' ' ILE . 58.6 tp60 -65.81 -35.43 80.66 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.013 -0.539 . . . . 0.0 111.148 -179.694 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 49.1 m -57.32 -44.54 84.28 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 121.137 0.494 . . . . 0.0 109.689 176.645 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 48' ' ' MET . . . . . . . . . . . . . 26.2 ttt -62.65 -45.72 91.54 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 115.382 -0.826 . . . . 0.0 110.326 175.973 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 49' ' ' LEU . . . . . 0.61 ' HG ' ' O ' ' A' ' 45' ' ' LYS . 85.7 mt -59.39 -44.28 92.82 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 115.998 -0.547 . . . . 0.0 111.799 -178.499 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 50' ' ' ILE . . . . . 0.449 HG13 ' O ' ' A' ' 46' ' ' GLN . 77.2 mt -61.55 -42.73 95.16 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.248 0 CA-C-O 121.082 0.467 . . . . 0.0 110.632 178.61 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 51' ' ' ASN . . . . . . . . . . . . . 30.5 t30 -66.29 -40.38 90.01 Favored 'General case' 0 C--N 1.323 -0.553 0 CA-C-N 115.592 -0.731 . . . . 0.0 110.963 -177.732 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 19.2 mm-40 -75.86 -41.64 51.72 Favored 'General case' 0 C--N 1.324 -0.516 0 CA-C-N 116.188 -0.46 . . . . 0.0 112.185 -176.0 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 33.6 mtmm -93.51 -13.69 27.53 Favored 'General case' 0 C--N 1.327 -0.381 0 N-CA-C 112.361 0.504 . . . . 0.0 112.361 -174.409 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 60.6 mttp 53.55 79.58 0.12 Allowed 'General case' 0 N--CA 1.465 0.315 0 CA-C-O 121.072 0.463 . . . . 0.0 111.04 -175.627 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 55' ' ' LEU . . . . . 0.426 ' HB2' ' CG ' ' A' ' 62' ' ' HIS . 4.5 pp -119.48 144.05 47.21 Favored 'General case' 0 C--N 1.32 -0.675 0 CA-C-O 120.996 0.426 . . . . 0.0 111.29 -178.939 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 56' ' ' ASN . . . . . . . . . . . . . 13.9 m120 -84.96 135.38 34.06 Favored 'General case' 0 C--N 1.325 -0.486 0 CA-C-N 116.004 -0.543 . . . . 0.0 110.096 176.078 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 57' ' ' MET . . . . . . . . . . . . . 0.5 OUTLIER -83.06 -19.43 36.87 Favored 'General case' 0 C--N 1.322 -0.612 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.77 -176.176 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 58' ' ' MET . . . . . . . . . . . . . 3.7 mpp? -73.87 -34.67 64.55 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-O 121.06 0.457 . . . . 0.0 110.598 -179.246 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 59' ' ' ASN . . . . . . . . . . . . . 2.1 m-20 -65.43 128.56 36.39 Favored 'General case' 0 C--N 1.326 -0.445 0 CA-C-N 115.656 -0.702 . . . . 0.0 110.9 -177.32 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 60' ' ' ALA . . . . . 0.482 ' O ' ' HG2' ' A' ' 64' ' ' LYS . . . -60.15 -24.38 64.67 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 115.814 -0.63 . . . . 0.0 110.277 178.174 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 28.3 mt-10 -48.95 -63.65 1.03 Allowed 'General case' 0 C--O 1.233 0.224 0 CA-C-N 115.43 -0.804 . . . . 0.0 110.671 174.862 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 62' ' ' HIS . . . . . 0.426 ' CG ' ' HB2' ' A' ' 55' ' ' LEU . 71.3 m-70 -81.15 -18.39 46.49 Favored 'General case' 0 C--N 1.326 -0.446 0 CA-C-N 115.328 -0.851 . . . . 0.0 110.424 -174.511 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 63' ' ' ARG . . . . . . . . . . . . . 6.8 tpp180 -64.98 -50.12 67.57 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.102 177.633 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 64' ' ' LYS . . . . . 0.482 ' HG2' ' O ' ' A' ' 60' ' ' ALA . 20.1 pttm -72.67 -27.21 61.96 Favored 'General case' 0 C--N 1.333 -0.147 0 C-N-CA 120.738 -0.385 . . . . 0.0 110.694 178.233 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 68.7 tp -59.49 -52.75 64.23 Favored 'General case' 0 C--O 1.233 0.19 0 N-CA-C 109.878 -0.416 . . . . 0.0 109.878 173.66 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 47.7 tp -58.5 -43.93 89.26 Favored 'General case' 0 N--CA 1.455 -0.209 0 CA-C-N 115.805 -0.634 . . . . 0.0 110.934 177.644 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 67' ' ' GLU . . . . . 0.491 ' O ' HG21 ' A' ' 71' ' ' VAL . 39.7 tt0 -59.32 -52.65 64.75 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.943 -179.062 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 68' ' ' GLN . . . . . 0.455 ' HB3' ' CD1' ' A' ' 82' ' ' ILE . 43.4 mt-30 -57.98 -50.45 73.36 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.076 -0.511 . . . . 0.0 111.707 -179.216 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 8.5 mm-40 -64.83 -33.92 77.14 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.141 -0.482 . . . . 0.0 111.122 -179.316 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 70' ' ' MET . . . . . . . . . . . . . 50.3 ttm -63.34 -51.23 66.79 Favored 'General case' 0 C--N 1.326 -0.444 0 CA-C-O 120.912 0.387 . . . . 0.0 110.687 178.652 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 71' ' ' VAL . . . . . 0.491 HG21 ' O ' ' A' ' 67' ' ' GLU . 10.8 t -73.03 -10.01 13.54 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.398 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.444 -177.85 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 72' ' ' SER . . . . . 0.478 ' O ' ' HG2' ' A' ' 76' ' ' GLU . 63.6 m -90.51 -63.89 1.21 Allowed 'General case' 0 C--N 1.326 -0.439 0 CA-C-N 116.622 -0.263 . . . . 0.0 111.336 174.608 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 73' ' ' PHE . . . . . . . . . . . . . 81.0 t80 -58.76 -36.69 74.78 Favored 'General case' 0 N--CA 1.464 0.231 0 CA-C-O 120.713 0.292 . . . . 0.0 111.701 -173.824 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 74' ' ' LEU . . . . . 0.477 ' O ' HD11 ' A' ' 34' ' ' ILE . 80.8 mt -97.79 -43.68 7.04 Favored 'General case' 0 C--N 1.322 -0.609 0 N-CA-C 112.21 0.448 . . . . 0.0 112.21 -174.918 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 75' ' ' PHE . . . . . 0.539 ' CZ ' ' HG3' ' A' ' 33' ' ' GLU . 2.8 t80 -99.49 -44.76 6.05 Favored 'General case' 0 C--N 1.322 -0.63 0 CA-C-N 116.287 -0.415 . . . . 0.0 111.985 -167.97 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 76' ' ' GLU . . . . . 0.621 ' OE1' ' HA ' ' A' ' 76' ' ' GLU . 2.7 mm-40 54.5 20.35 2.78 Favored 'General case' 0 N--CA 1.47 0.546 0 C-N-CA 123.546 0.739 . . . . 0.0 112.441 -172.765 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . -118.06 38.77 2.81 Favored Glycine 0 N--CA 1.446 -0.676 0 N-CA-C 109.947 -1.261 . . . . 0.0 109.947 172.816 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 11.9 pttm -70.07 124.63 24.57 Favored 'General case' 0 C--N 1.324 -0.508 0 CA-C-N 114.711 -0.745 . . . . 0.0 111.953 -175.172 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 79' ' ' ASP . . . . . . . . . . . . . 6.3 p-10 -84.35 -17.89 37.99 Favored 'General case' 0 C--N 1.319 -0.749 0 CA-C-N 114.924 -1.035 . . . . 0.0 109.862 174.845 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 80' ' ' VAL . . . . . . . . . . . . . 40.9 t -89.78 118.83 35.84 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.45 0 CA-C-N 115.479 -0.782 . . . . 0.0 109.481 174.654 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 81' ' ' HIS . . . . . . . . . . . . . 73.5 m80 -83.48 130.75 35.03 Favored 'General case' 0 C--N 1.32 -0.677 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.319 -177.786 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 82' ' ' ILE . . . . . 0.455 ' CD1' ' HB3' ' A' ' 68' ' ' GLN . 42.5 mt -99.98 111.49 29.77 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 CA-C-N 115.929 -0.578 . . . . 0.0 111.216 -175.116 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 37.9 tt0 -154.6 -61.66 0.12 Allowed 'General case' 0 C--N 1.323 -0.587 0 CA-C-N 115.912 -0.586 . . . . 0.0 109.591 174.831 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 84' ' ' GLY . . . . . . . . . . . . . . . -154.29 -131.4 1.52 Allowed Glycine 0 N--CA 1.447 -0.6 0 CA-C-N 115.683 -0.69 . . . . 0.0 111.693 178.989 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 85' ' ' TYR . . . . . . . . . . . . . 87.1 t80 -137.7 114.81 10.85 Favored 'General case' 0 C--N 1.319 -0.735 0 N-CA-C 109.849 -0.426 . . . . 0.0 109.849 177.986 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 86' ' ' THR . . . . . . . . . . . . . 8.4 t -99.64 116.46 64.83 Favored Pre-proline 0 C--N 1.323 -0.582 0 CA-C-N 116.343 -0.389 . . . . 0.0 110.747 -179.068 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 87' ' ' PRO . . . . . . . . . . . . . 7.2 Cg_exo -73.03 -67.73 0.02 OUTLIER 'Trans proline' 0 C--N 1.348 0.515 0 C-N-CA 122.565 2.176 . . . . 0.0 112.168 177.181 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 88' ' ' GLU . . . . . . . . . . . . . 41.2 mt-10 61.87 14.18 6.1 Favored 'General case' 0 N--CA 1.47 0.553 0 CA-C-N 115.929 -0.578 . . . . 0.0 111.723 -179.058 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 89' ' ' ASP . . . . . . . . . . . . . 38.1 t0 -107.46 145.55 32.89 Favored 'General case' 0 C--N 1.323 -0.567 0 CA-C-N 115.945 -0.57 . . . . 0.0 109.49 179.031 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 22.7 pttm -121.43 17.93 11.36 Favored 'General case' 0 C--N 1.321 -0.665 0 CA-C-O 121.049 0.452 . . . . 0.0 110.768 -176.397 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 91' ' ' LYS . . . . . . . . . . . . . 55.4 mtpt . . . . . 0 C--O 1.249 1.078 0 CA-C-O 118.27 -0.871 . . . . 0.0 109.97 176.512 . . . . . . . . 0 0 . 1 . 012 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 20.5 mmt . . . . . 0 N--CA 1.482 1.146 0 N-CA-C 110.496 -0.187 . . . . 0.0 110.496 . . . . . . . . . 0 0 . 1 . 012 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 24.3 m -70.01 151.69 45.27 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.255 -0.43 . . . . 0.0 111.108 178.91 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 3' ' ' ARG . . . . . 0.423 ' O ' ' HA ' ' A' ' 15' ' ' GLU . 30.9 tpt180 -133.13 96.85 3.85 Favored 'General case' 0 C--N 1.324 -0.507 0 N-CA-C 109.798 -0.445 . . . . 0.0 109.798 175.769 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 58.5 m -81.3 109.99 16.33 Favored 'General case' 0 C--N 1.323 -0.585 0 CA-C-O 121.094 0.473 . . . . 0.0 111.338 -179.017 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 5' ' ' ILE . . . . . . . . . . . . . 2.8 pp -126.21 162.03 30.8 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.564 0 CA-C-N 115.545 -0.752 . . . . 0.0 109.682 175.641 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 6' ' ' PHE . . . . . . . . . . . . . 86.9 m-85 -93.99 113.22 25.17 Favored 'General case' 0 C--N 1.32 -0.691 0 N-CA-C 109.77 -0.456 . . . . 0.0 109.77 175.121 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 7' ' ' CYS . . . . . 0.421 ' HA ' ' O ' ' A' ' 33' ' ' GLU . 42.7 t -78.67 137.23 37.71 Favored 'General case' 0 C--N 1.322 -0.601 0 CA-C-N 115.687 -0.688 . . . . 0.0 110.558 -175.88 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 3.0 p -60.08 -56.84 16.69 Favored 'General case' 0 C--N 1.324 -0.523 0 CA-C-N 115.8 -0.636 . . . . 0.0 112.427 -177.351 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 9' ' ' TYR . . . . . . . . . . . . . 46.0 t80 -73.55 -34.54 65.24 Favored 'General case' 0 C--N 1.324 -0.509 0 CA-C-O 120.631 0.253 . . . . 0.0 111.319 -173.963 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 10' ' ' LEU . . . . . 0.408 ' HB2' ' HB3' ' A' ' 7' ' ' CYS . 85.9 mt -80.26 -26.94 38.74 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-O 120.543 0.211 . . . . 0.0 110.953 -178.763 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 26.4 mm-40 63.9 19.65 11.84 Favored 'General case' 0 N--CA 1.466 0.364 0 CA-C-N 116.029 -0.532 . . . . 0.0 111.84 178.047 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 72.2 mtp180 -137.05 179.79 6.17 Favored 'General case' 0 C--N 1.325 -0.483 0 CA-C-N 116.164 -0.471 . . . . 0.0 109.871 178.133 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 6.0 p-10 -79.27 140.0 37.73 Favored 'General case' 0 C--N 1.325 -0.5 0 CA-C-O 121.022 0.439 . . . . 0.0 110.105 178.969 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -156.58 179.02 9.67 Favored 'General case' 0 C--N 1.321 -0.661 0 CA-C-N 115.652 -0.704 . . . . 0.0 109.792 -179.967 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 15' ' ' GLU . . . . . 0.423 ' HA ' ' O ' ' A' ' 3' ' ' ARG . 44.4 tt0 -81.39 134.69 35.6 Favored 'General case' 0 C--N 1.325 -0.458 0 CA-C-N 116.502 -0.317 . . . . 0.0 110.267 -179.831 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . -77.06 63.21 3.25 Favored Glycine 0 C--N 1.33 0.215 0 CA-C-N 116.226 -0.443 . . . . 0.0 113.125 -178.171 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 17' ' ' GLN . . . . . 0.626 ' O ' ' HE2' ' A' ' 36' ' ' LYS . 26.8 mt-30 47.14 -111.05 0.34 Allowed 'General case' 0 C--N 1.329 -0.286 0 N-CA-C 113.666 0.988 . . . . 0.0 113.666 176.489 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 1.5 t70 -148.73 -166.03 2.44 Favored 'General case' 0 C--N 1.326 -0.425 0 N-CA-C 109.743 -0.466 . . . . 0.0 109.743 -170.258 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 43.7 p90 -91.98 168.24 11.54 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-O 121.027 0.441 . . . . 0.0 111.075 179.81 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 16.0 mm100 -76.56 101.05 5.51 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 116.006 -0.543 . . . . 0.0 110.729 179.731 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 21' ' ' LEU . . . . . 0.506 HD21 ' H ' ' A' ' 21' ' ' LEU . 2.7 pt? -90.0 -12.4 38.74 Favored 'General case' 0 C--N 1.325 -0.483 0 CA-C-N 115.997 -0.547 . . . . 0.0 111.457 -178.927 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 22' ' ' TYR . . . . . 0.434 ' HB3' ' HD3' ' A' ' 23' ' ' PRO . 55.4 t80 -160.93 -55.45 0.01 OUTLIER Pre-proline 0 CA--C 1.539 0.546 0 N-CA-C 112.798 0.666 . . . . 0.0 112.798 -177.236 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 23' ' ' PRO . . . . . 0.434 ' HD3' ' HB3' ' A' ' 22' ' ' TYR . 4.0 Cg_exo -73.97 176.28 9.69 Favored 'Trans proline' 0 C--N 1.355 0.905 0 C-N-CA 121.921 1.747 . . . . 0.0 113.492 -170.902 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -118.72 -109.77 2.4 Favored Glycine 0 N--CA 1.448 -0.53 0 CA-C-N 115.736 -0.666 . . . . 0.0 112.307 179.499 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -62.17 -39.53 92.98 Favored 'General case' 0 N--CA 1.464 0.232 0 CA-C-O 120.559 0.218 . . . . 0.0 111.513 -175.81 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 60.1 tp -68.46 -40.46 81.04 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 121.012 0.435 . . . . 0.0 109.858 -179.128 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . -60.2 -55.53 29.67 Favored Glycine 0 N--CA 1.445 -0.709 0 CA-C-N 115.602 -0.726 . . . . 0.0 111.811 178.397 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 55.2 mtpt -61.55 -36.19 79.91 Favored 'General case' 0 C--N 1.325 -0.497 0 C-N-CA 121.245 -0.182 . . . . 0.0 110.949 -178.074 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 48.9 ttm-85 -54.4 -43.65 71.66 Favored 'General case' 0 C--N 1.329 -0.294 0 O-C-N 123.542 0.526 . . . . 0.0 110.839 178.557 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 30' ' ' ILE . . . . . . . . . . . . . 62.5 mt -81.41 -46.55 20.3 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.517 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.852 -179.993 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 31' ' ' TYR . . . . . 0.412 ' HA ' ' OE1' ' A' ' 17' ' ' GLN . 6.7 m-85 -65.18 -14.49 60.73 Favored 'General case' 0 C--N 1.325 -0.471 0 N-CA-C 113.487 0.921 . . . . 0.0 113.487 -172.085 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 32' ' ' ASN . . . . . . . . . . . . . 2.6 p30 -102.3 -10.42 19.53 Favored 'General case' 0 C--N 1.325 -0.46 0 C-N-CA 119.98 -0.688 . . . . 0.0 111.32 -178.453 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 33' ' ' GLU . . . . . 0.421 ' O ' ' HA ' ' A' ' 7' ' ' CYS . 42.5 mt-10 -126.02 -4.83 6.85 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 121.144 0.497 . . . . 0.0 111.466 -178.015 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 34' ' ' ILE . . . . . 0.411 ' O ' ' HG3' ' A' ' 17' ' ' GLN . 22.0 mm -121.59 136.77 57.44 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.535 0 CA-C-O 121.06 0.457 . . . . 0.0 110.344 176.747 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 13.8 t -94.97 164.63 12.82 Favored 'General case' 0 N--CA 1.445 -0.687 0 CA-C-N 116.0 -0.546 . . . . 0.0 110.1 178.545 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 36' ' ' LYS . . . . . 0.626 ' HE2' ' O ' ' A' ' 17' ' ' GLN . 66.0 mttm -56.77 -33.96 67.13 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 115.926 -0.579 . . . . 0.0 111.004 -179.946 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 33.6 t70 -62.71 -55.78 23.65 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.467 -0.333 . . . . 0.0 111.167 -179.462 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -64.34 -39.26 93.53 Favored 'General case' 0 C--N 1.326 -0.449 0 CA-C-O 120.995 0.426 . . . . 0.0 110.637 179.12 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 39' ' ' TRP . . . . . . . . . . . . . 75.1 t-105 -61.96 -51.36 68.4 Favored 'General case' 0 C--N 1.325 -0.462 0 CA-C-N 115.614 -0.721 . . . . 0.0 110.996 179.64 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -64.99 -36.58 84.88 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.401 -0.363 . . . . 0.0 111.246 -177.882 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 41.3 mt-30 -65.71 -49.12 69.68 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.259 178.052 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 42' ' ' TRP . . . . . . . . . . . . . 50.0 t-105 -70.91 -36.84 72.87 Favored 'General case' 0 C--O 1.222 -0.357 0 C-N-CA 120.442 -0.503 . . . . 0.0 110.983 -177.711 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 43' ' ' GLN . . . . . . . . . . . . . 33.6 mt-30 -55.67 -49.09 73.87 Favored 'General case' 0 CA--C 1.518 -0.264 0 CA-C-O 121.173 0.511 . . . . 0.0 110.283 174.972 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 44' ' ' HIS . . . . . . . . . . . . . 5.1 t60 -68.62 -45.81 70.93 Favored 'General case' 0 C--N 1.322 -0.609 0 CA-C-N 115.397 -0.82 . . . . 0.0 110.728 -176.301 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 45' ' ' LYS . . . . . 0.461 ' O ' ' HB3' ' A' ' 48' ' ' MET . 17.7 tppt? -65.89 -43.28 88.73 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.102 -178.765 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 46' ' ' GLN . . . . . 0.574 ' O ' HG13 ' A' ' 50' ' ' ILE . 55.5 tp60 -66.55 -31.91 72.93 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-N 116.523 -0.308 . . . . 0.0 110.48 -179.441 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 86.5 m -61.47 -40.54 94.89 Favored 'General case' 0 C--O 1.234 0.263 0 CA-C-O 120.945 0.402 . . . . 0.0 110.001 175.29 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 48' ' ' MET . . . . . 0.461 ' HB3' ' O ' ' A' ' 45' ' ' LYS . 48.9 tpp -57.41 -52.09 66.76 Favored 'General case' 0 C--N 1.332 -0.192 0 CA-C-N 115.921 -0.581 . . . . 0.0 109.748 172.775 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 10.5 mp -58.73 -39.57 81.25 Favored 'General case' 0 C--N 1.331 -0.204 0 CA-C-N 115.803 -0.635 . . . . 0.0 111.749 -179.556 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 50' ' ' ILE . . . . . 0.574 HG13 ' O ' ' A' ' 46' ' ' GLN . 75.9 mt -56.56 -49.33 78.09 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.448 0 CA-C-O 121.012 0.434 . . . . 0.0 110.461 178.394 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 51' ' ' ASN . . . . . . . . . . . . . 90.6 m-20 -70.22 -48.23 57.94 Favored 'General case' 0 C--N 1.322 -0.604 0 CA-C-N 115.986 -0.552 . . . . 0.0 111.024 -178.864 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 52' ' ' GLU . . . . . 0.46 ' HG2' ' O ' ' A' ' 48' ' ' MET . 14.3 mm-40 -65.3 -37.32 86.79 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-N 116.091 -0.504 . . . . 0.0 111.874 -175.579 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 55.0 mtmt -94.0 7.42 45.15 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.886 -0.143 . . . . 0.0 111.349 -179.182 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 31.5 mmmt 59.73 39.16 21.26 Favored 'General case' 0 N--CA 1.469 0.525 0 O-C-N 123.473 0.483 . . . . 0.0 111.611 173.881 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 43.1 mt -84.93 88.7 7.45 Favored 'General case' 0 C--N 1.324 -0.517 0 CA-C-N 116.028 -0.533 . . . . 0.0 110.938 -176.554 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 56' ' ' ASN . . . . . . . . . . . . . 28.5 p-10 -76.56 116.11 16.94 Favored 'General case' 0 C--N 1.323 -0.557 0 CA-C-O 121.6 0.714 . . . . 0.0 109.424 175.429 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 57' ' ' MET . . . . . . . . . . . . . 24.4 mmt -81.4 15.59 1.97 Allowed 'General case' 0 C--N 1.323 -0.582 0 CA-C-N 115.726 -0.67 . . . . 0.0 112.026 -170.061 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 58' ' ' MET . . . . . . . . . . . . . 88.5 mtp -86.41 -6.63 58.88 Favored 'General case' 0 C--N 1.325 -0.463 0 CA-C-O 121.308 0.575 . . . . 0.0 109.937 174.942 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 59' ' ' ASN . . . . . . . . . . . . . 45.5 m-80 -111.22 138.64 47.42 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 115.714 -0.675 . . . . 0.0 110.286 175.872 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 60' ' ' ALA . . . . . 0.53 ' O ' ' HG2' ' A' ' 64' ' ' LYS . . . -63.1 -24.18 67.78 Favored 'General case' 0 C--N 1.326 -0.446 0 CA-C-N 115.983 -0.553 . . . . 0.0 111.082 -178.471 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 11.1 mm-40 -56.52 -54.45 45.71 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 115.836 -0.62 . . . . 0.0 111.274 178.363 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 62' ' ' HIS . . . . . . . . . . . . . 88.6 m-70 -79.87 -22.3 43.04 Favored 'General case' 0 C--N 1.324 -0.539 0 CA-C-N 116.121 -0.491 . . . . 0.0 110.258 -176.691 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 63' ' ' ARG . . . . . . . . . . . . . 14.8 tpp180 -63.84 -53.18 54.69 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 115.861 -0.608 . . . . 0.0 110.487 178.519 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 64' ' ' LYS . . . . . 0.53 ' HG2' ' O ' ' A' ' 60' ' ' ALA . 16.1 pttm -69.62 -28.75 66.19 Favored 'General case' 0 C--N 1.332 -0.16 0 C-N-CA 120.69 -0.404 . . . . 0.0 110.528 177.944 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -61.81 -47.25 85.95 Favored 'General case' 0 C--N 1.329 -0.312 0 N-CA-C 109.4 -0.593 . . . . 0.0 109.4 176.204 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 28.8 tp -53.65 -49.41 67.99 Favored 'General case' 0 C--O 1.233 0.187 0 CA-C-N 115.764 -0.653 . . . . 0.0 110.645 175.367 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 67' ' ' GLU . . . . . 0.401 ' O ' HG21 ' A' ' 71' ' ' VAL . 42.1 tt0 -57.19 -51.44 69.31 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 115.186 -0.916 . . . . 0.0 110.568 178.909 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 68' ' ' GLN . . . . . 0.478 HE21 HG12 ' A' ' 82' ' ' ILE . 26.2 mt-30 -59.49 -43.08 93.41 Favored 'General case' 0 C--N 1.325 -0.477 0 CA-C-N 115.582 -0.735 . . . . 0.0 111.793 -177.921 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 19.3 mt-10 -65.41 -41.37 93.7 Favored 'General case' 0 C--O 1.234 0.261 0 CA-C-O 120.871 0.367 . . . . 0.0 110.538 178.607 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 70' ' ' MET . . . . . . . . . . . . . 52.8 ttm -63.74 -50.37 69.36 Favored 'General case' 0 C--N 1.331 -0.205 0 CA-C-N 115.911 -0.586 . . . . 0.0 111.368 -176.952 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 71' ' ' VAL . . . . . 0.401 HG21 ' O ' ' A' ' 67' ' ' GLU . 44.3 t -66.19 -32.94 60.34 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.351 0 CA-C-N 116.497 -0.32 . . . . 0.0 111.19 -177.763 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 47.6 m -71.35 -35.24 71.09 Favored 'General case' 0 C--N 1.325 -0.48 0 CA-C-O 120.567 0.223 . . . . 0.0 111.445 -179.483 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 73' ' ' PHE . . . . . . . . . . . . . 49.8 t80 -87.99 -57.18 3.03 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-O 120.694 0.283 . . . . 0.0 111.38 -176.522 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 74' ' ' LEU . . . . . . . . . . . . . 48.8 mt -72.85 -51.7 17.76 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.396 -0.366 . . . . 0.0 111.954 -174.144 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 75' ' ' PHE . . . . . . . . . . . . . 56.8 t80 -79.37 -42.9 24.55 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-N 116.608 -0.269 . . . . 0.0 110.332 -177.116 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 23.6 tt0 58.06 75.15 0.4 Allowed 'General case' 0 C--O 1.236 0.385 0 CA-C-O 122.01 0.909 . . . . 0.0 110.328 -177.922 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . 161.88 58.81 0.02 OUTLIER Glycine 0 N--CA 1.448 -0.529 0 CA-C-N 114.878 -1.055 . . . . 0.0 111.424 -177.287 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 78' ' ' LYS . . . . . 0.446 ' HD3' ' O ' ' A' ' 80' ' ' VAL . 1.5 pptp? -109.52 156.32 20.27 Favored 'General case' 0 C--N 1.322 -0.628 0 CA-C-O 120.72 0.295 . . . . 0.0 110.74 -178.37 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 79' ' ' ASP . . . . . . . . . . . . . 8.1 p-10 -102.24 -22.37 14.18 Favored 'General case' 0 C--N 1.324 -0.507 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.778 179.512 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 80' ' ' VAL . . . . . 0.446 ' O ' ' HD3' ' A' ' 78' ' ' LYS . 31.2 t -75.95 116.42 18.92 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.42 0 CA-C-N 115.917 -0.583 . . . . 0.0 110.798 -178.756 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 81' ' ' HIS . . . . . . . . . . . . . 3.1 m-70 -71.35 145.72 49.24 Favored 'General case' 0 C--N 1.324 -0.509 0 CA-C-N 116.291 -0.413 . . . . 0.0 111.003 177.353 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 82' ' ' ILE . . . . . 0.478 HG12 HE21 ' A' ' 68' ' ' GLN . 22.6 mt -111.76 87.57 1.01 Allowed 'Isoleucine or valine' 0 C--N 1.322 -0.597 0 N-CA-C 109.705 -0.48 . . . . 0.0 109.705 178.071 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 31.3 mm-40 -160.85 176.03 11.9 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-N 115.726 -0.67 . . . . 0.0 109.667 179.972 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 84' ' ' GLY . . . . . . . . . . . . . . . -76.62 101.36 1.52 Allowed Glycine 0 N--CA 1.449 -0.455 0 C-N-CA 120.976 -0.631 . . . . 0.0 112.252 177.727 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 85' ' ' TYR . . . . . . . . . . . . . 21.8 p90 -102.97 160.25 14.78 Favored 'General case' 0 C--N 1.324 -0.533 0 CA-C-O 120.952 0.406 . . . . 0.0 111.062 179.682 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 86' ' ' THR . . . . . . . . . . . . . 29.4 m -128.08 99.21 25.46 Favored Pre-proline 0 C--N 1.322 -0.624 0 CA-C-N 115.988 -0.551 . . . . 0.0 110.493 178.526 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 87' ' ' PRO . . . . . . . . . . . . . 71.9 Cg_endo -81.99 132.72 7.5 Favored 'Trans proline' 0 N--CA 1.461 -0.436 0 C-N-CA 122.627 2.218 . . . . 0.0 112.21 -178.94 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 88' ' ' GLU . . . . . . . . . . . . . 34.8 tt0 -77.38 -38.2 50.51 Favored 'General case' 0 C--N 1.324 -0.51 0 CA-C-N 115.968 -0.56 . . . . 0.0 110.186 178.823 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 89' ' ' ASP . . . . . . . . . . . . . 4.4 t70 -145.26 178.92 7.73 Favored 'General case' 0 C--N 1.325 -0.493 0 N-CA-C 108.856 -0.794 . . . . 0.0 108.856 178.861 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 24.4 pttm -154.25 14.95 0.46 Allowed 'General case' 0 C--N 1.324 -0.507 0 CA-C-O 121.108 0.48 . . . . 0.0 111.049 -178.128 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 91' ' ' LYS . . . . . . . . . . . . . 88.8 tttt . . . . . 0 C--O 1.247 0.964 0 CA-C-O 118.523 -0.751 . . . . 0.0 109.681 178.126 . . . . . . . . 0 0 . 1 . 013 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 58.5 ttp . . . . . 0 N--CA 1.477 0.901 0 CA-C-O 120.91 0.386 . . . . 0.0 110.826 . . . . . . . . . 0 0 . 1 . 013 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 57.0 p -99.92 -53.83 3.06 Favored 'General case' 0 C--N 1.32 -0.677 0 N-CA-C 108.511 -0.922 . . . . 0.0 108.511 174.266 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 3' ' ' ARG . . . . . . . . . . . . . 12.6 ttm180 -144.23 93.26 2.41 Favored 'General case' 0 C--N 1.323 -0.572 0 CA-C-N 115.502 -0.772 . . . . 0.0 109.176 171.402 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 30.0 m -68.1 113.46 5.79 Favored 'General case' 0 C--N 1.324 -0.53 0 CA-C-N 115.744 -0.662 . . . . 0.0 110.708 -179.304 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 5' ' ' ILE . . . . . . . . . . . . . 2.5 pp -123.87 160.57 27.58 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.698 0 CA-C-N 115.884 -0.598 . . . . 0.0 110.655 -179.567 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 6' ' ' PHE . . . . . . . . . . . . . 81.3 m-85 -90.34 95.35 10.14 Favored 'General case' 0 C--N 1.321 -0.657 0 N-CA-C 109.55 -0.537 . . . . 0.0 109.55 174.15 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 7' ' ' CYS . . . . . 0.403 ' HB3' ' HB2' ' A' ' 10' ' ' LEU . 50.0 t -53.64 141.06 27.19 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 115.451 -0.795 . . . . 0.0 111.215 -177.243 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 2.1 p -58.88 -39.3 80.99 Favored 'General case' 0 C--N 1.325 -0.495 0 CA-C-N 116.113 -0.494 . . . . 0.0 111.696 -178.671 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 9' ' ' TYR . . . . . . . . . . . . . 76.9 t80 -83.09 -42.13 17.76 Favored 'General case' 0 C--N 1.326 -0.439 0 CA-C-N 116.105 -0.498 . . . . 0.0 111.227 -176.939 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 10' ' ' LEU . . . . . 0.403 ' HB2' ' HB3' ' A' ' 7' ' ' CYS . 79.3 mt -81.41 -35.49 30.63 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.57 -0.286 . . . . 0.0 111.489 -174.382 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 26.2 mm-40 62.73 19.69 11.58 Favored 'General case' 0 N--CA 1.466 0.347 0 CA-C-O 121.135 0.493 . . . . 0.0 111.542 -176.97 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 78.3 mtp180 -128.76 177.01 7.37 Favored 'General case' 0 C--N 1.323 -0.556 0 CA-C-N 116.113 -0.494 . . . . 0.0 109.827 -179.303 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 5.1 m-20 -63.29 114.7 3.97 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 123.477 0.486 . . . . 0.0 110.182 176.504 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -132.56 174.19 10.53 Favored 'General case' 0 C--N 1.316 -0.876 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.599 -179.288 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 7.9 tp10 -100.99 134.85 43.36 Favored 'General case' 0 C--N 1.321 -0.652 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.758 -175.459 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . -66.65 128.48 29.65 Favored Glycine 0 N--CA 1.444 -0.789 0 C-N-CA 120.602 -0.809 . . . . 0.0 111.512 174.776 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 17' ' ' GLN . . . . . 0.519 ' O ' ' HB3' ' A' ' 31' ' ' TYR . 0.0 OUTLIER -77.58 112.69 14.63 Favored 'General case' 0 C--N 1.323 -0.579 0 CA-C-O 120.891 0.377 . . . . 0.0 110.934 -179.389 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 6.4 m-20 -95.53 94.73 7.94 Favored 'General case' 0 C--N 1.323 -0.562 0 CA-C-O 120.959 0.409 . . . . 0.0 111.222 175.868 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 24.5 m-85 -144.57 127.69 16.6 Favored 'General case' 0 C--N 1.323 -0.574 0 CA-C-N 115.454 -0.794 . . . . 0.0 110.775 178.491 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 23.6 mm-40 -136.01 28.78 3.15 Favored 'General case' 0 C--N 1.321 -0.661 0 CA-C-N 115.289 -0.869 . . . . 0.0 109.211 177.901 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 21' ' ' LEU . . . . . 0.436 ' CD1' ' H ' ' A' ' 21' ' ' LEU . 0.0 OUTLIER -73.15 -6.3 44.88 Favored 'General case' 0 N--CA 1.465 0.308 0 CA-C-N 115.279 -0.873 . . . . 0.0 111.967 -173.616 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 22' ' ' TYR . . . . . 0.489 ' HB3' ' HD3' ' A' ' 23' ' ' PRO . 90.1 t80 -159.06 -53.05 0.01 OUTLIER Pre-proline 0 C--N 1.321 -0.631 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.894 -179.983 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 23' ' ' PRO . . . . . 0.489 ' HD3' ' HB3' ' A' ' 22' ' ' TYR . 83.9 Cg_endo -86.25 169.87 8.39 Favored 'Trans proline' 0 C--N 1.356 0.949 0 C-N-CA 121.738 1.626 . . . . 0.0 112.674 178.49 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -127.19 -97.57 0.98 Allowed Glycine 0 N--CA 1.447 -0.622 0 CA-C-N 115.686 -0.688 . . . . 0.0 111.824 178.246 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 3.5 tm-20 -59.22 -57.03 14.8 Favored 'General case' 0 CA--C 1.52 -0.177 0 O-C-N 123.736 0.316 . . . . 0.0 110.286 179.518 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 45.5 tp -61.3 -32.21 72.06 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.067 -0.515 . . . . 0.0 110.469 -179.052 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . -59.94 -62.37 6.16 Favored Glycine 0 N--CA 1.447 -0.575 0 C-N-CA 120.95 -0.643 . . . . 0.0 111.837 176.297 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 67.5 mttm -58.64 -35.74 72.98 Favored 'General case' 0 C--O 1.224 -0.257 0 CA-C-O 120.878 0.37 . . . . 0.0 110.507 179.313 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 34.1 ttt85 -52.74 -44.51 66.49 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-N 115.698 -0.683 . . . . 0.0 110.858 178.938 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 30' ' ' ILE . . . . . . . . . . . . . 65.5 mt -80.24 -40.86 20.41 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 CA-C-N 115.996 -0.547 . . . . 0.0 110.686 178.561 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 31' ' ' TYR . . . . . 0.519 ' HB3' ' O ' ' A' ' 17' ' ' GLN . 19.4 m-85 -71.07 -8.86 56.35 Favored 'General case' 0 C--N 1.324 -0.524 0 N-CA-C 112.587 0.588 . . . . 0.0 112.587 -174.581 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 32' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER -88.23 -21.77 24.33 Favored 'General case' 0 C--N 1.325 -0.484 0 CA-C-O 120.923 0.392 . . . . 0.0 110.383 174.949 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 31.3 mm-40 -104.63 -24.77 12.93 Favored 'General case' 0 C--N 1.325 -0.474 0 CA-C-N 115.991 -0.55 . . . . 0.0 110.182 -179.442 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 34' ' ' ILE . . . . . 0.425 HG13 ' HB3' ' A' ' 74' ' ' LEU . 29.6 mm -115.88 138.77 45.24 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.593 0 CA-C-N 115.726 -0.67 . . . . 0.0 111.228 -175.666 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 23.1 m -114.94 -171.06 1.87 Allowed 'General case' 0 N--CA 1.445 -0.71 0 CA-C-N 115.302 -0.863 . . . . 0.0 111.085 -178.56 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 27.4 mmtp -54.76 -51.64 65.07 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 115.406 -0.815 . . . . 0.0 111.275 -175.186 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 14.5 t70 -56.89 -53.53 56.95 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 115.511 -0.768 . . . . 0.0 111.357 -173.559 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -69.36 -42.45 75.23 Favored 'General case' 0 C--N 1.324 -0.514 0 CA-C-N 115.928 -0.578 . . . . 0.0 111.54 -176.333 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 39' ' ' TRP . . . . . . . . . . . . . 74.4 t-105 -67.28 -50.56 59.85 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 120.771 0.32 . . . . 0.0 111.08 -176.593 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -61.0 -43.18 99.27 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.093 -0.503 . . . . 0.0 111.365 -176.215 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 27.3 mt-30 -69.12 -44.49 72.3 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 116.49 -0.323 . . . . 0.0 111.486 -177.71 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 42' ' ' TRP . . . . . 0.505 ' NE1' ' HA ' ' A' ' 70' ' ' MET . 32.5 t-105 -62.01 -50.75 70.82 Favored 'General case' 0 C--N 1.331 -0.23 0 C-N-CA 121.011 -0.276 . . . . 0.0 111.271 -179.621 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 43' ' ' GLN . . . . . . . . . . . . . 15.9 mm100 -62.9 -38.69 91.96 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-O 120.641 0.257 . . . . 0.0 111.008 -178.09 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 44' ' ' HIS . . . . . . . . . . . . . 80.4 t60 -64.23 -40.81 96.81 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-O 120.972 0.415 . . . . 0.0 110.213 176.6 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 22.9 tptm -64.84 -46.01 83.69 Favored 'General case' 0 C--N 1.326 -0.438 0 CA-C-N 116.087 -0.506 . . . . 0.0 110.56 179.43 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 46' ' ' GLN . . . . . 0.511 ' O ' HG13 ' A' ' 50' ' ' ILE . 8.3 tp-100 -61.48 -42.19 98.4 Favored 'General case' 0 C--N 1.326 -0.443 0 CA-C-N 116.229 -0.442 . . . . 0.0 110.435 179.333 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 40.6 m -58.5 -37.78 76.29 Favored 'General case' 0 C--N 1.332 -0.153 0 CA-C-N 116.348 -0.387 . . . . 0.0 110.901 178.483 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 48' ' ' MET . . . . . . . . . . . . . 15.9 tpt -63.82 -40.88 97.67 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.552 179.62 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 11.0 mp -69.31 -31.36 69.78 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.333 -0.394 . . . . 0.0 110.553 178.267 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 50' ' ' ILE . . . . . 0.511 HG13 ' O ' ' A' ' 46' ' ' GLN . 73.0 mt -65.47 -37.82 80.98 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.211 174.769 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 51' ' ' ASN . . . . . . . . . . . . . 13.9 m120 -71.3 -34.4 70.58 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-O 121.155 0.503 . . . . 0.0 110.237 178.218 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 32.4 tt0 -70.89 -56.32 6.53 Favored 'General case' 0 C--N 1.324 -0.506 0 CA-C-N 115.368 -0.833 . . . . 0.0 111.339 -178.256 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 51.6 mtmt -90.05 -12.69 37.77 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-N 116.008 -0.542 . . . . 0.0 111.808 -172.597 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 95.4 mttt 57.82 73.44 0.47 Allowed 'General case' 0 N--CA 1.465 0.278 0 O-C-N 123.698 0.624 . . . . 0.0 111.375 177.841 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 4.3 pp -124.3 154.9 39.58 Favored 'General case' 0 C--N 1.325 -0.489 0 CA-C-N 116.34 -0.391 . . . . 0.0 111.549 -177.057 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 56' ' ' ASN . . . . . . . . . . . . . 10.2 m120 -113.64 142.48 45.94 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.79 177.629 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 57' ' ' MET . . . . . . . . . . . . . 24.0 mmt -85.79 6.73 26.68 Favored 'General case' 0 C--N 1.325 -0.457 0 CA-C-N 116.101 -0.5 . . . . 0.0 110.646 -179.074 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 58' ' ' MET . . . . . . . . . . . . . 70.9 mtm -78.17 -10.75 59.78 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.07 -0.514 . . . . 0.0 110.633 178.588 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 59' ' ' ASN . . . . . . . . . . . . . 68.6 m-20 -104.98 145.7 30.06 Favored 'General case' 0 C--N 1.325 -0.484 0 N-CA-C 109.673 -0.492 . . . . 0.0 109.673 177.518 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 60' ' ' ALA . . . . . 0.482 ' O ' ' HG2' ' A' ' 64' ' ' LYS . . . -61.29 -27.2 68.3 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-N 116.352 -0.385 . . . . 0.0 111.094 -179.591 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 61' ' ' GLU . . . . . 0.437 ' H ' ' HG3' ' A' ' 61' ' ' GLU . 9.8 mt-10 -46.0 -56.02 6.08 Favored 'General case' 0 C--O 1.237 0.405 0 CA-C-O 121.839 0.828 . . . . 0.0 110.526 176.911 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 62' ' ' HIS . . . . . . . . . . . . . 67.0 m-70 -93.78 -18.72 21.75 Favored 'General case' 0 C--N 1.32 -0.702 0 CA-C-N 114.981 -1.009 . . . . 0.0 110.776 -170.514 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 63' ' ' ARG . . . . . 0.583 ' NH1' ' HB2' ' A' ' 67' ' ' GLU . 0.0 OUTLIER -63.54 -44.0 95.47 Favored 'General case' 0 C--N 1.33 -0.266 0 N-CA-C 109.043 -0.725 . . . . 0.0 109.043 174.484 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 64' ' ' LYS . . . . . 0.482 ' HG2' ' O ' ' A' ' 60' ' ' ALA . 20.3 pttp -75.12 -29.36 60.54 Favored 'General case' 0 N--CA 1.455 -0.18 0 CA-C-N 116.368 -0.378 . . . . 0.0 110.416 176.654 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 44.8 tp -56.02 -57.54 11.69 Favored 'General case' 0 C--O 1.233 0.222 0 CA-C-O 120.687 0.279 . . . . 0.0 110.422 174.061 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 10.1 tt -61.26 -40.06 92.67 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.011 -0.541 . . . . 0.0 109.892 179.063 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 67' ' ' GLU . . . . . 0.583 ' HB2' ' NH1' ' A' ' 63' ' ' ARG . 18.3 tp10 -49.92 -59.4 3.9 Favored 'General case' 0 C--O 1.239 0.522 0 CA-C-O 121.411 0.625 . . . . 0.0 110.613 175.374 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 68' ' ' GLN . . . . . 0.421 ' HB3' HG12 ' A' ' 82' ' ' ILE . 56.2 mt-30 -57.06 -60.95 2.84 Favored 'General case' 0 C--N 1.325 -0.475 0 CA-C-N 115.059 -0.973 . . . . 0.0 110.87 -179.022 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 69' ' ' GLU . . . . . 0.438 ' HB3' ' CZ2' ' A' ' 42' ' ' TRP . 5.6 mm-40 -61.43 -43.73 98.36 Favored 'General case' 0 C--N 1.325 -0.469 0 N-CA-C 112.899 0.703 . . . . 0.0 112.899 -172.814 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 70' ' ' MET . . . . . 0.505 ' HA ' ' NE1' ' A' ' 42' ' ' TRP . 59.9 ttp -61.12 -59.23 5.66 Favored 'General case' 0 CA--C 1.518 -0.251 0 CA-C-O 120.589 0.233 . . . . 0.0 111.185 -176.345 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 71' ' ' VAL . . . . . 0.493 ' HB ' ' HD2' ' A' ' 78' ' ' LYS . 59.2 t -67.79 -22.77 28.56 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.42 0 CA-C-O 121.016 0.436 . . . . 0.0 110.732 -176.919 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 17.1 t -74.55 -54.83 6.73 Favored 'General case' 0 C--O 1.22 -0.5 0 O-C-N 122.013 -0.43 . . . . 0.0 110.394 177.722 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 73' ' ' PHE . . . . . . . . . . . . . 68.2 t80 -64.01 -28.19 69.63 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-O 120.982 0.42 . . . . 0.0 111.11 -176.837 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 74' ' ' LEU . . . . . 0.425 ' HB3' HG13 ' A' ' 34' ' ' ILE . 93.3 mt -94.66 -28.46 15.34 Favored 'General case' 0 C--N 1.323 -0.563 0 N-CA-C 112.626 0.602 . . . . 0.0 112.626 -175.15 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 75' ' ' PHE . . . . . 0.473 ' HB2' ' O ' ' A' ' 71' ' ' VAL . 77.4 m-85 -115.95 -43.7 2.97 Favored 'General case' 0 N--CA 1.468 0.463 0 O-C-N 122.037 -0.414 . . . . 0.0 112.004 -178.615 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 6.5 mm-40 65.05 101.09 0.04 OUTLIER 'General case' 0 N--CA 1.463 0.221 0 O-C-N 123.735 0.647 . . . . 0.0 111.743 -175.946 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . 128.31 48.03 0.17 Allowed Glycine 0 N--CA 1.448 -0.552 0 C-N-CA 120.728 -0.748 . . . . 0.0 112.583 178.201 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 78' ' ' LYS . . . . . 0.493 ' HD2' ' HB ' ' A' ' 71' ' ' VAL . 42.2 mtpt -78.68 170.46 16.62 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 121.156 0.503 . . . . 0.0 111.064 179.539 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 79' ' ' ASP . . . . . . . . . . . . . 50.6 m-20 -90.75 -24.85 20.25 Favored 'General case' 0 C--N 1.323 -0.548 0 N-CA-C 109.336 -0.616 . . . . 0.0 109.336 173.14 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 80' ' ' VAL . . . . . . . . . . . . . 46.4 t -80.71 116.78 25.54 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.344 0 CA-C-N 115.366 -0.834 . . . . 0.0 109.064 172.923 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 81' ' ' HIS . . . . . . . . . . . . . 56.0 m80 -80.32 129.34 34.44 Favored 'General case' 0 C--N 1.324 -0.536 0 CA-C-N 116.283 -0.417 . . . . 0.0 111.353 -172.631 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 82' ' ' ILE . . . . . 0.421 HG12 ' HB3' ' A' ' 68' ' ' GLN . 25.0 mt -99.98 88.06 1.48 Allowed 'Isoleucine or valine' 0 C--N 1.323 -0.584 0 CA-C-O 121.3 0.571 . . . . 0.0 109.934 176.887 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 9.1 pt-20 -150.8 -39.97 0.13 Allowed 'General case' 0 C--N 1.319 -0.744 0 CA-C-N 115.344 -0.844 . . . . 0.0 109.584 -179.826 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 84' ' ' GLY . . . . . . . . . . . . . . . -132.36 126.47 4.56 Favored Glycine 0 N--CA 1.44 -1.038 0 N-CA-C 110.714 -0.955 . . . . 0.0 110.714 174.605 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 85' ' ' TYR . . . . . . . . . . . . . 95.4 m-85 -83.54 82.55 8.25 Favored 'General case' 0 C--N 1.321 -0.641 0 CA-C-O 121.204 0.525 . . . . 0.0 110.399 -178.978 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 86' ' ' THR . . . . . . . . . . . . . 6.8 m -75.17 113.25 23.46 Favored Pre-proline 0 C--N 1.323 -0.547 0 CA-C-N 115.348 -0.842 . . . . 0.0 110.869 -179.376 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 87' ' ' PRO . . . . . . . . . . . . . 88.4 Cg_endo -87.78 -23.08 1.37 Allowed 'Trans proline' 0 N--CA 1.458 -0.576 0 C-N-CA 122.643 2.229 . . . . 0.0 113.117 179.945 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 88' ' ' GLU . . . . . . . . . . . . . 40.2 mt-10 -143.42 148.6 36.4 Favored 'General case' 0 C--N 1.33 -0.258 0 N-CA-C 110.134 -0.321 . . . . 0.0 110.134 -177.08 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 89' ' ' ASP . . . . . . . . . . . . . 38.0 t70 65.04 87.45 0.12 Allowed 'General case' 0 N--CA 1.468 0.433 0 O-C-N 123.898 0.748 . . . . 0.0 111.667 177.285 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 67.6 mttm -70.23 137.24 50.69 Favored 'General case' 0 C--N 1.328 -0.365 0 N-CA-C 109.317 -0.623 . . . . 0.0 109.317 175.665 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 91' ' ' LYS . . . . . . . . . . . . . 25.6 mmmt . . . . . 0 C--O 1.247 0.922 0 CA-C-O 118.966 -0.54 . . . . 0.0 110.083 -175.938 . . . . . . . . 0 0 . 1 . 014 nuclear orig full ' A' A ' 1' ' ' MET . . . . . 0.423 ' HA ' ' HE1' ' A' ' 1' ' ' MET . 2.9 mmt . . . . . 0 N--CA 1.483 1.181 0 CA-C-O 120.653 0.263 . . . . 0.0 110.602 . . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 15.1 m -112.86 120.33 41.07 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-N 116.505 -0.316 . . . . 0.0 111.346 -175.141 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 3' ' ' ARG . . . . . . . . . . . . . 59.8 ttp180 -96.63 91.44 5.74 Favored 'General case' 0 C--N 1.325 -0.494 0 N-CA-C 108.779 -0.823 . . . . 0.0 108.779 171.93 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 1.7 m -93.65 125.43 38.26 Favored 'General case' 0 C--N 1.318 -0.789 0 CA-C-N 115.542 -0.754 . . . . 0.0 110.23 -175.739 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 5' ' ' ILE . . . . . . . . . . . . . 2.7 pp -129.75 174.03 13.2 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.571 0 CA-C-O 120.986 0.422 . . . . 0.0 111.317 -175.184 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 6' ' ' PHE . . . . . . . . . . . . . 98.7 m-85 -92.59 106.09 18.13 Favored 'General case' 0 C--N 1.321 -0.656 0 N-CA-C 109.54 -0.541 . . . . 0.0 109.54 175.373 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 7' ' ' CYS . . . . . 0.572 ' SG ' ' HB2' ' A' ' 10' ' ' LEU . 13.8 p -82.4 140.15 33.63 Favored 'General case' 0 C--N 1.323 -0.582 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.662 -177.968 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 12.7 p -75.36 -20.27 59.1 Favored 'General case' 0 C--N 1.326 -0.442 0 N-CA-C 112.644 0.609 . . . . 0.0 112.644 -175.635 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 9' ' ' TYR . . . . . . . . . . . . . 47.1 t80 -74.71 -50.05 18.93 Favored 'General case' 0 C--N 1.327 -0.398 0 C-N-CA 120.683 -0.407 . . . . 0.0 110.732 178.239 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 10' ' ' LEU . . . . . 0.572 ' HB2' ' SG ' ' A' ' 7' ' ' CYS . 68.7 mt -86.59 -19.16 29.79 Favored 'General case' 0 C--N 1.325 -0.468 0 CA-C-N 116.459 -0.337 . . . . 0.0 110.578 -179.018 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 74.4 mm-40 63.13 28.11 15.91 Favored 'General case' 0 C--O 1.233 0.194 0 CA-C-N 115.684 -0.689 . . . . 0.0 111.166 179.713 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 29.5 ptt180 -155.27 176.73 12.19 Favored 'General case' 0 N--CA 1.448 -0.54 0 CA-C-O 121.211 0.529 . . . . 0.0 111.295 177.948 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 20.7 t70 -66.51 123.97 21.49 Favored 'General case' 0 C--N 1.323 -0.561 0 CA-C-N 114.707 -1.133 . . . . 0.0 111.853 -173.441 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -156.5 168.03 28.63 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.279 -179.167 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 15' ' ' GLU . . . . . 0.537 ' O ' ' HA ' ' A' ' 35' ' ' SER . 9.1 mp0 -70.01 125.3 26.34 Favored 'General case' 0 CA--C 1.514 -0.432 0 N-CA-C 110.188 -0.301 . . . . 0.0 110.188 -179.274 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . -71.66 160.42 54.05 Favored Glycine 0 N--CA 1.447 -0.624 0 C-N-CA 120.579 -0.82 . . . . 0.0 111.44 177.057 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 17' ' ' GLN . . . . . 0.462 ' NE2' ' HA ' ' A' ' 36' ' ' LYS . 9.3 tp-100 -66.54 163.61 18.3 Favored 'General case' 0 C--N 1.327 -0.412 0 N-CA-C 109.321 -0.622 . . . . 0.0 109.321 177.902 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 11.5 t70 -73.71 -94.29 0.02 OUTLIER 'General case' 0 C--N 1.327 -0.371 0 N-CA-C 112.849 0.685 . . . . 0.0 112.849 -168.32 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 24.2 m-85 -147.74 -171.55 3.84 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 121.07 0.462 . . . . 0.0 111.94 -174.443 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 13.9 mm100 -70.87 93.88 1.01 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 115.249 -0.887 . . . . 0.0 110.921 -178.106 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -107.58 -2.49 20.25 Favored 'General case' 0 C--N 1.321 -0.659 0 CA-C-N 115.955 -0.566 . . . . 0.0 111.498 179.27 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 22' ' ' TYR . . . . . 0.483 ' HB3' ' HD3' ' A' ' 23' ' ' PRO . 71.1 t80 -168.28 -54.54 0.0 OUTLIER Pre-proline 0 CA--C 1.538 0.509 0 N-CA-C 112.519 0.563 . . . . 0.0 112.519 -179.428 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 23' ' ' PRO . . . . . 0.483 ' HD3' ' HB3' ' A' ' 22' ' ' TYR . 2.8 Cg_endo -84.47 -178.61 3.44 Favored 'Trans proline' 0 C--N 1.357 0.985 0 C-N-CA 122.133 1.889 . . . . 0.0 112.736 -174.112 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -111.09 -128.16 5.26 Favored Glycine 0 N--CA 1.45 -0.381 0 C-N-CA 120.968 -0.634 . . . . 0.0 112.962 -177.946 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -58.89 -46.81 86.94 Favored 'General case' 0 N--CA 1.465 0.289 0 N-CA-C 112.497 0.554 . . . . 0.0 112.497 -174.422 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 91.3 mt -64.46 -34.55 78.46 Favored 'General case' 0 C--N 1.326 -0.455 0 CA-C-O 120.714 0.292 . . . . 0.0 110.35 179.4 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 27' ' ' GLY . . . . . 0.416 ' HA3' ' HB2' ' A' ' 23' ' ' PRO . . . -60.09 -55.87 27.85 Favored Glycine 0 N--CA 1.445 -0.766 0 C-N-CA 120.771 -0.728 . . . . 0.0 111.794 178.383 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 47.6 pttt -64.33 -35.65 81.57 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.585 0.231 . . . . 0.0 110.69 -177.934 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 59.8 ttt180 -57.99 -54.99 40.68 Favored 'General case' 0 N--CA 1.454 -0.263 0 N-CA-C 109.991 -0.374 . . . . 0.0 109.991 177.512 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 30' ' ' ILE . . . . . . . . . . . . . 88.2 mt -62.57 -37.65 79.45 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.422 0 CA-C-N 115.661 -0.7 . . . . 0.0 110.858 -179.34 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 31' ' ' TYR . . . . . . . . . . . . . 15.5 m-30 -61.68 -26.51 68.07 Favored 'General case' 0 C--N 1.327 -0.384 0 N-CA-C 111.749 0.278 . . . . 0.0 111.749 -179.191 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 32' ' ' ASN . . . . . . . . . . . . . 26.5 m-80 -87.72 -5.65 58.57 Favored 'General case' 0 C--N 1.326 -0.449 0 N-CA-C 112.063 0.394 . . . . 0.0 112.063 -179.7 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 33' ' ' GLU . . . . . 0.442 ' O ' ' HA ' ' A' ' 7' ' ' CYS . 8.7 pt-20 -132.43 13.93 4.55 Favored 'General case' 0 C--N 1.326 -0.439 0 CA-C-O 121.125 0.488 . . . . 0.0 111.178 178.612 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 34' ' ' ILE . . . . . . . . . . . . . 11.7 mm -135.14 133.61 53.11 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.424 0 CA-C-O 121.256 0.551 . . . . 0.0 110.665 178.025 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 35' ' ' SER . . . . . 0.537 ' HA ' ' O ' ' A' ' 15' ' ' GLU . 15.6 t -74.28 158.2 34.47 Favored 'General case' 0 C--N 1.323 -0.578 0 CA-C-N 115.144 -0.934 . . . . 0.0 111.88 -176.207 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 36' ' ' LYS . . . . . 0.462 ' HA ' ' NE2' ' A' ' 17' ' ' GLN . 32.1 mmtp -50.85 -42.49 58.7 Favored 'General case' 0 C--O 1.232 0.159 0 CA-C-N 115.269 -0.878 . . . . 0.0 109.67 169.993 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 2.5 m-20 -64.77 -56.81 11.31 Favored 'General case' 0 CA--C 1.518 -0.281 0 CA-C-N 115.186 -0.916 . . . . 0.0 110.472 179.373 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -56.83 -44.91 82.53 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 115.642 -0.708 . . . . 0.0 112.056 -175.325 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 39' ' ' TRP . . . . . . . . . . . . . 76.8 t-105 -64.08 -43.54 95.11 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-O 120.981 0.42 . . . . 0.0 110.732 -178.953 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -67.58 -40.52 84.84 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 115.938 -0.574 . . . . 0.0 110.753 -179.55 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 90.4 mt-30 -57.7 -45.6 85.46 Favored 'General case' 0 C--N 1.331 -0.21 0 CA-C-N 115.822 -0.626 . . . . 0.0 111.166 178.992 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 42' ' ' TRP . . . . . . . . . . . . . 25.1 t-105 -62.64 -49.48 75.01 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.444 -0.343 . . . . 0.0 111.189 -179.901 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 43' ' ' GLN . . . . . . . . . . . . . 41.2 mt-30 -60.42 -42.56 96.28 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-O 120.914 0.388 . . . . 0.0 110.29 179.771 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 44' ' ' HIS . . . . . . . . . . . . . 8.2 t-160 -60.18 -47.49 85.72 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 115.769 -0.65 . . . . 0.0 110.105 179.383 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 17.3 tppt? -61.44 -52.42 64.61 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 115.434 -0.803 . . . . 0.0 110.738 178.727 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 46' ' ' GLN . . . . . 0.556 ' O ' HG13 ' A' ' 50' ' ' ILE . 6.6 tp-100 -62.93 -37.25 86.26 Favored 'General case' 0 C--O 1.22 -0.461 0 CA-C-N 116.347 -0.388 . . . . 0.0 111.297 -176.476 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 89.0 m -56.42 -44.92 80.82 Favored 'General case' 0 C--O 1.237 0.422 0 CA-C-O 121.198 0.523 . . . . 0.0 110.421 176.919 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 48' ' ' MET . . . . . . . . . . . . . 26.9 ttt -63.0 -44.64 95.46 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 115.74 -0.664 . . . . 0.0 110.007 176.425 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 8.5 mp -61.51 -38.33 86.95 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 115.961 -0.563 . . . . 0.0 111.747 -179.835 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 50' ' ' ILE . . . . . 0.556 HG13 ' O ' ' A' ' 46' ' ' GLN . 76.4 mt -62.71 -36.71 76.58 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.428 0 CA-C-O 120.75 0.31 . . . . 0.0 110.458 178.176 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 51' ' ' ASN . . . . . . . . . . . . . 87.7 m-20 -76.44 -26.99 56.04 Favored 'General case' 0 C--N 1.323 -0.555 0 CA-C-N 116.381 -0.372 . . . . 0.0 111.208 178.449 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 13.3 mm-40 -84.09 -48.65 9.66 Favored 'General case' 0 C--N 1.324 -0.536 0 CA-C-N 116.344 -0.389 . . . . 0.0 111.397 -179.453 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 93.9 mttt -73.33 -28.95 62.36 Favored 'General case' 0 C--N 1.324 -0.502 0 N-CA-C 109.568 -0.53 . . . . 0.0 109.568 178.447 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 97.3 mttt 51.33 77.39 0.14 Allowed 'General case' 0 C--O 1.234 0.248 0 CA-C-N 115.128 -0.942 . . . . 0.0 111.077 -175.028 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 55' ' ' LEU . . . . . 0.433 HD11 ' O ' ' A' ' 55' ' ' LEU . 2.8 pp -126.0 155.31 41.64 Favored 'General case' 0 C--N 1.322 -0.601 0 CA-C-N 114.697 -1.138 . . . . 0.0 110.866 -177.137 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 56' ' ' ASN . . . . . . . . . . . . . 9.2 m120 -98.39 119.82 37.73 Favored 'General case' 0 C--N 1.323 -0.584 0 CA-C-N 115.805 -0.634 . . . . 0.0 109.834 179.13 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 57' ' ' MET . . . . . . . . . . . . . 21.1 mmt -74.41 -7.26 52.31 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-O 120.97 0.414 . . . . 0.0 111.165 179.25 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 58' ' ' MET . . . . . . . . . . . . . 1.9 mpt? -64.78 -32.53 74.26 Favored 'General case' 0 C--N 1.327 -0.413 0 CA-C-N 115.941 -0.572 . . . . 0.0 110.402 176.666 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 59' ' ' ASN . . . . . . . . . . . . . 15.1 m120 -81.61 136.31 35.54 Favored 'General case' 0 C--N 1.325 -0.477 0 CA-C-N 115.936 -0.574 . . . . 0.0 110.32 -179.181 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -58.73 -30.39 67.43 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.15 -179.433 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 48.5 mt-10 -46.28 -55.99 6.43 Favored 'General case' 0 N--CA 1.464 0.244 0 CA-C-N 115.682 -0.69 . . . . 0.0 111.233 174.958 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 62' ' ' HIS . . . . . . . . . . . . . 29.2 m80 -85.38 -21.07 29.01 Favored 'General case' 0 C--N 1.323 -0.562 0 CA-C-N 115.206 -0.906 . . . . 0.0 110.847 -171.961 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 63' ' ' ARG . . . . . . . . . . . . . 22.7 tpp180 -65.28 -50.44 65.73 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.225 178.345 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 64' ' ' LYS . . . . . 0.546 ' O ' ' HG3' ' A' ' 68' ' ' GLN . 45.4 pttt -75.13 -26.77 59.44 Favored 'General case' 0 C--N 1.327 -0.387 0 C-N-CA 120.37 -0.532 . . . . 0.0 109.973 179.081 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 65' ' ' LEU . . . . . 0.421 ' O ' ' HG3' ' A' ' 69' ' ' GLU . 60.9 tp -59.42 -46.42 88.77 Favored 'General case' 0 C--O 1.233 0.196 0 N-CA-C 109.749 -0.463 . . . . 0.0 109.749 174.868 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 54.7 tp -54.87 -46.1 74.67 Favored 'General case' 0 N--CA 1.454 -0.25 0 CA-C-N 115.663 -0.699 . . . . 0.0 110.435 174.774 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 67' ' ' GLU . . . . . 0.464 ' O ' HG23 ' A' ' 71' ' ' VAL . 35.8 tt0 -59.07 -50.95 72.1 Favored 'General case' 0 C--N 1.331 -0.239 0 CA-C-N 115.973 -0.558 . . . . 0.0 110.826 178.248 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 68' ' ' GLN . . . . . 0.546 ' HG3' ' O ' ' A' ' 64' ' ' LYS . 23.4 mt-30 -58.94 -44.66 91.44 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.36 -0.382 . . . . 0.0 111.193 -177.836 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 69' ' ' GLU . . . . . 0.421 ' HG3' ' O ' ' A' ' 65' ' ' LEU . 33.2 mt-10 -66.44 -39.16 88.73 Favored 'General case' 0 C--N 1.331 -0.198 0 CA-C-O 120.873 0.368 . . . . 0.0 110.239 178.618 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 70' ' ' MET . . . . . . . . . . . . . 49.8 ttm -62.54 -48.55 79.03 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.847 179.961 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 71' ' ' VAL . . . . . 0.464 HG23 ' O ' ' A' ' 67' ' ' GLU . 59.5 t -65.88 -24.69 34.6 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 CA-C-N 115.741 -0.663 . . . . 0.0 110.57 -179.772 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 9.3 t -79.71 -33.54 40.86 Favored 'General case' 0 C--N 1.323 -0.56 0 CA-C-O 120.832 0.348 . . . . 0.0 110.673 178.746 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 73' ' ' PHE . . . . . . . . . . . . . 64.0 t80 -86.58 -51.39 6.19 Favored 'General case' 0 C--N 1.324 -0.535 0 CA-C-N 116.326 -0.397 . . . . 0.0 111.522 -174.871 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 74' ' ' LEU . . . . . . . . . . . . . 96.1 mt -92.56 -36.95 12.74 Favored 'General case' 0 C--N 1.324 -0.517 0 N-CA-C 112.087 0.403 . . . . 0.0 112.087 -172.992 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 75' ' ' PHE . . . . . 0.411 ' HB3' ' O ' ' A' ' 71' ' ' VAL . 21.3 t80 -90.73 -42.7 10.56 Favored 'General case' 0 C--N 1.323 -0.544 0 CA-C-N 116.362 -0.381 . . . . 0.0 110.929 -172.477 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 21.8 mm-40 63.28 24.25 14.19 Favored 'General case' 0 N--CA 1.467 0.397 0 CA-C-N 115.851 -0.613 . . . . 0.0 111.488 -179.01 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . -134.76 65.78 0.57 Allowed Glycine 0 N--CA 1.448 -0.504 0 N-CA-C 111.375 -0.69 . . . . 0.0 111.375 177.452 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 78' ' ' LYS . . . . . 0.405 ' HD3' ' O ' ' A' ' 78' ' ' LYS . 0.0 OUTLIER -119.79 128.98 54.23 Favored 'General case' 0 C--N 1.323 -0.575 0 CA-C-O 121.296 0.569 . . . . 0.0 111.517 -176.235 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 79' ' ' ASP . . . . . . . . . . . . . 7.7 m-20 -101.12 -21.02 15.08 Favored 'General case' 0 C--N 1.321 -0.641 0 CA-C-N 115.387 -0.824 . . . . 0.0 109.987 178.45 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 80' ' ' VAL . . . . . . . . . . . . . 18.9 t -65.82 129.68 30.36 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 115.567 -0.742 . . . . 0.0 110.567 -178.517 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 81' ' ' HIS . . . . . . . . . . . . . 36.5 m170 -70.51 117.63 12.29 Favored 'General case' 0 C--N 1.325 -0.458 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.459 -178.88 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 82' ' ' ILE . . . . . 0.471 ' HA ' ' NE2' ' A' ' 68' ' ' GLN . 24.8 mt -85.02 113.03 22.89 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.41 0 CA-C-N 115.966 -0.561 . . . . 0.0 110.527 -178.057 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 24.8 tt0 -166.57 -51.95 0.03 OUTLIER 'General case' 0 C--N 1.326 -0.422 0 CA-C-N 115.946 -0.57 . . . . 0.0 109.686 179.923 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 84' ' ' GLY . . . . . . . . . . . . . . . 144.07 148.77 4.94 Favored Glycine 0 N--CA 1.447 -0.589 0 CA-C-N 115.635 -0.711 . . . . 0.0 111.682 177.68 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 85' ' ' TYR . . . . . . . . . . . . . 85.6 m-85 58.14 -159.25 0.27 Allowed 'General case' 0 C--O 1.237 0.397 0 O-C-N 123.709 0.299 . . . . 0.0 110.618 179.878 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 86' ' ' THR . . . . . 0.449 HG22 ' HA ' ' A' ' 90' ' ' LYS . 49.4 m -82.26 115.58 58.59 Favored Pre-proline 0 C--N 1.322 -0.624 0 N-CA-C 108.933 -0.765 . . . . 0.0 108.933 173.206 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 87' ' ' PRO . . . . . 0.47 ' HB2' ' OE2' ' A' ' 88' ' ' GLU . 8.6 Cg_endo -48.84 -69.97 0.07 OUTLIER 'Trans proline' 0 C--N 1.345 0.39 0 C-N-CA 123.554 2.836 . . . . 0.0 114.083 -168.781 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 88' ' ' GLU . . . . . 0.484 ' HG2' ' H ' ' A' ' 89' ' ' ASP . 1.1 pm0 -114.71 -75.06 0.59 Allowed 'General case' 0 C--N 1.328 -0.347 0 N-CA-C 112.466 0.543 . . . . 0.0 112.466 -176.912 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 89' ' ' ASP . . . . . 0.484 ' H ' ' HG2' ' A' ' 88' ' ' GLU . 28.2 t70 -101.99 127.3 48.91 Favored 'General case' 0 C--N 1.324 -0.528 0 CA-C-O 120.832 0.348 . . . . 0.0 110.963 -174.264 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 90' ' ' LYS . . . . . 0.449 ' HA ' HG22 ' A' ' 86' ' ' THR . 62.4 mttp -85.85 117.59 24.81 Favored 'General case' 0 C--N 1.325 -0.468 0 CA-C-N 116.02 -0.536 . . . . 0.0 110.733 178.978 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 91' ' ' LYS . . . . . . . . . . . . . 49.4 mtmt . . . . . 0 C--O 1.25 1.112 0 CA-C-O 118.232 -0.889 . . . . 0.0 109.441 174.57 . . . . . . . . 0 0 . 1 . 015 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 11.7 tpt . . . . . 0 N--CA 1.483 1.191 0 CA-C-O 120.657 0.265 . . . . 0.0 110.347 . . . . . . . . . 0 0 . 1 . 015 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 11.3 m 66.12 -177.54 0.19 Allowed 'General case' 0 CA--C 1.532 0.274 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.122 -177.837 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 3' ' ' ARG . . . . . . . . . . . . . 17.9 ptp180 -84.45 125.88 32.76 Favored 'General case' 0 C--N 1.326 -0.418 0 C-N-CA 120.564 -0.454 . . . . 0.0 110.495 178.405 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 9.0 p -86.58 104.01 15.62 Favored 'General case' 0 C--N 1.322 -0.594 0 CA-C-N 115.835 -0.62 . . . . 0.0 110.6 179.647 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 5' ' ' ILE . . . . . . . . . . . . . 2.8 pp -118.04 167.44 11.26 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.667 0 CA-C-N 115.778 -0.646 . . . . 0.0 111.468 -174.809 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 6' ' ' PHE . . . . . . . . . . . . . 99.5 m-85 -93.23 101.15 13.41 Favored 'General case' 0 C--N 1.323 -0.555 0 CA-C-N 116.215 -0.448 . . . . 0.0 109.81 178.248 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 7' ' ' CYS . . . . . 0.425 ' HA ' ' O ' ' A' ' 33' ' ' GLU . 53.5 t -72.7 130.57 40.82 Favored 'General case' 0 C--N 1.324 -0.512 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.69 -178.053 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 3.6 p -64.65 -41.34 96.18 Favored 'General case' 0 C--N 1.326 -0.45 0 CA-C-N 116.088 -0.506 . . . . 0.0 112.006 -178.262 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 9' ' ' TYR . . . . . . . . . . . . . 66.1 t80 -75.48 -37.94 59.91 Favored 'General case' 0 C--N 1.324 -0.508 0 CA-C-N 116.458 -0.337 . . . . 0.0 111.102 -176.612 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 98.6 mt -84.93 -32.95 22.81 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.569 -0.287 . . . . 0.0 111.73 -177.143 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 86.0 mm-40 62.71 32.15 16.28 Favored 'General case' 0 N--CA 1.464 0.244 0 CA-C-O 121.461 0.648 . . . . 0.0 110.041 -174.156 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 27.9 mmt180 -135.52 176.37 8.74 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 115.105 -0.952 . . . . 0.0 109.627 -179.657 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 10.8 m-20 -84.75 121.6 27.92 Favored 'General case' 0 C--N 1.324 -0.531 0 N-CA-C 108.968 -0.753 . . . . 0.0 108.968 173.961 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -140.95 173.34 11.58 Favored 'General case' 0 C--N 1.318 -0.783 0 CA-C-N 116.433 -0.348 . . . . 0.0 110.296 -178.087 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 15' ' ' GLU . . . . . 0.431 ' C ' ' H ' ' A' ' 17' ' ' GLN . 11.3 pt-20 -78.23 144.02 36.61 Favored 'General case' 0 C--N 1.323 -0.545 0 N-CA-C 110.078 -0.341 . . . . 0.0 110.078 179.601 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . -77.49 41.01 1.82 Allowed Glycine 0 C--O 1.229 -0.166 0 C-N-CA 121.183 -0.532 . . . . 0.0 112.792 179.045 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 17' ' ' GLN . . . . . 0.431 ' H ' ' C ' ' A' ' 15' ' ' GLU . 15.8 pt20 43.75 -151.94 0.03 OUTLIER 'General case' 0 CA--C 1.541 0.623 0 C-N-CA 124.766 1.227 . . . . 0.0 113.391 175.625 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 2.5 m-20 -68.77 176.49 3.0 Favored 'General case' 0 N--CA 1.465 0.303 0 CA-C-O 121.534 0.683 . . . . 0.0 112.338 -177.856 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 63.0 t80 -90.78 164.12 14.21 Favored 'General case' 0 C--N 1.324 -0.503 0 CA-C-N 115.297 -0.865 . . . . 0.0 110.198 179.77 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 15.4 mm100 -44.92 127.54 6.51 Favored 'General case' 0 N--CA 1.465 0.321 0 O-C-N 123.81 0.694 . . . . 0.0 112.109 178.026 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 3.4 mp -101.84 -69.62 0.78 Allowed 'General case' 0 C--N 1.326 -0.415 0 CA-C-N 116.011 -0.54 . . . . 0.0 109.597 178.604 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 22' ' ' TYR . . . . . 0.473 ' H ' ' HD2' ' A' ' 23' ' ' PRO . 58.6 m-85 -140.71 -44.43 0.02 OUTLIER Pre-proline 0 C--N 1.326 -0.451 0 CA-C-N 115.567 -0.742 . . . . 0.0 111.963 -178.267 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 23' ' ' PRO . . . . . 0.473 ' HD2' ' H ' ' A' ' 22' ' ' TYR . 48.1 Cg_exo -58.06 136.81 77.3 Favored 'Trans proline' 0 C--N 1.359 1.081 0 C-N-CA 121.646 1.564 . . . . 0.0 111.822 174.296 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -89.24 -111.88 1.28 Allowed Glycine 0 N--CA 1.449 -0.485 0 C-N-CA 120.916 -0.659 . . . . 0.0 113.402 -171.794 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 29.9 mm-40 -64.58 -37.1 86.39 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.803 0.335 . . . . 0.0 110.993 -175.38 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 56.6 tp -69.1 -36.13 77.21 Favored 'General case' 0 C--N 1.323 -0.573 0 CA-C-N 116.311 -0.404 . . . . 0.0 110.0 177.414 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 27' ' ' GLY . . . . . 0.455 ' HA3' ' HB2' ' A' ' 23' ' ' PRO . . . -61.71 -57.62 16.83 Favored Glycine 0 N--CA 1.448 -0.557 0 C-N-CA 120.972 -0.632 . . . . 0.0 112.15 179.073 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 17.6 ptpt -60.47 -31.13 70.16 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-O 120.829 0.347 . . . . 0.0 110.905 -178.657 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 78.7 ttt180 -62.28 -39.26 92.38 Favored 'General case' 0 C--N 1.332 -0.193 0 CA-C-N 115.837 -0.62 . . . . 0.0 110.443 178.558 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 30' ' ' ILE . . . . . . . . . . . . . 70.5 mt -79.23 -43.6 24.0 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.565 0 CA-C-N 116.303 -0.408 . . . . 0.0 110.264 179.13 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 31' ' ' TYR . . . . . 0.422 ' HE1' ' CH2' ' A' ' 39' ' ' TRP . 16.7 m-30 -65.54 -28.21 69.0 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.151 -0.477 . . . . 0.0 112.261 -173.628 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 32' ' ' ASN . . . . . . . . . . . . . 0.0 OUTLIER -93.23 1.36 57.1 Favored 'General case' 0 C--N 1.329 -0.322 0 C-N-CA 120.112 -0.635 . . . . 0.0 111.535 -177.82 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 33' ' ' GLU . . . . . 0.425 ' O ' ' HA ' ' A' ' 7' ' ' CYS . 45.4 mt-10 -124.1 0.96 8.53 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-O 121.436 0.636 . . . . 0.0 110.277 176.074 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 34' ' ' ILE . . . . . 0.424 HG13 ' HB3' ' A' ' 74' ' ' LEU . 9.3 mm -129.97 139.57 51.17 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.507 0 CA-C-N 115.407 -0.815 . . . . 0.0 109.804 176.597 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 9.4 t -100.46 171.08 7.96 Favored 'General case' 0 N--CA 1.442 -0.833 0 CA-C-O 121.558 0.694 . . . . 0.0 111.199 -179.501 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 19.9 ttmm -58.14 -32.58 68.29 Favored 'General case' 0 C--N 1.317 -0.815 0 CA-C-N 114.363 -1.289 . . . . 0.0 112.223 -177.204 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 5.8 p-10 -70.95 -40.21 72.13 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-O 120.844 0.354 . . . . 0.0 110.557 -177.352 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -79.29 -38.4 35.44 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.897 179.803 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 39' ' ' TRP . . . . . 0.422 ' CH2' ' HE1' ' A' ' 31' ' ' TYR . 72.2 t-105 -61.43 -49.07 78.31 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 115.879 -0.6 . . . . 0.0 110.488 179.672 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -66.81 -36.89 83.42 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.525 179.668 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 6.3 tp-100 -56.3 -53.66 54.62 Favored 'General case' 0 C--O 1.233 0.204 0 CA-C-N 115.677 -0.692 . . . . 0.0 110.943 178.216 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 42' ' ' TRP . . . . . 0.535 ' HE1' ' HA ' ' A' ' 70' ' ' MET . 40.6 t-105 -79.28 -34.27 42.65 Favored 'General case' 0 N--CA 1.451 -0.401 0 C-N-CA 120.414 -0.514 . . . . 0.0 111.798 -173.294 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 43' ' ' GLN . . . . . . . . . . . . . 30.9 mt-30 -63.86 -39.99 95.5 Favored 'General case' 0 C--N 1.33 -0.278 0 C-N-CA 120.206 -0.598 . . . . 0.0 110.917 177.527 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 44' ' ' HIS . . . . . . . . . . . . . 69.7 t60 -63.04 -47.44 82.99 Favored 'General case' 0 C--N 1.324 -0.536 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.268 179.161 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 57.7 tptt -69.31 -42.63 75.14 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 115.635 -0.711 . . . . 0.0 111.078 -178.226 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 46' ' ' GLN . . . . . 0.531 ' O ' HG13 ' A' ' 50' ' ' ILE . 59.0 tp60 -61.21 -43.72 98.43 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 116.381 -0.372 . . . . 0.0 110.681 -179.505 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 29.7 m -61.32 -39.04 89.03 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.938 0.399 . . . . 0.0 110.437 179.05 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 48' ' ' MET . . . . . . . . . . . . . 52.2 tpp -68.21 -36.96 80.35 Favored 'General case' 0 C--N 1.332 -0.193 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.068 177.643 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 4.1 mp -63.33 -41.05 98.87 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.114 -0.493 . . . . 0.0 110.695 175.757 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 50' ' ' ILE . . . . . 0.531 HG13 ' O ' ' A' ' 46' ' ' GLN . 81.7 mt -62.08 -42.05 93.49 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.436 0 CA-C-O 121.064 0.459 . . . . 0.0 110.333 176.661 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 51' ' ' ASN . . . . . . . . . . . . . 26.1 t-20 -66.58 -35.83 81.16 Favored 'General case' 0 C--N 1.325 -0.488 0 CA-C-N 115.592 -0.731 . . . . 0.0 111.009 178.12 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 3.6 mm-40 -80.29 -46.99 15.24 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-N 115.868 -0.605 . . . . 0.0 112.405 -177.239 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 66.6 mttm -74.04 -22.09 59.69 Favored 'General case' 0 C--N 1.324 -0.536 0 N-CA-C 109.863 -0.421 . . . . 0.0 109.863 179.325 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 49.5 mttm 58.9 41.84 20.61 Favored 'General case' 0 CA--C 1.521 -0.153 0 CA-C-N 115.248 -0.887 . . . . 0.0 110.58 178.0 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 3.6 pp -88.73 150.76 22.81 Favored 'General case' 0 C--N 1.323 -0.545 0 CA-C-N 114.861 -1.063 . . . . 0.0 110.507 -178.624 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 56' ' ' ASN . . . . . . . . . . . . . 11.1 m120 -112.61 135.68 53.04 Favored 'General case' 0 C--N 1.324 -0.535 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.201 -179.001 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 57' ' ' MET . . . . . . . . . . . . . 1.2 mpt? -75.82 -1.18 23.98 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 115.836 -0.62 . . . . 0.0 110.088 175.596 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 58' ' ' MET . . . . . . . . . . . . . 81.2 mtp -63.95 -30.29 71.38 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 114.845 -1.07 . . . . 0.0 109.922 175.059 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 59' ' ' ASN . . . . . . . . . . . . . 3.9 m-20 -102.26 131.37 48.87 Favored 'General case' 0 C--O 1.238 0.452 0 CA-C-N 115.491 -0.777 . . . . 0.0 109.829 177.977 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -59.71 -27.33 66.36 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 116.147 -0.478 . . . . 0.0 111.924 -175.71 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 13.2 mm-40 -59.74 -30.66 68.99 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.309 -0.405 . . . . 0.0 111.587 179.945 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 62' ' ' HIS . . . . . . . . . . . . . 95.9 m-70 -92.24 -15.1 27.95 Favored 'General case' 0 C--N 1.322 -0.628 0 C-N-CA 120.363 -0.535 . . . . 0.0 110.892 -178.408 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 63' ' ' ARG . . . . . . . . . . . . . 5.4 tpm_? -73.34 -49.67 26.11 Favored 'General case' 0 C--N 1.324 -0.512 0 N-CA-C 109.074 -0.713 . . . . 0.0 109.074 172.403 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 16.9 ptpt -64.29 -29.38 70.47 Favored 'General case' 0 C--N 1.332 -0.184 0 CA-C-N 115.823 -0.626 . . . . 0.0 110.198 176.727 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -66.31 -44.88 82.17 Favored 'General case' 0 CA--C 1.532 0.264 0 CA-C-N 116.084 -0.507 . . . . 0.0 110.052 176.339 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 5.2 tt -59.49 -45.27 92.15 Favored 'General case' 0 C--O 1.236 0.343 0 N-CA-C 109.476 -0.564 . . . . 0.0 109.476 178.249 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -54.22 -49.98 68.19 Favored 'General case' 0 C--N 1.332 -0.168 0 CA-C-N 115.747 -0.661 . . . . 0.0 110.37 173.888 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 68' ' ' GLN . . . . . . . . . . . . . 42.9 mt-30 -55.59 -60.64 3.14 Favored 'General case' 0 C--N 1.326 -0.45 0 CA-C-N 116.019 -0.537 . . . . 0.0 112.252 -179.108 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 48.1 mt-10 -59.27 -47.23 86.13 Favored 'General case' 0 C--O 1.235 0.336 0 CA-C-O 120.981 0.42 . . . . 0.0 111.662 -173.798 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 70' ' ' MET . . . . . 0.535 ' HA ' ' HE1' ' A' ' 42' ' ' TRP . 48.2 ttm -65.72 -46.99 76.86 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-N 116.268 -0.424 . . . . 0.0 111.735 -176.104 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 71' ' ' VAL . . . . . . . . . . . . . 61.6 t -69.61 -27.27 33.14 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.43 0 C-N-CA 120.918 -0.313 . . . . 0.0 110.781 -177.717 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 72' ' ' SER . . . . . 0.461 ' OG ' ' HD2' ' A' ' 78' ' ' LYS . 24.6 m -65.79 -46.14 79.77 Favored 'General case' 0 N--CA 1.465 0.281 0 CA-C-O 120.82 0.343 . . . . 0.0 111.755 177.866 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 73' ' ' PHE . . . . . . . . . . . . . 46.5 t80 -81.84 -39.3 24.16 Favored 'General case' 0 C--N 1.325 -0.475 0 CA-C-N 116.114 -0.494 . . . . 0.0 111.669 -172.403 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 74' ' ' LEU . . . . . 0.424 ' HB3' HG13 ' A' ' 34' ' ' ILE . 95.4 mt -92.89 -40.9 10.35 Favored 'General case' 0 C--N 1.322 -0.629 0 N-CA-C 112.63 0.604 . . . . 0.0 112.63 -172.65 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 75' ' ' PHE . . . . . . . . . . . . . 30.5 t80 -105.53 -42.97 5.07 Favored 'General case' 0 C--N 1.326 -0.438 0 C-N-CA 120.807 -0.357 . . . . 0.0 111.856 -170.135 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 45.1 mt-10 65.66 15.33 10.0 Favored 'General case' 0 N--CA 1.469 0.478 0 C-N-CA 123.372 0.669 . . . . 0.0 112.129 179.79 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . -97.99 24.61 31.02 Favored Glycine 0 CA--C 1.517 0.16 0 C-N-CA 120.682 -0.77 . . . . 0.0 112.354 -178.827 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 78' ' ' LYS . . . . . 0.461 ' HD2' ' OG ' ' A' ' 72' ' ' SER . 0.0 OUTLIER -125.92 144.35 50.72 Favored 'General case' 0 C--N 1.321 -0.642 0 N-CA-C 110.136 -0.32 . . . . 0.0 110.136 179.46 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 79' ' ' ASP . . . . . . . . . . . . . 11.6 p-10 -107.6 1.7 23.45 Favored 'General case' 0 C--N 1.321 -0.636 0 CA-C-N 116.25 -0.432 . . . . 0.0 111.226 -177.703 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 80' ' ' VAL . . . . . . . . . . . . . 22.0 t -69.34 104.46 0.97 Allowed 'Isoleucine or valine' 0 C--N 1.327 -0.413 0 CA-C-N 116.635 -0.257 . . . . 0.0 110.554 -178.429 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 81' ' ' HIS . . . . . . . . . . . . . 6.6 p80 -63.25 125.08 22.93 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-O 121.001 0.429 . . . . 0.0 111.941 -177.032 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 82' ' ' ILE . . . . . . . . . . . . . 33.1 mt -96.86 132.83 40.37 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.259 0 CA-C-N 115.808 -0.633 . . . . 0.0 109.973 178.122 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 5.2 pt-20 -157.66 33.34 0.27 Allowed 'General case' 0 C--N 1.322 -0.601 0 CA-C-O 121.11 0.481 . . . . 0.0 110.099 179.905 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 84' ' ' GLY . . . . . . . . . . . . . . . 89.63 -96.08 2.17 Favored Glycine 0 N--CA 1.447 -0.568 0 CA-C-N 115.357 -0.838 . . . . 0.0 111.287 -177.545 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 85' ' ' TYR . . . . . . . . . . . . . 69.4 m-85 -121.15 102.7 8.48 Favored 'General case' 0 C--N 1.32 -0.7 0 CA-C-O 121.024 0.44 . . . . 0.0 109.98 176.676 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 86' ' ' THR . . . . . 0.402 ' HA ' ' HD3' ' A' ' 87' ' ' PRO . 10.0 t -112.08 139.84 22.84 Favored Pre-proline 0 C--N 1.319 -0.735 0 CA-C-N 115.908 -0.587 . . . . 0.0 109.572 -178.8 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 87' ' ' PRO . . . . . 0.402 ' HD3' ' HA ' ' A' ' 86' ' ' THR . 34.0 Cg_exo -59.26 110.66 0.73 Allowed 'Trans proline' 0 C--O 1.235 0.342 0 C-N-CA 122.567 2.178 . . . . 0.0 112.419 179.094 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 88' ' ' GLU . . . . . . . . . . . . . 52.6 tt0 -84.08 81.98 8.56 Favored 'General case' 0 C--N 1.322 -0.604 0 N-CA-C 109.3 -0.63 . . . . 0.0 109.3 177.163 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 89' ' ' ASP . . . . . . . . . . . . . 20.7 t70 -99.31 -64.65 1.02 Allowed 'General case' 0 C--N 1.324 -0.507 0 CA-C-N 115.552 -0.749 . . . . 0.0 111.288 -173.395 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 36.0 ttpt -69.26 115.45 8.55 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 116.317 -0.401 . . . . 0.0 110.301 -178.246 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 91' ' ' LYS . . . . . . . . . . . . . 14.8 tppt? . . . . . 0 C--O 1.25 1.085 0 CA-C-O 118.174 -0.917 . . . . 0.0 109.661 179.501 . . . . . . . . 0 0 . 1 . 016 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 56.9 mtt . . . . . 0 N--CA 1.481 1.085 0 N-CA-C 110.132 -0.322 . . . . 0.0 110.132 . . . . . . . . . 0 0 . 1 . 016 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 33.8 m -127.85 111.24 13.39 Favored 'General case' 0 C--N 1.322 -0.614 0 CA-C-N 116.422 -0.354 . . . . 0.0 110.727 179.737 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 3' ' ' ARG . . . . . . . . . . . . . 16.6 ptm180 -81.74 116.06 21.27 Favored 'General case' 0 N--CA 1.448 -0.539 0 N-CA-C 108.12 -1.067 . . . . 0.0 108.12 171.608 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 9.5 m -78.03 109.4 12.06 Favored 'General case' 0 C--N 1.317 -0.82 0 CA-C-N 115.777 -0.647 . . . . 0.0 110.9 -172.655 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 5' ' ' ILE . . . . . . . . . . . . . 2.6 pp -123.8 164.89 21.11 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.754 0 CA-C-N 115.457 -0.792 . . . . 0.0 110.385 -179.494 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 6' ' ' PHE . . . . . . . . . . . . . 86.2 m-85 -99.76 97.31 8.26 Favored 'General case' 0 C--N 1.32 -0.687 0 N-CA-C 109.508 -0.552 . . . . 0.0 109.508 176.28 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 7' ' ' CYS . . . . . 0.665 ' SG ' ' HB2' ' A' ' 10' ' ' LEU . 16.9 p -67.51 142.68 56.49 Favored 'General case' 0 C--N 1.322 -0.592 0 CA-C-N 115.345 -0.843 . . . . 0.0 111.573 -174.489 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 6.8 m -69.75 -27.13 64.68 Favored 'General case' 0 C--N 1.324 -0.54 0 CA-C-N 115.962 -0.563 . . . . 0.0 111.525 -177.872 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 9' ' ' TYR . . . . . . . . . . . . . 72.1 t80 -74.25 -53.22 10.22 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-N 116.517 -0.31 . . . . 0.0 111.264 -177.696 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 10' ' ' LEU . . . . . 0.665 ' HB2' ' SG ' ' A' ' 7' ' ' CYS . 89.9 mt -90.13 -18.58 25.56 Favored 'General case' 0 C--N 1.331 -0.236 0 N-CA-C 111.593 0.22 . . . . 0.0 111.593 -176.608 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 28.4 mm-40 68.52 9.15 7.12 Favored 'General case' 0 N--CA 1.469 0.513 0 C-N-CA 122.837 0.455 . . . . 0.0 111.716 179.322 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 49.2 mtt180 -131.02 -171.34 2.55 Favored 'General case' 0 C--N 1.327 -0.403 0 N-CA-C 110.455 -0.202 . . . . 0.0 110.455 -178.714 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 5.0 p-10 -65.19 136.3 56.48 Favored 'General case' 0 C--O 1.234 0.25 0 CA-C-O 121.243 0.544 . . . . 0.0 111.289 -176.178 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -156.98 179.36 9.37 Favored 'General case' 0 C--N 1.319 -0.737 0 CA-C-N 115.336 -0.847 . . . . 0.0 109.315 177.45 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 12.8 pt-20 -104.82 154.68 19.72 Favored 'General case' 0 C--N 1.323 -0.579 0 N-CA-C 110.198 -0.297 . . . . 0.0 110.198 -178.946 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . -61.12 134.99 48.75 Favored Glycine 0 N--CA 1.445 -0.705 0 C-N-CA 120.821 -0.704 . . . . 0.0 111.828 175.035 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 17' ' ' GLN . . . . . . . . . . . . . 0.8 OUTLIER -59.3 -43.0 92.64 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-O 120.918 0.389 . . . . 0.0 110.191 -178.502 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 3.7 t70 -177.18 -163.6 0.09 Allowed 'General case' 0 C--N 1.328 -0.348 0 N-CA-C 108.982 -0.747 . . . . 0.0 108.982 178.361 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -114.11 -171.95 2.0 Favored 'General case' 0 C--N 1.323 -0.585 0 N-CA-C 109.897 -0.409 . . . . 0.0 109.897 -179.213 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 15.4 mm100 -79.46 93.95 5.48 Favored 'General case' 0 C--N 1.322 -0.615 0 CA-C-O 120.98 0.419 . . . . 0.0 110.797 -179.031 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -85.45 -56.34 3.56 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-N 115.972 -0.558 . . . . 0.0 109.989 178.487 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 22' ' ' TYR . . . . . 0.478 ' HB2' ' HD3' ' A' ' 23' ' ' PRO . 98.5 m-85 -133.83 -49.63 0.03 OUTLIER Pre-proline 0 CA--C 1.537 0.453 0 CA-C-N 115.925 -0.58 . . . . 0.0 112.199 -177.155 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 23' ' ' PRO . . . . . 0.478 ' HD3' ' HB2' ' A' ' 22' ' ' TYR . 22.9 Cg_exo -65.65 165.1 24.13 Favored 'Trans proline' 0 C--N 1.359 1.101 0 C-N-CA 122.002 1.801 . . . . 0.0 112.356 -178.299 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -112.02 -107.37 2.91 Favored Glycine 0 N--CA 1.448 -0.551 0 C-N-CA 120.77 -0.729 . . . . 0.0 112.898 -177.07 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 25' ' ' GLU . . . . . 0.411 ' HA ' ' HE2' ' A' ' 28' ' ' LYS . 16.7 pt-20 -61.1 -42.92 99.4 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.684 0.278 . . . . 0.0 111.65 -174.773 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 58.1 tp -70.45 -32.95 70.72 Favored 'General case' 0 C--N 1.326 -0.451 0 N-CA-C 109.535 -0.543 . . . . 0.0 109.535 179.376 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . -59.83 -58.87 11.96 Favored Glycine 0 N--CA 1.445 -0.754 0 CA-C-N 115.485 -0.78 . . . . 0.0 112.099 179.644 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 28' ' ' LYS . . . . . 0.411 ' HE2' ' HA ' ' A' ' 25' ' ' GLU . 61.5 pttt -60.81 -37.97 83.81 Favored 'General case' 0 C--N 1.326 -0.451 0 CA-C-O 120.391 0.138 . . . . 0.0 110.709 -177.084 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 75.4 ttt180 -56.35 -49.28 74.84 Favored 'General case' 0 C--O 1.226 -0.176 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.341 179.166 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 30' ' ' ILE . . . . . 0.425 ' O ' ' HB ' ' A' ' 34' ' ' ILE . 84.0 mt -73.14 -45.79 52.76 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.589 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.292 -178.339 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 31' ' ' TYR . . . . . . . . . . . . . 21.0 m-85 -63.59 -26.23 68.59 Favored 'General case' 0 C--N 1.325 -0.493 0 N-CA-C 112.734 0.642 . . . . 0.0 112.734 -173.732 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 32' ' ' ASN . . . . . . . . . . . . . 0.0 OUTLIER -103.73 0.25 30.27 Favored 'General case' 0 N--CA 1.465 0.314 0 C-N-CA 120.231 -0.588 . . . . 0.0 111.978 179.562 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 48.9 mt-10 -120.41 -4.11 9.9 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 121.072 0.463 . . . . 0.0 110.897 178.088 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 34' ' ' ILE . . . . . 0.425 ' HB ' ' O ' ' A' ' 30' ' ' ILE . 4.7 mm -129.45 137.5 56.73 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.528 0 CA-C-O 121.187 0.518 . . . . 0.0 110.827 -179.177 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 47.2 t -94.57 169.98 9.8 Favored 'General case' 0 C--N 1.322 -0.607 0 CA-C-N 115.304 -0.862 . . . . 0.0 110.733 -178.418 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 33.6 mmtp -53.55 -44.28 69.11 Favored 'General case' 0 C--N 1.324 -0.519 0 CA-C-N 115.025 -0.989 . . . . 0.0 110.919 178.706 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 37' ' ' ASP . . . . . 0.45 ' O ' ' HG3' ' A' ' 41' ' ' GLN . 3.2 p-10 -68.0 -48.63 65.23 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-N 115.488 -0.778 . . . . 0.0 111.471 -176.607 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -59.65 -41.46 90.6 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-O 120.711 0.291 . . . . 0.0 111.114 -179.903 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 39' ' ' TRP . . . . . . . . . . . . . 57.6 t-105 -66.5 -42.8 86.83 Favored 'General case' 0 C--O 1.233 0.212 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.205 177.762 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -59.47 -46.76 87.87 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 115.823 -0.626 . . . . 0.0 110.738 179.646 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 41' ' ' GLN . . . . . 0.45 ' HG3' ' O ' ' A' ' 37' ' ' ASP . 27.5 mt-30 -57.32 -45.65 84.02 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 115.972 -0.558 . . . . 0.0 110.63 178.483 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 42' ' ' TRP . . . . . . . . . . . . . 8.2 t-105 -62.52 -59.06 5.48 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 115.764 -0.653 . . . . 0.0 111.603 -176.897 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 43' ' ' GLN . . . . . . . . . . . . . 4.4 mt-30 -65.24 -29.97 70.81 Favored 'General case' 0 C--N 1.327 -0.372 0 C-N-CA 120.789 -0.364 . . . . 0.0 111.614 -176.343 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 44' ' ' HIS . . . . . . . . . . . . . 20.4 t-80 -67.16 -47.78 69.97 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-O 120.916 0.388 . . . . 0.0 109.997 178.133 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 17.5 tppt? -61.74 -44.79 96.22 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 115.646 -0.706 . . . . 0.0 110.13 176.111 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 46' ' ' GLN . . . . . . . . . . . . . 33.9 tt0 -57.94 -48.6 79.44 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 115.476 -0.784 . . . . 0.0 111.161 179.362 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 99.9 m -53.18 -44.91 68.28 Favored 'General case' 0 C--O 1.236 0.356 0 CA-C-O 120.866 0.365 . . . . 0.0 111.086 178.437 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 48' ' ' MET . . . . . . . . . . . . . 43.1 tpp -63.25 -50.54 69.77 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.043 -0.526 . . . . 0.0 111.049 -179.785 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 10.2 mp -65.5 -36.91 85.25 Favored 'General case' 0 C--N 1.326 -0.419 0 N-CA-C 112.042 0.386 . . . . 0.0 112.042 -176.933 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 50' ' ' ILE . . . . . . . . . . . . . 1.5 mp -64.91 -35.62 75.75 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.4 0 CA-C-N 116.629 -0.26 . . . . 0.0 111.178 -179.797 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 51' ' ' ASN . . . . . . . . . . . . . 38.9 m-80 -86.3 -23.55 26.25 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-O 120.865 0.364 . . . . 0.0 110.834 179.781 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 38.0 tt0 -76.59 -56.43 4.62 Favored 'General case' 0 C--N 1.325 -0.482 0 CA-C-N 115.882 -0.599 . . . . 0.0 110.843 178.548 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 66.7 mttm -83.18 -7.28 59.64 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 115.766 -0.652 . . . . 0.0 111.005 -175.023 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 44.3 mtmt 60.99 67.38 0.81 Allowed 'General case' 0 N--CA 1.465 0.28 0 CA-C-N 115.825 -0.625 . . . . 0.0 110.682 179.858 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 54.4 mt -103.11 127.53 50.35 Favored 'General case' 0 C--N 1.324 -0.506 0 CA-C-N 115.653 -0.703 . . . . 0.0 109.991 -178.579 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 56' ' ' ASN . . . . . . . . . . . . . 20.2 m120 -108.84 139.71 43.29 Favored 'General case' 0 C--N 1.322 -0.619 0 CA-C-N 116.474 -0.33 . . . . 0.0 110.654 178.111 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 57' ' ' MET . . . . . . . . . . . . . 1.1 mpt? -84.65 10.61 10.73 Favored 'General case' 0 C--N 1.324 -0.527 0 CA-C-N 115.936 -0.575 . . . . 0.0 110.461 179.649 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 58' ' ' MET . . . . . . . . . . . . . 60.9 mtt -71.51 -28.85 64.18 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-N 115.577 -0.738 . . . . 0.0 109.527 175.101 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 59' ' ' ASN . . . . . . . . . . . . . 17.6 m120 -101.38 126.6 48.17 Favored 'General case' 0 C--N 1.326 -0.439 0 CA-C-N 115.569 -0.741 . . . . 0.0 109.963 178.06 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -64.39 -19.26 65.38 Favored 'General case' 0 C--N 1.326 -0.449 0 CA-C-O 120.965 0.412 . . . . 0.0 110.892 179.994 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 38.2 mt-10 -53.53 -54.03 43.06 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 115.728 -0.669 . . . . 0.0 110.609 176.672 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 62' ' ' HIS . . . . . . . . . . . . . 98.0 m-70 -80.19 -17.64 51.83 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.028 -0.533 . . . . 0.0 110.47 -176.971 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 63' ' ' ARG . . . . . 0.421 ' O ' ' HG ' ' A' ' 66' ' ' LEU . 29.8 tpt180 -65.16 -54.72 25.36 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.019 -0.537 . . . . 0.0 110.375 176.935 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 64' ' ' LYS . . . . . 0.439 ' O ' ' HG3' ' A' ' 68' ' ' GLN . 23.6 pttm -73.91 -22.78 59.57 Favored 'General case' 0 C--N 1.329 -0.297 0 C-N-CA 120.268 -0.573 . . . . 0.0 110.32 179.881 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 1.5 tm? -61.83 -48.73 79.25 Favored 'General case' 0 C--N 1.331 -0.204 0 N-CA-C 109.611 -0.515 . . . . 0.0 109.611 176.416 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 66' ' ' LEU . . . . . 0.421 ' HG ' ' O ' ' A' ' 63' ' ' ARG . 2.1 pp -73.8 -21.31 60.19 Favored 'General case' 0 C--N 1.33 -0.242 0 C-N-CA 120.919 -0.313 . . . . 0.0 110.468 -179.356 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 35.6 tt0 -65.75 -45.77 81.35 Favored 'General case' 0 C--O 1.234 0.265 0 N-CA-C 109.105 -0.702 . . . . 0.0 109.105 174.115 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 68' ' ' GLN . . . . . 0.439 ' HG3' ' O ' ' A' ' 64' ' ' LYS . 49.9 mt-30 -56.34 -48.9 75.82 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 115.377 -0.829 . . . . 0.0 110.2 174.704 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 6.1 mm-40 -59.63 -42.2 92.19 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 115.853 -0.612 . . . . 0.0 111.207 178.922 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 70' ' ' MET . . . . . . . . . . . . . 52.3 ttm -58.75 -50.15 75.0 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 115.858 -0.61 . . . . 0.0 110.653 -178.415 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 71' ' ' VAL . . . . . . . . . . . . . 58.8 t -61.06 -37.96 78.51 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.368 0 CA-C-N 115.952 -0.567 . . . . 0.0 110.372 178.322 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 72' ' ' SER . . . . . 0.472 ' OG ' ' HE3' ' A' ' 78' ' ' LYS . 20.7 m -70.23 -44.5 68.43 Favored 'General case' 0 C--N 1.325 -0.464 0 CA-C-N 116.039 -0.528 . . . . 0.0 111.94 -176.083 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 73' ' ' PHE . . . . . . . . . . . . . 37.4 t80 -75.77 -36.71 59.75 Favored 'General case' 0 C--N 1.322 -0.628 0 CA-C-O 120.824 0.345 . . . . 0.0 111.24 -175.535 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 74' ' ' LEU . . . . . . . . . . . . . 69.2 mt -87.75 -43.31 11.98 Favored 'General case' 0 C--N 1.325 -0.462 0 N-CA-C 112.325 0.491 . . . . 0.0 112.325 -173.686 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 75' ' ' PHE . . . . . . . . . . . . . 87.1 t80 -110.96 -44.03 3.67 Favored 'General case' 0 C--N 1.325 -0.476 0 CA-C-O 120.788 0.328 . . . . 0.0 111.131 -175.893 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 76' ' ' GLU . . . . . 0.402 ' HB2' ' O ' ' A' ' 72' ' ' SER . 6.6 tp10 53.03 77.6 0.16 Allowed 'General case' 0 C--N 1.325 -0.499 0 CA-C-N 115.212 -0.904 . . . . 0.0 111.15 -174.141 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . -151.08 31.76 0.97 Allowed Glycine 0 N--CA 1.443 -0.886 0 N-CA-C 109.889 -1.284 . . . . 0.0 109.889 175.173 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 78' ' ' LYS . . . . . 0.472 ' HE3' ' OG ' ' A' ' 72' ' ' SER . 2.6 pptp? -103.9 156.76 17.58 Favored 'General case' 0 C--N 1.325 -0.476 0 CA-C-N 114.983 -0.608 . . . . 0.0 111.164 -175.071 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 79' ' ' ASP . . . . . . . . . . . . . 5.7 p-10 -129.75 13.89 5.88 Favored 'General case' 0 C--N 1.323 -0.575 0 CA-C-N 115.876 -0.602 . . . . 0.0 109.582 171.887 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 80' ' ' VAL . . . . . . . . . . . . . 14.1 t -75.55 145.55 10.55 Favored 'Isoleucine or valine' 0 C--O 1.233 0.199 0 CA-C-N 115.547 -0.751 . . . . 0.0 109.462 179.02 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 81' ' ' HIS . . . . . . . . . . . . . 51.6 m-70 -84.62 103.6 13.88 Favored 'General case' 0 C--N 1.325 -0.47 0 CA-C-O 121.107 0.48 . . . . 0.0 111.238 -173.261 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 82' ' ' ILE . . . . . 0.43 HG12 ' HB3' ' A' ' 68' ' ' GLN . 32.8 mt -88.8 86.15 2.58 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.633 0 N-CA-C 109.089 -0.708 . . . . 0.0 109.089 175.766 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 46.4 mm-40 -118.67 0.25 11.45 Favored 'General case' 0 C--N 1.321 -0.637 0 CA-C-N 115.73 -0.668 . . . . 0.0 110.95 -174.424 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 84' ' ' GLY . . . . . . . . . . . . . . . 79.51 -50.61 3.83 Favored Glycine 0 N--CA 1.451 -0.34 0 C-N-CA 120.558 -0.83 . . . . 0.0 111.404 -173.402 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 85' ' ' TYR . . . . . . . . . . . . . 97.4 m-85 -111.42 94.28 4.89 Favored 'General case' 0 C--N 1.326 -0.443 0 N-CA-C 109.84 -0.43 . . . . 0.0 109.84 174.274 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 86' ' ' THR . . . . . . . . . . . . . 10.0 t -131.0 135.98 28.18 Favored Pre-proline 0 C--N 1.321 -0.656 0 CA-C-N 116.35 -0.386 . . . . 0.0 110.042 179.858 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 87' ' ' PRO . . . . . . . . . . . . . 83.8 Cg_endo -87.2 26.34 0.62 Allowed 'Trans proline' 0 N--CA 1.457 -0.619 0 C-N-CA 122.849 2.366 . . . . 0.0 112.432 -179.661 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 88' ' ' GLU . . . . . . . . . . . . . 46.2 mt-10 -82.97 63.59 7.14 Favored 'General case' 0 C--N 1.323 -0.567 0 CA-C-O 121.435 0.636 . . . . 0.0 110.62 179.129 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 89' ' ' ASP . . . . . . . . . . . . . 7.5 m-20 -73.16 -45.99 53.43 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 115.398 -0.819 . . . . 0.0 109.727 177.19 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 47.7 tttm -82.57 147.52 28.57 Favored 'General case' 0 C--N 1.322 -0.601 0 CA-C-N 115.167 -0.924 . . . . 0.0 109.92 178.212 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 91' ' ' LYS . . . . . . . . . . . . . 17.8 ptpt . . . . . 0 C--O 1.251 1.14 0 CA-C-O 118.073 -0.965 . . . . 0.0 110.039 175.838 . . . . . . . . 0 0 . 1 . 017 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 73.1 mtm . . . . . 0 N--CA 1.481 1.117 0 CA-C-O 120.87 0.366 . . . . 0.0 110.519 . . . . . . . . . 0 0 . 1 . 017 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 24.0 m -84.57 -60.84 1.95 Allowed 'General case' 0 C--N 1.325 -0.496 0 CA-C-O 120.95 0.405 . . . . 0.0 110.355 178.468 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 3' ' ' ARG . . . . . 0.419 ' HG2' HG22 ' A' ' 5' ' ' ILE . 63.8 ttt180 -144.21 102.03 3.8 Favored 'General case' 0 C--N 1.325 -0.468 0 CA-C-N 116.328 -0.397 . . . . 0.0 110.621 -178.125 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 15.1 p -72.0 112.23 7.91 Favored 'General case' 0 C--O 1.237 0.415 0 CA-C-O 120.849 0.357 . . . . 0.0 110.46 176.192 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 5' ' ' ILE . . . . . 0.419 HG22 ' HG2' ' A' ' 3' ' ' ARG . 2.3 pp -134.55 170.04 20.38 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.573 0 CA-C-N 116.075 -0.511 . . . . 0.0 111.385 -178.267 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 6' ' ' PHE . . . . . . . . . . . . . 88.2 m-85 -101.8 104.19 14.95 Favored 'General case' 0 C--N 1.32 -0.702 0 N-CA-C 109.283 -0.636 . . . . 0.0 109.283 174.465 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 7' ' ' CYS . . . . . 0.458 ' O ' ' HA ' ' A' ' 11' ' ' GLN . 41.9 t -60.18 145.84 45.57 Favored 'General case' 0 C--N 1.324 -0.52 0 CA-C-N 115.742 -0.663 . . . . 0.0 111.168 -176.366 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 1.0 OUTLIER -72.75 -40.2 66.23 Favored 'General case' 0 C--N 1.324 -0.513 0 CA-C-O 120.881 0.372 . . . . 0.0 111.948 179.024 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 9' ' ' TYR . . . . . . . . . . . . . 89.8 t80 -85.24 -44.08 13.2 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.365 -0.38 . . . . 0.0 111.105 -178.302 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 10' ' ' LEU . . . . . 0.411 ' HB2' ' HB3' ' A' ' 7' ' ' CYS . 52.0 mt -80.19 -35.86 35.79 Favored 'General case' 0 C--N 1.329 -0.322 0 C-N-CA 120.853 -0.339 . . . . 0.0 110.436 -178.947 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 11' ' ' GLN . . . . . 0.458 ' HA ' ' O ' ' A' ' 7' ' ' CYS . 74.5 mt-30 52.8 44.66 30.01 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-O 122.09 0.948 . . . . 0.0 111.576 -177.797 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 14.5 ptt180 -133.12 174.61 10.19 Favored 'General case' 0 C--N 1.321 -0.645 0 CA-C-N 114.155 -1.384 . . . . 0.0 108.171 174.623 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 18.7 t70 -69.11 109.88 4.24 Favored 'General case' 0 C--N 1.322 -0.601 0 N-CA-C 108.553 -0.906 . . . . 0.0 108.553 172.214 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -129.34 179.51 5.74 Favored 'General case' 0 C--N 1.318 -0.794 0 CA-C-O 121.266 0.555 . . . . 0.0 111.679 -173.21 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 6.8 tp10 -101.73 131.94 47.72 Favored 'General case' 0 N--CA 1.445 -0.716 0 CA-C-N 115.19 -0.913 . . . . 0.0 110.014 -179.699 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . -58.92 123.57 33.93 Favored Glycine 0 N--CA 1.444 -0.793 0 N-CA-C 110.36 -1.096 . . . . 0.0 110.36 171.9 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 17' ' ' GLN . . . . . 0.455 ' O ' ' HE3' ' A' ' 36' ' ' LYS . 1.3 tt0 -48.41 -60.59 2.55 Favored 'General case' 0 C--N 1.331 -0.196 0 CA-C-O 120.676 0.274 . . . . 0.0 111.289 -173.231 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 2.0 t70 -170.29 -163.38 0.34 Allowed 'General case' 0 C--N 1.325 -0.499 0 N-CA-C 108.967 -0.753 . . . . 0.0 108.967 178.23 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 94.7 m-85 -118.13 -163.27 0.93 Allowed 'General case' 0 C--N 1.321 -0.646 0 CA-C-O 120.717 0.294 . . . . 0.0 110.895 -178.111 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 15.7 mm100 -76.77 92.61 3.59 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-O 121.085 0.469 . . . . 0.0 110.979 -178.3 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 21' ' ' LEU . . . . . 0.408 HD12 ' H ' ' A' ' 22' ' ' TYR . 0.3 OUTLIER -107.05 -32.28 7.92 Favored 'General case' 0 C--N 1.321 -0.663 0 CA-C-N 115.639 -0.71 . . . . 0.0 112.081 178.97 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 22' ' ' TYR . . . . . 0.408 ' H ' HD12 ' A' ' 21' ' ' LEU . 64.4 m-85 -146.52 -48.85 0.02 OUTLIER Pre-proline 0 CA--C 1.538 0.509 0 N-CA-C 113.175 0.806 . . . . 0.0 113.175 -176.295 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 23' ' ' PRO . . . . . . . . . . . . . 11.1 Cg_exo -72.52 173.95 12.43 Favored 'Trans proline' 0 C--N 1.354 0.841 0 C-N-CA 121.711 1.607 . . . . 0.0 113.099 -178.137 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -89.87 -147.82 17.93 Favored Glycine 0 N--CA 1.45 -0.416 0 CA-C-N 115.739 -0.664 . . . . 0.0 111.765 179.704 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 39.0 tt0 -54.61 -42.28 70.99 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-O 120.609 0.242 . . . . 0.0 111.408 -178.52 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 26' ' ' LEU . . . . . 0.408 HD22 ' HD3' ' A' ' 29' ' ' ARG . 87.1 mt -60.25 -24.32 64.79 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.343 -0.39 . . . . 0.0 111.101 -179.614 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . -59.49 -60.38 8.88 Favored Glycine 0 N--CA 1.443 -0.876 0 C-N-CA 120.918 -0.658 . . . . 0.0 111.663 176.98 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 22.6 pttp -74.22 -24.72 59.37 Favored 'General case' 0 C--N 1.326 -0.424 0 O-C-N 122.7 -0.294 . . . . 0.0 110.757 -177.01 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 29' ' ' ARG . . . . . 0.408 ' HD3' HD22 ' A' ' 26' ' ' LEU . 75.0 ttt180 -66.77 -23.24 66.05 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-O 121.157 0.503 . . . . 0.0 110.279 176.908 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 30' ' ' ILE . . . . . . . . . . . . . 95.7 mt -96.92 -47.57 12.68 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.557 0 CA-C-N 116.244 -0.435 . . . . 0.0 111.291 174.175 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 31' ' ' TYR . . . . . . . . . . . . . 12.5 m-30 -65.23 -14.24 60.19 Favored 'General case' 0 N--CA 1.47 0.555 0 N-CA-C 112.541 0.571 . . . . 0.0 112.541 -173.394 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 32' ' ' ASN . . . . . . . . . . . . . 36.1 p-10 -82.9 -21.03 34.34 Favored 'General case' 0 C--N 1.323 -0.58 0 O-C-N 122.351 -0.218 . . . . 0.0 111.24 -178.494 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 33' ' ' GLU . . . . . 0.407 ' O ' ' HA ' ' A' ' 7' ' ' CYS . 46.1 mt-10 -131.82 16.35 4.76 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 120.923 0.392 . . . . 0.0 111.331 -179.314 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 34' ' ' ILE . . . . . . . . . . . . . 9.2 mm -126.29 131.26 71.7 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 CA-C-O 121.175 0.512 . . . . 0.0 110.513 175.92 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 33.9 t -90.38 163.13 14.81 Favored 'General case' 0 C--N 1.323 -0.57 0 CA-C-N 115.549 -0.751 . . . . 0.0 110.142 177.953 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 36' ' ' LYS . . . . . 0.455 ' HE3' ' O ' ' A' ' 17' ' ' GLN . 34.2 mmtp -51.07 -36.19 38.79 Favored 'General case' 0 C--N 1.326 -0.449 0 CA-C-N 115.546 -0.752 . . . . 0.0 110.657 174.946 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 37' ' ' ASP . . . . . 0.628 ' O ' ' HG3' ' A' ' 41' ' ' GLN . 9.4 m-20 -56.46 -62.92 1.39 Allowed 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 115.411 -0.813 . . . . 0.0 110.778 -179.596 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -62.1 -35.89 80.07 Favored 'General case' 0 C--N 1.331 -0.2 0 CA-C-N 115.696 -0.683 . . . . 0.0 111.385 -177.047 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 39' ' ' TRP . . . . . . . . . . . . . 73.8 t-105 -62.63 -43.56 98.49 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.506 177.822 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -67.3 -41.67 84.98 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.064 -0.516 . . . . 0.0 110.788 179.44 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 41' ' ' GLN . . . . . 0.628 ' HG3' ' O ' ' A' ' 37' ' ' ASP . 89.1 mt-30 -57.46 -44.95 85.21 Favored 'General case' 0 C--O 1.235 0.297 0 CA-C-N 115.947 -0.57 . . . . 0.0 110.181 177.671 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 42' ' ' TRP . . . . . 0.442 ' CZ3' ' HE2' ' A' ' 45' ' ' LYS . 22.7 t-105 -68.82 -49.21 60.36 Favored 'General case' 0 N--CA 1.444 -0.735 0 CA-C-N 115.533 -0.758 . . . . 0.0 111.47 -175.815 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 43' ' ' GLN . . . . . . . . . . . . . 58.8 mt-30 -60.54 -35.64 76.5 Favored 'General case' 0 C--N 1.328 -0.327 0 C-N-CA 120.986 -0.286 . . . . 0.0 110.556 179.943 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 44' ' ' HIS . . . . . . . . . . . . . 65.8 t60 -60.94 -50.87 71.67 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-O 120.796 0.331 . . . . 0.0 110.438 177.577 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 45' ' ' LYS . . . . . 0.442 ' HE2' ' CZ3' ' A' ' 42' ' ' TRP . 0.3 OUTLIER -63.44 -49.42 73.76 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.273 -0.421 . . . . 0.0 110.374 -179.153 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 46' ' ' GLN . . . . . 0.445 ' O ' HG13 ' A' ' 50' ' ' ILE . 42.3 tp60 -64.26 -47.9 77.79 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.392 -0.367 . . . . 0.0 111.382 -173.695 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 62.6 m -59.76 -33.24 71.42 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.715 -179.597 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 48' ' ' MET . . . . . . . . . . . . . 53.7 tpp -59.69 -50.45 73.8 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.28 -0.418 . . . . 0.0 110.632 176.656 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 45.8 mt -65.21 -37.74 88.24 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-O 120.885 0.374 . . . . 0.0 110.413 -177.954 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 50' ' ' ILE . . . . . 0.445 HG13 ' O ' ' A' ' 46' ' ' GLN . 73.2 mt -59.29 -38.16 73.12 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.359 0 CA-C-N 115.8 -0.637 . . . . 0.0 110.934 178.158 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 51' ' ' ASN . . . . . . . . . . . . . 38.4 m-80 -81.23 -34.77 31.96 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-N 116.502 -0.317 . . . . 0.0 111.371 -179.825 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 34.1 mt-10 -66.06 -44.34 84.82 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.731 0.3 . . . . 0.0 111.242 178.486 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 67.0 mttm -86.68 -18.51 31.09 Favored 'General case' 0 C--N 1.326 -0.454 0 CA-C-N 116.378 -0.374 . . . . 0.0 110.961 -179.072 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 97.1 mttt 55.65 63.74 1.97 Allowed 'General case' 0 C--O 1.234 0.274 0 CA-C-N 115.679 -0.692 . . . . 0.0 110.339 -177.672 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 55' ' ' LEU . . . . . 0.526 HD13 ' O ' ' A' ' 55' ' ' LEU . 3.0 pp -112.95 135.25 53.92 Favored 'General case' 0 C--N 1.323 -0.552 0 CA-C-N 115.603 -0.726 . . . . 0.0 111.493 -176.081 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 56' ' ' ASN . . . . . 0.537 HD21 ' N ' ' A' ' 57' ' ' MET . 0.2 OUTLIER -95.88 127.6 42.03 Favored 'General case' 0 C--N 1.323 -0.566 0 CA-C-N 115.336 -0.847 . . . . 0.0 108.847 176.897 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 57' ' ' MET . . . . . 0.537 ' N ' HD21 ' A' ' 56' ' ' ASN . 22.0 mmt -75.9 40.43 0.2 Allowed 'General case' 0 N--CA 1.466 0.36 0 N-CA-C 112.566 0.58 . . . . 0.0 112.566 -177.294 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 58' ' ' MET . . . . . 0.408 ' HG3' ' OD1' ' A' ' 59' ' ' ASN . 16.9 ptp -98.81 -6.38 29.34 Favored 'General case' 0 C--N 1.323 -0.55 0 N-CA-C 109.334 -0.617 . . . . 0.0 109.334 174.347 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 59' ' ' ASN . . . . . 0.408 ' OD1' ' HG3' ' A' ' 58' ' ' MET . 6.1 m-20 -110.9 133.84 53.04 Favored 'General case' 0 C--N 1.324 -0.505 0 CA-C-N 115.012 -0.994 . . . . 0.0 110.302 -177.86 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -62.02 -32.39 72.87 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 115.588 -0.733 . . . . 0.0 112.808 -171.662 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 26.0 mm-40 -58.39 -44.58 88.99 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-O 120.633 0.254 . . . . 0.0 111.365 -177.881 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 62' ' ' HIS . . . . . . . . . . . . . 93.5 m-70 -74.72 -32.36 62.12 Favored 'General case' 0 C--N 1.325 -0.482 0 CA-C-O 120.908 0.385 . . . . 0.0 109.998 -178.364 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 63' ' ' ARG . . . . . . . . . . . . . 29.9 ttm180 -59.93 -52.59 64.76 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 115.517 -0.765 . . . . 0.0 111.108 -178.821 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 15.7 pttm -71.55 -30.19 65.59 Favored 'General case' 0 C--N 1.329 -0.314 0 C-N-CA 120.783 -0.367 . . . . 0.0 110.627 -178.689 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 7.1 tt -62.31 -45.92 91.06 Favored 'General case' 0 C--N 1.333 -0.146 0 N-CA-C 109.551 -0.537 . . . . 0.0 109.551 179.373 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 9.8 tt -61.87 -43.63 98.47 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.061 -0.518 . . . . 0.0 110.204 177.353 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 33.1 tt0 -64.52 -40.36 95.48 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-O 120.686 0.279 . . . . 0.0 110.677 -177.353 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 68' ' ' GLN . . . . . 0.402 HE21 ' HB2' ' A' ' 68' ' ' GLN . 21.0 mt-30 -56.42 -49.58 74.14 Favored 'General case' 0 C--O 1.235 0.305 0 CA-C-N 116.357 -0.383 . . . . 0.0 110.453 176.35 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 69' ' ' GLU . . . . . 0.442 ' HB3' ' CH2' ' A' ' 42' ' ' TRP . 46.6 mt-10 -63.13 -44.24 96.12 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 121.332 0.587 . . . . 0.0 110.636 178.644 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 70' ' ' MET . . . . . . . . . . . . . 22.3 ttt -58.4 -48.44 80.66 Favored 'General case' 0 C--N 1.325 -0.457 0 CA-C-N 115.419 -0.81 . . . . 0.0 111.334 -174.667 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 71' ' ' VAL . . . . . 0.443 ' O ' ' HB3' ' A' ' 75' ' ' PHE . 65.9 t -68.01 -38.06 79.28 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.377 0 CA-C-N 116.077 -0.51 . . . . 0.0 111.306 -178.988 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 13.6 p -75.62 -18.7 59.61 Favored 'General case' 0 C--N 1.324 -0.536 0 CA-C-O 120.82 0.343 . . . . 0.0 111.768 -175.65 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 73' ' ' PHE . . . . . . . . . . . . . 61.7 t80 -99.5 -56.21 2.46 Favored 'General case' 0 C--N 1.325 -0.481 0 CA-C-O 120.748 0.309 . . . . 0.0 111.377 -179.834 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 74' ' ' LEU . . . . . . . . . . . . . 92.9 mt -72.19 -34.85 68.73 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.447 -0.342 . . . . 0.0 111.454 -174.63 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 75' ' ' PHE . . . . . 0.443 ' HB3' ' O ' ' A' ' 71' ' ' VAL . 74.2 t80 -98.12 -43.5 7.0 Favored 'General case' 0 C--N 1.326 -0.426 0 C-N-CA 120.97 -0.292 . . . . 0.0 110.722 -179.478 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 23.4 mt-10 61.89 97.51 0.03 OUTLIER 'General case' 0 N--CA 1.463 0.223 0 O-C-N 123.909 0.755 . . . . 0.0 111.103 -176.126 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . 140.51 52.01 0.05 OUTLIER Glycine 0 N--CA 1.447 -0.613 0 C-N-CA 120.23 -0.986 . . . . 0.0 112.864 178.496 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 78' ' ' LYS . . . . . 0.481 ' HD3' ' H ' ' A' ' 80' ' ' VAL . 0.0 OUTLIER -119.97 164.65 15.77 Favored 'General case' 0 C--N 1.326 -0.455 0 N-CA-C 109.876 -0.416 . . . . 0.0 109.876 174.462 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 79' ' ' ASP . . . . . . . . . . . . . 7.4 p-10 -98.21 6.49 47.4 Favored 'General case' 0 C--N 1.326 -0.415 0 N-CA-C 112.627 0.603 . . . . 0.0 112.627 -171.827 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 80' ' ' VAL . . . . . 0.481 ' H ' ' HD3' ' A' ' 78' ' ' LYS . 61.3 t -101.38 122.0 52.96 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.664 0 C-N-CA 120.962 -0.295 . . . . 0.0 111.097 -177.649 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 81' ' ' HIS . . . . . . . . . . . . . 46.7 t60 -71.29 132.42 44.88 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 115.781 -0.645 . . . . 0.0 109.942 177.045 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 82' ' ' ILE . . . . . . . . . . . . . 46.6 mm -80.12 123.09 36.47 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.623 0 CA-C-N 116.281 -0.418 . . . . 0.0 110.692 -176.758 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 39.8 mt-10 64.19 84.0 0.16 Allowed 'General case' 0 C--N 1.331 -0.2 0 CA-C-N 115.369 -0.832 . . . . 0.0 111.612 -177.378 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 84' ' ' GLY . . . . . . . . . . . . . . . -82.78 114.31 3.82 Favored Glycine 0 N--CA 1.445 -0.717 0 N-CA-C 110.714 -0.955 . . . . 0.0 110.714 173.003 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 85' ' ' TYR . . . . . 0.499 ' O ' ' HD3' ' A' ' 87' ' ' PRO . 66.0 m-85 -79.88 84.52 5.64 Favored 'General case' 0 C--N 1.323 -0.584 0 CA-C-O 120.984 0.421 . . . . 0.0 110.868 -175.298 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 86' ' ' THR . . . . . 0.631 ' HB ' ' O ' ' A' ' 89' ' ' ASP . 20.7 p -103.82 95.8 8.18 Favored Pre-proline 0 C--N 1.323 -0.561 0 CA-C-N 115.874 -0.603 . . . . 0.0 110.497 176.489 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 87' ' ' PRO . . . . . 0.499 ' HD3' ' O ' ' A' ' 85' ' ' TYR . 3.1 Cg_endo -84.17 -73.96 0.01 OUTLIER 'Trans proline' 0 N--CA 1.457 -0.671 0 C-N-CA 122.852 2.368 . . . . 0.0 112.317 -177.847 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 88' ' ' GLU . . . . . . . . . . . . . 22.2 mm-40 -80.97 -28.16 35.72 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-O 121.07 0.462 . . . . 0.0 110.323 -178.686 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 89' ' ' ASP . . . . . 0.631 ' O ' ' HB ' ' A' ' 86' ' ' THR . 17.0 t70 -82.46 109.37 16.63 Favored 'General case' 0 C--N 1.32 -0.684 0 N-CA-C 109.213 -0.662 . . . . 0.0 109.213 175.221 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 61.0 tttp -91.69 124.02 35.52 Favored 'General case' 0 C--N 1.32 -0.715 0 N-CA-C 109.579 -0.526 . . . . 0.0 109.579 178.906 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 91' ' ' LYS . . . . . 0.467 ' HZ3' ' HB2' ' A' ' 91' ' ' LYS . 0.1 OUTLIER . . . . . 0 C--O 1.249 1.05 0 CA-C-O 118.513 -0.756 . . . . 0.0 109.793 -177.39 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 25.4 ptt? . . . . . 0 N--CA 1.485 1.3 0 N-CA-C 110.256 -0.276 . . . . 0.0 110.256 . . . . . . . . . 0 0 . 1 . 018 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 25.2 t 65.3 95.79 0.05 Allowed 'General case' 0 N--CA 1.465 0.305 0 CA-C-O 121.219 0.533 . . . . 0.0 111.461 175.045 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 3' ' ' ARG . . . . . . . . . . . . . 6.3 ptm180 -131.23 98.7 4.63 Favored 'General case' 0 C--N 1.321 -0.639 0 CA-C-O 121.316 0.579 . . . . 0.0 111.139 -179.45 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 19.6 m -95.18 121.3 36.68 Favored 'General case' 0 C--N 1.322 -0.615 0 N-CA-C 109.198 -0.667 . . . . 0.0 109.198 174.46 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 5' ' ' ILE . . . . . . . . . . . . . 2.7 pp -121.14 169.65 12.18 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.637 0 CA-C-O 121.105 0.478 . . . . 0.0 111.596 -173.062 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 6' ' ' PHE . . . . . . . . . . . . . 73.2 t80 -93.12 102.26 14.57 Favored 'General case' 0 N--CA 1.446 -0.644 0 N-CA-C 108.74 -0.837 . . . . 0.0 108.74 175.371 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 7' ' ' CYS . . . . . 0.418 ' HA ' ' O ' ' A' ' 33' ' ' GLU . 50.8 t -70.54 131.36 43.87 Favored 'General case' 0 C--N 1.325 -0.472 0 CA-C-N 116.284 -0.417 . . . . 0.0 110.517 -176.321 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 9.3 p -63.36 -46.99 83.97 Favored 'General case' 0 C--N 1.321 -0.64 0 CA-C-N 115.878 -0.601 . . . . 0.0 111.624 -177.822 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 9' ' ' TYR . . . . . . . . . . . . . 87.6 t80 -69.63 -39.57 77.06 Favored 'General case' 0 C--N 1.326 -0.44 0 CA-C-N 116.341 -0.39 . . . . 0.0 111.55 -178.232 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 10' ' ' LEU . . . . . 0.405 ' HB2' ' HB3' ' A' ' 7' ' ' CYS . 99.0 mt -82.45 -27.97 31.57 Favored 'General case' 0 C--N 1.328 -0.338 0 C-N-CA 121.02 -0.272 . . . . 0.0 111.714 -175.808 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 31.9 mm-40 60.88 32.24 20.03 Favored 'General case' 0 N--CA 1.464 0.244 0 CA-C-O 121.234 0.54 . . . . 0.0 110.414 -177.239 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 60.5 mtm180 -151.38 174.64 13.1 Favored 'General case' 0 C--N 1.326 -0.443 0 CA-C-N 115.557 -0.747 . . . . 0.0 110.408 -175.678 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 8.6 m-20 -63.36 130.05 42.85 Favored 'General case' 0 CA--C 1.514 -0.421 0 O-C-N 123.476 0.485 . . . . 0.0 109.962 177.757 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 14' ' ' ALA . . . . . 0.507 ' HB1' ' HB2' ' A' ' 35' ' ' SER . . . -144.44 169.25 18.29 Favored 'General case' 0 C--N 1.315 -0.892 0 CA-C-O 120.858 0.361 . . . . 0.0 111.173 -178.643 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 35.9 tt0 -93.87 121.75 35.65 Favored 'General case' 0 C--N 1.321 -0.637 0 CA-C-N 116.127 -0.488 . . . . 0.0 109.934 -178.151 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . -61.59 143.87 48.73 Favored Glycine 0 N--CA 1.443 -0.838 0 N-CA-C 111.403 -0.679 . . . . 0.0 111.403 178.279 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 17' ' ' GLN . . . . . . . . . . . . . 18.0 mt-30 -76.09 -161.38 0.17 Allowed 'General case' 0 C--N 1.322 -0.594 0 CA-C-O 121.205 0.526 . . . . 0.0 111.423 -176.323 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 18' ' ' ASP . . . . . 0.428 ' HB2' HD11 ' A' ' 21' ' ' LEU . 14.1 m-20 -73.78 -168.62 0.61 Allowed 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 115.805 -0.634 . . . . 0.0 111.251 -179.103 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 29.0 t80 -100.37 -92.16 0.29 Allowed 'General case' 0 C--N 1.325 -0.461 0 CA-C-N 116.396 -0.366 . . . . 0.0 111.191 -173.209 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 20' ' ' GLN . . . . . 0.534 ' HA ' HE21 ' A' ' 20' ' ' GLN . 0.0 OUTLIER -134.06 108.55 8.41 Favored 'General case' 0 C--N 1.324 -0.527 0 N-CA-C 108.92 -0.77 . . . . 0.0 108.92 179.7 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 21' ' ' LEU . . . . . 0.452 ' N ' HD13 ' A' ' 21' ' ' LEU . 3.2 mp -104.02 -73.32 0.67 Allowed 'General case' 0 C--N 1.32 -0.712 0 CA-C-O 121.081 0.467 . . . . 0.0 110.185 -174.473 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 22' ' ' TYR . . . . . 0.501 ' CG ' ' HD3' ' A' ' 23' ' ' PRO . 41.7 p90 -118.54 -31.58 0.07 OUTLIER Pre-proline 0 CA--C 1.544 0.746 0 CA-C-N 115.711 -0.677 . . . . 0.0 112.472 176.571 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 23' ' ' PRO . . . . . 0.501 ' HD3' ' CG ' ' A' ' 22' ' ' TYR . 86.6 Cg_endo -88.86 176.14 3.4 Favored 'Trans proline' 0 C--N 1.362 1.262 0 CA-C-N 120.791 1.318 . . . . 0.0 111.885 174.895 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -112.42 -121.39 3.91 Favored Glycine 0 N--CA 1.444 -0.783 0 C-N-CA 120.707 -0.758 . . . . 0.0 112.285 -178.414 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 26.9 mm-40 -63.46 -44.12 95.37 Favored 'General case' 0 C--N 1.326 -0.414 0 N-CA-C 112.046 0.388 . . . . 0.0 112.046 -175.738 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 63.6 tp -64.56 -39.2 93.32 Favored 'General case' 0 C--N 1.325 -0.476 0 CA-C-O 121.163 0.506 . . . . 0.0 109.889 -178.819 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . -64.81 -48.29 73.65 Favored Glycine 0 N--CA 1.448 -0.541 0 C-N-CA 120.598 -0.81 . . . . 0.0 111.758 177.545 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 28' ' ' LYS . . . . . 0.463 ' HZ1' ' HB3' ' A' ' 28' ' ' LYS . 6.5 ttpm? -61.59 -34.53 75.79 Favored 'General case' 0 C--O 1.234 0.272 0 CA-C-O 120.947 0.404 . . . . 0.0 110.408 179.493 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 29' ' ' ARG . . . . . 0.454 ' O ' ' HG2' ' A' ' 33' ' ' GLU . 72.3 ttt180 -61.14 -37.22 82.07 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 115.782 -0.644 . . . . 0.0 110.647 178.502 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 30' ' ' ILE . . . . . . . . . . . . . 62.2 mt -77.77 -39.83 26.8 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.659 0 C-N-CA 120.802 -0.359 . . . . 0.0 110.469 177.051 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 31' ' ' TYR . . . . . . . . . . . . . 19.4 m-85 -62.69 -23.11 66.97 Favored 'General case' 0 C--N 1.329 -0.284 0 N-CA-C 112.878 0.696 . . . . 0.0 112.878 -175.298 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 32' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER -103.55 0.06 30.41 Favored 'General case' 0 C--N 1.327 -0.404 0 C-N-CA 119.855 -0.738 . . . . 0.0 112.092 -178.581 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 33' ' ' GLU . . . . . 0.454 ' HG2' ' O ' ' A' ' 29' ' ' ARG . 48.0 mm-40 -105.95 -32.61 8.24 Favored 'General case' 0 C--O 1.235 0.306 0 CA-C-O 121.452 0.644 . . . . 0.0 109.965 175.879 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 34' ' ' ILE . . . . . 0.408 HD11 ' HA ' ' A' ' 34' ' ' ILE . 9.7 mm -105.37 142.01 19.45 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.645 0 CA-C-N 115.445 -0.798 . . . . 0.0 111.044 -177.251 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 35' ' ' SER . . . . . 0.507 ' HB2' ' HB1' ' A' ' 14' ' ' ALA . 9.0 t -82.06 153.13 26.28 Favored 'General case' 0 C--N 1.322 -0.614 0 CA-C-N 115.402 -0.817 . . . . 0.0 110.087 177.291 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 99.1 mttt -53.3 -29.93 36.13 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.056 -0.52 . . . . 0.0 110.274 174.787 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 37' ' ' ASP . . . . . 0.63 ' O ' ' HG3' ' A' ' 41' ' ' GLN . 11.1 m-20 -60.96 -60.83 3.17 Favored 'General case' 0 C--N 1.332 -0.188 0 CA-C-N 115.629 -0.714 . . . . 0.0 110.35 177.86 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 38' ' ' ALA . . . . . 0.401 ' HB3' HG23 ' A' ' 34' ' ' ILE . . . -63.31 -36.52 83.97 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 115.741 -0.663 . . . . 0.0 111.154 -177.278 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 39' ' ' TRP . . . . . . . . . . . . . 65.2 t-105 -59.92 -48.55 81.24 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-O 120.902 0.382 . . . . 0.0 110.102 176.683 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -60.54 -48.59 81.11 Favored 'General case' 0 N--CA 1.453 -0.321 0 CA-C-N 115.848 -0.615 . . . . 0.0 110.745 178.578 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 41' ' ' GLN . . . . . 0.63 ' HG3' ' O ' ' A' ' 37' ' ' ASP . 20.7 mt-30 -55.19 -49.09 72.78 Favored 'General case' 0 C--O 1.233 0.206 0 O-C-N 123.349 0.406 . . . . 0.0 110.791 179.845 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 42' ' ' TRP . . . . . . . . . . . . . 51.1 t-105 -66.8 -54.44 22.54 Favored 'General case' 0 N--CA 1.45 -0.432 0 CA-C-N 115.781 -0.645 . . . . 0.0 111.224 -175.272 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 43' ' ' GLN . . . . . 0.526 ' HA ' ' OE1' ' A' ' 43' ' ' GLN . 11.9 mm-40 -68.68 -28.72 67.11 Favored 'General case' 0 C--N 1.325 -0.458 0 N-CA-C 112.018 0.377 . . . . 0.0 112.018 -174.119 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 44' ' ' HIS . . . . . . . . . . . . . 0.3 OUTLIER -62.91 -45.71 91.24 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-O 121.132 0.492 . . . . 0.0 109.852 174.387 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 3.7 tmtp? -70.9 -46.43 62.55 Favored 'General case' 0 C--N 1.325 -0.466 0 CA-C-N 115.411 -0.813 . . . . 0.0 110.403 -178.722 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 46' ' ' GLN . . . . . 0.502 ' O ' HG13 ' A' ' 50' ' ' ILE . 52.5 tp60 -61.16 -51.13 70.36 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 115.899 -0.591 . . . . 0.0 111.216 -177.067 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 30.4 m -59.8 -36.79 77.46 Favored 'General case' 0 C--O 1.236 0.355 0 CA-C-O 120.966 0.412 . . . . 0.0 110.628 179.466 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 48' ' ' MET . . . . . . . . . . . . . 24.2 ttt -59.4 -47.74 84.31 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 115.899 -0.591 . . . . 0.0 110.488 175.915 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 49' ' ' LEU . . . . . 0.443 ' HB3' ' HE2' ' A' ' 53' ' ' LYS . 36.5 mt -66.31 -35.98 81.78 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 115.996 -0.547 . . . . 0.0 111.801 -178.455 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 50' ' ' ILE . . . . . 0.502 HG13 ' O ' ' A' ' 46' ' ' GLN . 77.8 mt -61.92 -39.04 82.16 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.42 0 CA-C-O 120.825 0.345 . . . . 0.0 110.609 178.469 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 51' ' ' ASN . . . . . . . . . . . . . 33.9 m-80 -79.06 -35.86 41.85 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.672 -179.839 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 35.9 tt0 -61.75 -55.14 33.4 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-N 115.839 -0.619 . . . . 0.0 110.961 177.853 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 53' ' ' LYS . . . . . 0.443 ' HE2' ' HB3' ' A' ' 49' ' ' LEU . 51.0 mtmt -90.25 -1.53 57.94 Favored 'General case' 0 C--N 1.325 -0.462 0 CA-C-N 115.751 -0.659 . . . . 0.0 111.976 -173.432 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 47.7 mmtm 56.43 46.07 21.47 Favored 'General case' 0 C--O 1.235 0.329 0 O-C-N 123.413 0.445 . . . . 0.0 110.977 178.018 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 81.3 mt -66.58 117.08 8.25 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-N 115.774 -0.648 . . . . 0.0 110.704 -178.063 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 56' ' ' ASN . . . . . 0.535 ' O ' ' HB2' ' A' ' 62' ' ' HIS . 8.4 p30 -87.58 140.29 29.67 Favored 'General case' 0 C--N 1.326 -0.416 0 N-CA-C 109.981 -0.377 . . . . 0.0 109.981 177.864 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 57' ' ' MET . . . . . . . . . . . . . 24.8 mmt -98.76 14.46 28.67 Favored 'General case' 0 C--N 1.322 -0.623 0 CA-C-O 121.28 0.562 . . . . 0.0 109.967 -179.688 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 58' ' ' MET . . . . . . . . . . . . . 54.4 mtt -78.82 -39.96 34.21 Favored 'General case' 0 C--N 1.323 -0.551 0 CA-C-N 115.283 -0.872 . . . . 0.0 109.339 179.362 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 59' ' ' ASN . . . . . . . . . . . . . 6.1 m-20 -86.62 141.02 29.28 Favored 'General case' 0 C--N 1.323 -0.586 0 CA-C-N 115.37 -0.832 . . . . 0.0 110.072 173.629 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 60' ' ' ALA . . . . . 0.414 ' O ' ' HG2' ' A' ' 64' ' ' LYS . . . -60.33 -25.13 65.56 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.053 -0.521 . . . . 0.0 110.813 178.755 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 40.8 mt-10 -47.42 -62.05 1.62 Allowed 'General case' 0 N--CA 1.464 0.261 0 CA-C-N 115.562 -0.744 . . . . 0.0 111.634 178.738 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 62' ' ' HIS . . . . . 0.535 ' HB2' ' O ' ' A' ' 56' ' ' ASN . 81.5 m-70 -85.33 -18.67 33.11 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-N 116.024 -0.534 . . . . 0.0 111.316 -171.376 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 63' ' ' ARG . . . . . . . . . . . . . 7.8 tpm_? -69.05 -56.96 6.15 Favored 'General case' 0 C--N 1.326 -0.437 0 N-CA-C 109.786 -0.45 . . . . 0.0 109.786 176.426 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 64' ' ' LYS . . . . . 0.414 ' HG2' ' O ' ' A' ' 60' ' ' ALA . 21.5 pttp -68.09 -21.04 64.99 Favored 'General case' 0 C--O 1.222 -0.346 0 N-CA-C 109.77 -0.456 . . . . 0.0 109.77 177.885 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 65' ' ' LEU . . . . . 0.499 ' HB3' ' O ' ' A' ' 62' ' ' HIS . 52.2 tp -55.33 -51.85 65.38 Favored 'General case' 0 C--N 1.332 -0.186 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.295 173.106 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 3.0 tt -59.64 -46.22 89.64 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 115.921 -0.581 . . . . 0.0 109.611 -179.957 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -54.41 -53.64 51.32 Favored 'General case' 0 N--CA 1.466 0.348 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.122 176.517 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 68' ' ' GLN . . . . . 0.499 ' HB3' HG12 ' A' ' 82' ' ' ILE . 14.3 mt-30 -58.15 -49.68 76.17 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.061 -0.518 . . . . 0.0 111.151 -178.659 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 69' ' ' GLU . . . . . 0.413 ' HG3' ' O ' ' A' ' 65' ' ' LEU . 42.5 mt-10 -60.65 -43.23 97.85 Favored 'General case' 0 C--O 1.235 0.311 0 CA-C-O 120.807 0.337 . . . . 0.0 110.594 -179.409 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 70' ' ' MET . . . . . . . . . . . . . 49.6 ttm -60.05 -52.24 66.21 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 115.926 -0.579 . . . . 0.0 111.076 -179.043 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 71' ' ' VAL . . . . . . . . . . . . . 97.3 t -61.33 -34.62 61.77 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.358 0 CA-C-N 116.055 -0.521 . . . . 0.0 110.831 -179.086 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 50.4 m -65.29 -37.81 88.32 Favored 'General case' 0 C--N 1.325 -0.48 0 N-CA-C 111.907 0.336 . . . . 0.0 111.907 -178.861 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 73' ' ' PHE . . . . . . . . . . . . . 62.9 t80 -92.59 -47.37 7.15 Favored 'General case' 0 C--N 1.325 -0.477 0 N-CA-C 111.903 0.334 . . . . 0.0 111.903 -174.058 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 74' ' ' LEU . . . . . . . . . . . . . 83.0 mt -80.59 -47.46 14.12 Favored 'General case' 0 C--N 1.325 -0.465 0 CA-C-O 120.869 0.366 . . . . 0.0 111.941 -173.211 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 75' ' ' PHE . . . . . . . . . . . . . 58.1 t80 -89.1 -42.99 11.38 Favored 'General case' 0 C--N 1.323 -0.545 0 CA-C-O 120.869 0.366 . . . . 0.0 110.32 -177.85 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 32.7 tt0 60.74 90.31 0.07 Allowed 'General case' 0 C--N 1.331 -0.215 0 CA-C-N 114.933 -1.03 . . . . 0.0 110.525 -176.628 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . 157.32 44.47 0.02 OUTLIER Glycine 0 N--CA 1.445 -0.747 0 C-N-CA 120.674 -0.774 . . . . 0.0 112.295 -178.113 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 78' ' ' LYS . . . . . 0.509 ' O ' ' HD2' ' A' ' 78' ' ' LYS . 2.8 pptp? -99.04 139.2 35.04 Favored 'General case' 0 C--N 1.324 -0.509 0 CA-C-O 121.075 0.464 . . . . 0.0 110.585 178.56 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 79' ' ' ASP . . . . . . . . . . . . . 5.3 m-20 -90.39 -32.1 16.59 Favored 'General case' 0 C--N 1.319 -0.757 0 CA-C-N 115.929 -0.578 . . . . 0.0 110.01 176.299 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 80' ' ' VAL . . . . . 0.485 ' O ' ' HD3' ' A' ' 78' ' ' LYS . 46.2 t -70.62 110.5 3.71 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.447 0 CA-C-N 115.369 -0.832 . . . . 0.0 110.746 -177.574 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 81' ' ' HIS . . . . . . . . . . . . . 23.1 m170 -76.18 147.67 38.28 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-O 121.069 0.462 . . . . 0.0 110.661 179.838 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 82' ' ' ILE . . . . . 0.499 HG12 ' HB3' ' A' ' 68' ' ' GLN . 32.7 mt -94.1 90.19 2.76 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.592 0 CA-C-N 115.651 -0.704 . . . . 0.0 112.404 -168.213 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 22.3 tt0 58.18 18.38 5.28 Favored 'General case' 0 N--CA 1.468 0.434 0 CA-C-N 115.638 -0.71 . . . . 0.0 112.024 172.601 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 84' ' ' GLY . . . . . . . . . . . . . . . -76.48 -59.07 3.39 Favored Glycine 0 N--CA 1.449 -0.445 0 C-N-CA 120.679 -0.772 . . . . 0.0 111.517 179.382 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 85' ' ' TYR . . . . . . . . . . . . . 83.8 m-85 -121.4 143.3 49.3 Favored 'General case' 0 C--N 1.321 -0.649 0 N-CA-C 109.824 -0.436 . . . . 0.0 109.824 176.55 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 86' ' ' THR . . . . . . . . . . . . . 21.6 m -129.79 106.85 16.87 Favored Pre-proline 0 C--N 1.322 -0.593 0 CA-C-N 116.207 -0.452 . . . . 0.0 111.05 -176.489 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 87' ' ' PRO . . . . . . . . . . . . . 14.9 Cg_exo -69.44 148.65 67.59 Favored 'Trans proline' 0 N--CA 1.462 -0.374 0 C-N-CA 122.581 2.187 . . . . 0.0 111.168 173.658 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 88' ' ' GLU . . . . . 0.497 ' HA ' ' OE1' ' A' ' 88' ' ' GLU . 3.9 mm-40 -81.93 75.64 8.86 Favored 'General case' 0 C--N 1.325 -0.482 0 CA-C-O 121.783 0.801 . . . . 0.0 110.871 178.37 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 89' ' ' ASP . . . . . . . . . . . . . 54.1 t0 -157.99 98.28 1.6 Allowed 'General case' 0 C--N 1.32 -0.698 0 CA-C-N 114.082 -1.417 . . . . 0.0 108.102 175.373 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 3.5 mptp? -69.77 99.19 1.32 Allowed 'General case' 0 C--N 1.32 -0.677 0 CA-C-O 121.474 0.654 . . . . 0.0 110.358 -174.263 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 91' ' ' LYS . . . . . . . . . . . . . 41.2 ttmt . . . . . 0 C--O 1.248 1.013 0 CA-C-N 115.391 -0.822 . . . . 0.0 110.069 -178.385 . . . . . . . . 0 0 . 1 . 019 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 76.0 mtm . . . . . 0 N--CA 1.483 1.189 0 CA-C-O 120.774 0.321 . . . . 0.0 110.921 . . . . . . . . . 0 0 . 1 . 019 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 24.8 m -89.16 90.26 8.3 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-O 120.991 0.424 . . . . 0.0 110.06 178.793 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 3' ' ' ARG . . . . . . . . . . . . . 39.4 ttm180 -96.69 92.51 6.23 Favored 'General case' 0 C--N 1.324 -0.503 0 CA-C-N 116.149 -0.478 . . . . 0.0 109.973 -179.045 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 17.1 m -86.09 115.51 23.72 Favored 'General case' 0 C--N 1.318 -0.766 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.715 -178.348 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 5' ' ' ILE . . . . . . . . . . . . . 2.7 pp -120.43 169.13 12.05 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 CA-C-N 116.305 -0.407 . . . . 0.0 110.776 179.613 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 6' ' ' PHE . . . . . . . . . . . . . 75.1 t80 -96.56 109.44 22.03 Favored 'General case' 0 C--N 1.322 -0.6 0 N-CA-C 109.319 -0.622 . . . . 0.0 109.319 176.537 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 7' ' ' CYS . . . . . 0.79 ' SG ' ' HB2' ' A' ' 10' ' ' LEU . 9.5 p -87.29 140.16 29.83 Favored 'General case' 0 C--N 1.319 -0.742 0 CA-C-N 116.125 -0.489 . . . . 0.0 111.15 -175.742 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 20.2 m -64.7 -52.55 56.57 Favored 'General case' 0 C--N 1.324 -0.531 0 CA-C-N 115.991 -0.55 . . . . 0.0 111.721 -177.801 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 9' ' ' TYR . . . . . . . . . . . . . 41.6 t80 -67.88 -34.7 77.18 Favored 'General case' 0 C--N 1.325 -0.469 0 N-CA-C 112.474 0.546 . . . . 0.0 112.474 -170.993 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 10' ' ' LEU . . . . . 0.79 ' HB2' ' SG ' ' A' ' 7' ' ' CYS . 92.1 mt -97.09 -23.87 16.03 Favored 'General case' 0 C--N 1.326 -0.443 0 C-N-CA 120.858 -0.337 . . . . 0.0 111.755 -176.744 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 28.2 mm-40 62.15 32.06 17.49 Favored 'General case' 0 N--CA 1.468 0.468 0 CA-C-O 120.892 0.377 . . . . 0.0 111.298 179.33 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 17.7 ptt180 -147.74 -179.07 6.62 Favored 'General case' 0 C--N 1.326 -0.456 0 CA-C-N 116.408 -0.36 . . . . 0.0 110.565 179.637 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 10.1 m-20 -67.72 125.31 25.83 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.278 -0.419 . . . . 0.0 110.637 -178.961 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -140.16 178.55 7.2 Favored 'General case' 0 C--N 1.321 -0.65 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.223 177.742 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 14.6 pt-20 -97.8 132.63 43.24 Favored 'General case' 0 C--N 1.322 -0.596 0 CA-C-O 121.314 0.578 . . . . 0.0 110.815 -177.217 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . -67.96 122.69 16.85 Favored Glycine 0 N--CA 1.444 -0.816 0 CA-C-N 115.476 -0.784 . . . . 0.0 112.13 178.996 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 17' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -60.38 101.73 0.14 Allowed 'General case' 0 C--N 1.322 -0.594 0 C-N-CA 122.704 0.402 . . . . 0.0 111.588 178.932 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 22.0 t70 -92.81 75.67 4.89 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.981 0.42 . . . . 0.0 110.182 178.932 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 33.2 m-85 -152.45 123.49 7.54 Favored 'General case' 0 C--N 1.323 -0.547 0 CA-C-N 116.065 -0.516 . . . . 0.0 111.009 -179.34 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 81.5 mm-40 -134.07 117.54 16.74 Favored 'General case' 0 C--N 1.322 -0.624 0 CA-C-N 116.071 -0.513 . . . . 0.0 109.683 173.907 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 21' ' ' LEU . . . . . 0.421 HD11 ' N ' ' A' ' 21' ' ' LEU . 4.5 mp -111.85 -84.61 0.57 Allowed 'General case' 0 C--N 1.325 -0.48 0 CA-C-O 121.22 0.533 . . . . 0.0 110.101 -175.706 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 22' ' ' TYR . . . . . 0.484 ' N ' ' HD2' ' A' ' 23' ' ' PRO . 10.5 p90 -108.2 -30.04 0.17 Allowed Pre-proline 0 CA--C 1.543 0.695 0 N-CA-C 113.199 0.815 . . . . 0.0 113.199 177.59 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 23' ' ' PRO . . . . . 0.484 ' HD2' ' N ' ' A' ' 22' ' ' TYR . 73.9 Cg_endo -75.73 169.09 22.98 Favored 'Trans proline' 0 C--N 1.365 1.401 0 CA-C-N 120.81 1.325 . . . . 0.0 111.77 175.239 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -127.97 -110.98 1.6 Allowed Glycine 0 N--CA 1.447 -0.596 0 C-N-CA 120.504 -0.855 . . . . 0.0 112.467 -178.996 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 9.2 pt-20 -62.18 -35.13 77.89 Favored 'General case' 0 C--N 1.326 -0.433 0 N-CA-C 112.042 0.386 . . . . 0.0 112.042 -175.272 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 56.7 tp -66.28 -40.51 90.13 Favored 'General case' 0 C--N 1.329 -0.318 0 N-CA-C 109.315 -0.624 . . . . 0.0 109.315 177.117 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . -65.17 -47.92 75.72 Favored Glycine 0 N--CA 1.446 -0.665 0 N-CA-C 111.107 -0.797 . . . . 0.0 111.107 176.795 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 99.4 mttt -52.52 -50.07 63.58 Favored 'General case' 0 C--N 1.331 -0.216 0 C-N-CA 122.182 0.193 . . . . 0.0 110.948 177.994 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 46.6 ttt180 -50.59 -52.67 36.98 Favored 'General case' 0 C--N 1.331 -0.202 0 CA-C-N 116.321 -0.4 . . . . 0.0 110.705 179.098 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 30' ' ' ILE . . . . . . . . . . . . . 74.3 mt -60.83 -49.84 82.94 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.075 -0.511 . . . . 0.0 110.846 -179.857 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 31' ' ' TYR . . . . . . . . . . . . . 21.5 m-85 -67.29 -11.09 56.66 Favored 'General case' 0 C--N 1.324 -0.52 0 N-CA-C 112.662 0.615 . . . . 0.0 112.662 -173.759 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 32' ' ' ASN . . . . . . . . . . . . . 11.3 m-80 -87.28 -32.1 19.88 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-O 120.61 0.243 . . . . 0.0 111.36 179.137 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 10.7 pt-20 -112.86 -4.04 14.04 Favored 'General case' 0 C--N 1.324 -0.534 0 CA-C-O 121.044 0.45 . . . . 0.0 111.312 -176.678 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 34' ' ' ILE . . . . . . . . . . . . . 11.1 mm -117.39 125.64 74.13 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.606 0 CA-C-O 121.392 0.615 . . . . 0.0 110.802 177.307 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 42.8 t -83.45 162.44 20.97 Favored 'General case' 0 C--N 1.321 -0.669 0 CA-C-N 115.145 -0.934 . . . . 0.0 110.079 177.421 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 84.0 mttt -57.17 -24.98 58.06 Favored 'General case' 0 C--N 1.322 -0.616 0 CA-C-N 115.173 -0.921 . . . . 0.0 110.283 176.962 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 37' ' ' ASP . . . . . 0.593 ' O ' ' HG3' ' A' ' 41' ' ' GLN . 20.4 m-20 -60.16 -64.21 1.03 Allowed 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 115.709 -0.678 . . . . 0.0 110.358 176.369 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -66.42 -38.43 87.43 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 115.929 -0.578 . . . . 0.0 111.315 -175.986 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 39' ' ' TRP . . . . . . . . . . . . . 77.4 t-105 -59.84 -47.27 86.41 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.073 -0.512 . . . . 0.0 110.528 -179.983 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -67.57 -40.49 84.87 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.101 -0.499 . . . . 0.0 111.299 -179.562 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 41' ' ' GLN . . . . . 0.593 ' HG3' ' O ' ' A' ' 37' ' ' ASP . 24.9 mt-30 -60.5 -43.82 96.64 Favored 'General case' 0 CA--C 1.519 -0.226 0 CA-C-N 116.476 -0.329 . . . . 0.0 110.896 -179.876 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 42' ' ' TRP . . . . . . . . . . . . . 30.0 t-105 -65.43 -52.09 55.66 Favored 'General case' 0 N--CA 1.453 -0.321 0 CA-C-N 116.449 -0.341 . . . . 0.0 110.945 -177.8 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 43' ' ' GLN . . . . . . . . . . . . . 80.4 mt-30 -58.9 -39.56 81.84 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.682 0.277 . . . . 0.0 110.648 -179.385 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 44' ' ' HIS . . . . . . . . . . . . . 15.3 t-80 -64.44 -51.56 62.5 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-N 116.397 -0.365 . . . . 0.0 110.44 178.513 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 16.1 tppt? -58.06 -48.29 80.58 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 115.842 -0.617 . . . . 0.0 111.182 179.694 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 46' ' ' GLN . . . . . 0.501 ' O ' HG13 ' A' ' 50' ' ' ILE . 25.5 tt0 -67.24 -45.6 76.24 Favored 'General case' 0 N--CA 1.449 -0.498 0 CA-C-N 116.657 -0.247 . . . . 0.0 111.217 -175.501 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 91.4 m -58.47 -41.98 86.46 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-O 120.934 0.397 . . . . 0.0 110.307 179.008 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 48' ' ' MET . . . . . 0.488 ' O ' ' HG3' ' A' ' 52' ' ' GLU . 28.1 ttt -62.18 -45.13 94.77 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-O 121.133 0.492 . . . . 0.0 110.237 175.621 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 11.1 tp -60.21 -43.23 96.13 Favored 'General case' 0 C--N 1.325 -0.461 0 CA-C-N 115.233 -0.894 . . . . 0.0 110.786 -177.894 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 50' ' ' ILE . . . . . 0.501 HG13 ' O ' ' A' ' 46' ' ' GLN . 88.5 mt -59.58 -43.31 90.7 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 115.796 -0.638 . . . . 0.0 111.006 178.762 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 51' ' ' ASN . . . . . . . . . . . . . 4.1 m-20 -73.18 -33.89 65.69 Favored 'General case' 0 C--N 1.324 -0.505 0 CA-C-N 116.038 -0.528 . . . . 0.0 111.233 -177.325 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 52' ' ' GLU . . . . . 0.488 ' HG3' ' O ' ' A' ' 48' ' ' MET . 49.9 mt-10 -67.24 -53.51 29.47 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-O 120.969 0.414 . . . . 0.0 110.39 176.722 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 66.9 mttm -69.21 -28.07 66.05 Favored 'General case' 0 C--N 1.324 -0.504 0 CA-C-N 115.848 -0.615 . . . . 0.0 111.091 -177.843 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 92.1 mttt 57.5 78.76 0.22 Allowed 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 115.569 -0.741 . . . . 0.0 110.039 -172.87 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 4.0 pp -133.11 157.24 45.81 Favored 'General case' 0 C--N 1.323 -0.547 0 CA-C-N 115.245 -0.888 . . . . 0.0 109.898 -178.794 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 56' ' ' ASN . . . . . . . . . . . . . 18.8 m120 -108.13 136.96 46.93 Favored 'General case' 0 C--N 1.322 -0.613 0 CA-C-O 121.082 0.467 . . . . 0.0 110.966 -178.462 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 57' ' ' MET . . . . . . . . . . . . . 23.3 mmt -85.67 -2.01 57.75 Favored 'General case' 0 C--N 1.326 -0.442 0 CA-C-N 115.749 -0.659 . . . . 0.0 110.356 176.558 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 58' ' ' MET . . . . . . . . . . . . . 65.6 mtt -72.3 -18.3 61.8 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 115.416 -0.811 . . . . 0.0 109.354 173.573 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 59' ' ' ASN . . . . . . . . . . . . . 2.3 m-20 -89.02 137.03 32.69 Favored 'General case' 0 C--N 1.323 -0.56 0 CA-C-N 115.148 -0.933 . . . . 0.0 110.107 -178.809 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 60' ' ' ALA . . . . . 0.527 ' O ' ' HG2' ' A' ' 64' ' ' LYS . . . -63.29 -19.56 64.7 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.344 -0.389 . . . . 0.0 110.637 178.698 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 20.4 mt-10 -56.02 -57.14 13.4 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-O 121.726 0.774 . . . . 0.0 110.005 174.692 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 62' ' ' HIS . . . . . . . . . . . . . 95.3 m-70 -91.24 -15.77 28.7 Favored 'General case' 0 C--N 1.323 -0.561 0 CA-C-N 115.085 -0.961 . . . . 0.0 111.333 -169.605 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 63' ' ' ARG . . . . . 0.407 ' O ' ' HB3' ' A' ' 66' ' ' LEU . 21.7 tpp180 -63.44 -49.4 73.85 Favored 'General case' 0 C--O 1.238 0.48 0 CA-C-O 121.085 0.469 . . . . 0.0 110.032 175.441 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 64' ' ' LYS . . . . . 0.527 ' HG2' ' O ' ' A' ' 60' ' ' ALA . 18.9 pttm -73.04 -34.13 66.13 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.124 177.139 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 65' ' ' LEU . . . . . 0.542 ' O ' ' HG3' ' A' ' 69' ' ' GLU . 47.9 tp -55.85 -46.04 78.3 Favored 'General case' 0 N--CA 1.463 0.206 0 N-CA-C 109.862 -0.421 . . . . 0.0 109.862 175.504 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 66' ' ' LEU . . . . . 0.467 HD12 HE22 ' A' ' 46' ' ' GLN . 8.9 tp -48.4 -57.09 6.56 Favored 'General case' 0 C--N 1.332 -0.174 0 CA-C-N 115.79 -0.641 . . . . 0.0 110.861 173.344 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 2.4 tm-20 -53.94 -43.74 70.07 Favored 'General case' 0 C--O 1.235 0.304 0 CA-C-N 116.11 -0.496 . . . . 0.0 110.618 178.333 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 68' ' ' GLN . . . . . 0.503 ' HB3' HG12 ' A' ' 82' ' ' ILE . 58.0 mt-30 -59.18 -62.58 1.78 Allowed 'General case' 0 C--N 1.321 -0.673 0 CA-C-N 115.799 -0.637 . . . . 0.0 111.359 -179.431 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 69' ' ' GLU . . . . . 0.542 ' HG3' ' O ' ' A' ' 65' ' ' LEU . 17.3 mt-10 -63.92 -41.94 97.52 Favored 'General case' 0 C--N 1.325 -0.498 0 CA-C-N 116.461 -0.336 . . . . 0.0 111.365 -174.092 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 70' ' ' MET . . . . . . . . . . . . . 59.0 ttp -58.56 -54.38 47.7 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.085 -0.507 . . . . 0.0 111.439 -176.229 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 71' ' ' VAL . . . . . 0.441 ' HB ' ' HZ3' ' A' ' 78' ' ' LYS . 96.3 t -64.04 -38.24 81.92 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.409 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.124 -178.177 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 72' ' ' SER . . . . . 0.592 ' OG ' ' HE2' ' A' ' 78' ' ' LYS . 68.4 m -73.35 -12.59 60.88 Favored 'General case' 0 C--N 1.327 -0.372 0 N-CA-C 111.939 0.348 . . . . 0.0 111.939 -178.524 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 73' ' ' PHE . . . . . . . . . . . . . 55.7 t80 -98.41 -44.94 6.32 Favored 'General case' 0 C--N 1.325 -0.481 0 C-N-CA 120.662 -0.415 . . . . 0.0 110.819 177.248 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 74' ' ' LEU . . . . . . . . . . . . . 97.0 mt -78.17 -49.6 13.52 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 116.335 -0.393 . . . . 0.0 111.565 -176.684 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 75' ' ' PHE . . . . . . . . . . . . . 20.3 m-30 -95.41 -11.16 28.11 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.884 0.373 . . . . 0.0 110.207 179.556 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 76' ' ' GLU . . . . . 0.544 ' HA ' ' O ' ' A' ' 72' ' ' SER . 50.2 mt-10 70.67 -75.56 0.07 Allowed 'General case' 0 N--CA 1.466 0.358 0 CA-C-N 115.252 -0.886 . . . . 0.0 112.479 177.562 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . -92.74 88.18 1.28 Allowed Glycine 0 N--CA 1.445 -0.72 0 C-N-CA 120.651 -0.785 . . . . 0.0 113.971 -168.147 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 78' ' ' LYS . . . . . 0.592 ' HE2' ' OG ' ' A' ' 72' ' ' SER . 0.0 OUTLIER -121.58 159.6 26.08 Favored 'General case' 0 C--N 1.328 -0.337 0 N-CA-C 109.649 -0.5 . . . . 0.0 109.649 170.672 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 79' ' ' ASP . . . . . . . . . . . . . 43.7 m-20 -89.77 -16.19 30.79 Favored 'General case' 0 C--N 1.326 -0.433 0 N-CA-C 113.636 0.976 . . . . 0.0 113.636 -165.357 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 80' ' ' VAL . . . . . 0.504 ' HB ' ' HE3' ' A' ' 78' ' ' LYS . 67.0 t -66.24 120.12 12.73 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.552 0 N-CA-C 110.01 -0.367 . . . . 0.0 110.01 177.179 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 81' ' ' HIS . . . . . . . . . . . . . 74.9 m-70 -77.47 132.49 38.46 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.083 -0.508 . . . . 0.0 111.309 -174.556 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 82' ' ' ILE . . . . . 0.503 HG12 ' HB3' ' A' ' 68' ' ' GLN . 11.9 mt -103.98 112.44 37.52 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.532 0 N-CA-C 109.654 -0.498 . . . . 0.0 109.654 177.979 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 5.9 mm-40 64.34 24.59 13.29 Favored 'General case' 0 N--CA 1.466 0.372 0 CA-C-O 121.196 0.522 . . . . 0.0 110.929 -179.406 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 84' ' ' GLY . . . . . . . . . . . . . . . -93.06 17.25 58.64 Favored Glycine 0 N--CA 1.447 -0.612 0 C-N-CA 120.969 -0.634 . . . . 0.0 111.989 179.719 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 85' ' ' TYR . . . . . . . . . . . . . 56.6 m-85 66.3 21.45 10.98 Favored 'General case' 0 N--CA 1.463 0.22 0 C-N-CA 123.058 0.543 . . . . 0.0 111.924 179.078 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 86' ' ' THR . . . . . . . . . . . . . 23.6 p -89.53 121.2 69.43 Favored Pre-proline 0 N--CA 1.448 -0.542 0 N-CA-C 108.962 -0.755 . . . . 0.0 108.962 170.301 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 87' ' ' PRO . . . . . . . . . . . . . 8.1 Cg_exo -71.94 5.02 2.78 Favored 'Trans proline' 0 CA--C 1.528 0.213 0 C-N-CA 122.568 2.179 . . . . 0.0 113.137 -175.977 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 88' ' ' GLU . . . . . . . . . . . . . 19.2 mm-40 58.77 30.82 20.52 Favored 'General case' 0 C--O 1.233 0.219 0 CA-C-O 121.241 0.543 . . . . 0.0 110.011 -175.946 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 89' ' ' ASP . . . . . . . . . . . . . 1.6 p-10 -51.9 -70.49 0.09 Allowed 'General case' 0 C--O 1.232 0.161 0 CA-C-N 114.797 -1.092 . . . . 0.0 111.299 -178.511 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 54.8 tttp -95.15 -19.77 19.82 Favored 'General case' 0 C--N 1.326 -0.447 0 N-CA-C 109.086 -0.709 . . . . 0.0 109.086 172.524 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 91' ' ' LYS . . . . . . . . . . . . . 49.2 tttp . . . . . 0 C--O 1.248 1.02 0 CA-C-N 114.876 -1.056 . . . . 0.0 110.699 179.119 . . . . . . . . 0 0 . 1 . 020 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 16.4 tpt . . . . . 0 N--CA 1.478 0.962 0 N-CA-C 109.937 -0.394 . . . . 0.0 109.937 . . . . . . . . . 0 0 . 1 . 020 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 19.6 m -74.47 128.25 35.07 Favored 'General case' 0 C--N 1.324 -0.506 0 N-CA-C 109.8 -0.444 . . . . 0.0 109.8 178.809 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 3' ' ' ARG . . . . . . . . . . . . . 30.3 tpt180 -81.5 128.56 34.03 Favored 'General case' 0 C--N 1.324 -0.54 0 CA-C-O 121.089 0.471 . . . . 0.0 110.975 -176.606 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 4' ' ' THR . . . . . 0.422 ' HA ' ' O ' ' A' ' 14' ' ' ALA . 22.7 p -87.02 103.72 15.63 Favored 'General case' 0 C--N 1.324 -0.539 0 CA-C-N 115.506 -0.77 . . . . 0.0 110.798 177.494 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 5' ' ' ILE . . . . . . . . . . . . . 2.8 pp -103.34 170.02 1.89 Allowed 'Isoleucine or valine' 0 C--N 1.321 -0.64 0 CA-C-N 115.955 -0.566 . . . . 0.0 110.688 -179.69 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 6' ' ' PHE . . . . . . . . . . . . . 83.4 m-85 -100.77 98.32 8.86 Favored 'General case' 0 C--N 1.322 -0.626 0 CA-C-O 120.993 0.425 . . . . 0.0 110.097 178.731 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 7' ' ' CYS . . . . . 0.45 ' HA ' ' O ' ' A' ' 33' ' ' GLU . 53.0 t -65.6 134.17 52.72 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-N 115.727 -0.67 . . . . 0.0 111.08 -176.862 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 8.8 p -58.85 -47.86 83.4 Favored 'General case' 0 C--N 1.325 -0.485 0 CA-C-N 115.949 -0.569 . . . . 0.0 111.965 -179.333 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 9' ' ' TYR . . . . . . . . . . . . . 60.7 t80 -73.89 -37.43 64.69 Favored 'General case' 0 C--N 1.324 -0.528 0 CA-C-N 115.929 -0.578 . . . . 0.0 111.656 -174.863 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 93.7 mt -86.85 -28.4 22.9 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-N 116.569 -0.287 . . . . 0.0 111.756 -175.944 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 29.1 mm-40 59.86 36.25 21.9 Favored 'General case' 0 N--CA 1.466 0.325 0 CA-C-O 120.965 0.412 . . . . 0.0 111.185 -179.575 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 6.9 ptp180 -151.38 176.96 10.76 Favored 'General case' 0 C--N 1.324 -0.51 0 CA-C-N 116.005 -0.543 . . . . 0.0 109.909 -179.192 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 7.6 m-20 -66.02 124.72 23.34 Favored 'General case' 0 C--N 1.327 -0.407 0 O-C-N 123.669 0.606 . . . . 0.0 110.067 177.033 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 14' ' ' ALA . . . . . 0.422 ' O ' ' HA ' ' A' ' 4' ' ' THR . . . -142.54 179.6 6.87 Favored 'General case' 0 C--N 1.318 -0.763 0 CA-C-N 116.408 -0.36 . . . . 0.0 110.664 -178.731 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 16.4 pt-20 -94.85 144.53 25.57 Favored 'General case' 0 C--N 1.322 -0.594 0 CA-C-N 116.722 -0.217 . . . . 0.0 110.439 -179.063 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . -63.17 105.61 1.08 Allowed Glycine 0 N--CA 1.451 -0.327 0 N-CA-C 110.113 -1.195 . . . . 0.0 110.113 168.665 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 17' ' ' GLN . . . . . 0.624 ' HG3' ' N ' ' A' ' 18' ' ' ASP . 12.0 pt20 -44.48 -57.59 3.48 Favored 'General case' 0 CA--C 1.53 0.209 0 N-CA-C 113.727 1.01 . . . . 0.0 113.727 -163.576 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 18' ' ' ASP . . . . . 0.624 ' N ' ' HG3' ' A' ' 17' ' ' GLN . 0.9 OUTLIER -162.34 -158.4 0.52 Allowed 'General case' 0 C--N 1.323 -0.556 0 C-N-CA 120.645 -0.422 . . . . 0.0 110.496 -171.287 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 54.4 m-85 -112.65 177.95 4.46 Favored 'General case' 0 C--N 1.322 -0.6 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.476 -177.486 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 51.5 mt-30 -86.94 120.06 27.82 Favored 'General case' 0 C--N 1.325 -0.459 0 CA-C-O 120.949 0.404 . . . . 0.0 110.353 178.394 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 4.3 mp -90.31 -55.13 3.72 Favored 'General case' 0 C--N 1.324 -0.517 0 CA-C-N 115.871 -0.604 . . . . 0.0 109.458 179.002 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 22' ' ' TYR . . . . . 0.58 ' H ' ' CD ' ' A' ' 23' ' ' PRO . 24.9 p90 -149.37 -33.74 0.0 OUTLIER Pre-proline 0 CA--C 1.54 0.593 0 N-CA-C 112.975 0.732 . . . . 0.0 112.975 177.074 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 23' ' ' PRO . . . . . 0.58 ' CD ' ' H ' ' A' ' 22' ' ' TYR . 52.8 Cg_exo -57.8 136.96 78.66 Favored 'Trans proline' 0 C--N 1.364 1.35 0 C-N-CA 121.234 1.289 . . . . 0.0 111.802 173.68 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -93.83 -114.33 2.45 Favored Glycine 0 N--CA 1.451 -0.358 0 C-N-CA 121.339 -0.458 . . . . 0.0 113.028 -171.085 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -64.08 -41.97 97.13 Favored 'General case' 0 C--N 1.332 -0.166 0 CA-C-O 120.629 0.252 . . . . 0.0 111.035 -175.321 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 63.0 tp -67.09 -35.21 79.29 Favored 'General case' 0 C--N 1.327 -0.396 0 N-CA-C 109.681 -0.489 . . . . 0.0 109.681 176.176 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 27' ' ' GLY . . . . . 0.473 ' HA3' ' HB2' ' A' ' 23' ' ' PRO . . . -62.41 -53.02 45.05 Favored Glycine 0 N--CA 1.445 -0.743 0 CA-C-N 115.561 -0.745 . . . . 0.0 111.718 176.509 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 48.0 tttm -54.98 -45.27 74.99 Favored 'General case' 0 N--CA 1.452 -0.365 0 O-C-N 123.738 0.316 . . . . 0.0 110.515 178.453 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 33.4 ttt180 -52.47 -39.36 61.08 Favored 'General case' 0 C--O 1.224 -0.249 0 CA-C-N 115.547 -0.752 . . . . 0.0 111.057 179.835 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 30' ' ' ILE . . . . . . . . . . . . . 76.0 mt -78.43 -46.11 25.51 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.626 0 CA-C-N 116.701 -0.227 . . . . 0.0 111.397 179.582 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 31' ' ' TYR . . . . . . . . . . . . . 22.6 m-85 -60.47 -30.64 69.8 Favored 'General case' 0 CA--C 1.533 0.289 0 N-CA-C 113.049 0.759 . . . . 0.0 113.049 -172.02 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 32' ' ' ASN . . . . . 0.434 ' C ' HD21 ' A' ' 32' ' ' ASN . 0.4 OUTLIER -103.61 0.23 30.5 Favored 'General case' 0 C--N 1.329 -0.316 0 N-CA-C 112.694 0.628 . . . . 0.0 112.694 -177.342 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 33' ' ' GLU . . . . . 0.45 ' O ' ' HA ' ' A' ' 7' ' ' CYS . 52.5 mm-40 -112.34 -15.39 13.15 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-O 121.158 0.504 . . . . 0.0 110.562 176.126 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 34' ' ' ILE . . . . . 0.41 ' HA ' ' HG ' ' A' ' 7' ' ' CYS . 1.6 mm -113.58 136.15 50.9 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.541 0 CA-C-O 121.396 0.617 . . . . 0.0 111.255 179.66 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 43.4 t -82.43 151.46 26.57 Favored 'General case' 0 N--CA 1.448 -0.572 0 CA-C-N 115.316 -0.856 . . . . 0.0 109.868 176.62 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 36' ' ' LYS . . . . . 0.424 ' HE3' ' O ' ' A' ' 17' ' ' GLN . 4.7 tppp? -57.79 -28.25 63.84 Favored 'General case' 0 C--N 1.324 -0.527 0 CA-C-N 115.961 -0.563 . . . . 0.0 110.226 178.099 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 22.3 t70 -61.05 -53.27 59.23 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-O 120.995 0.426 . . . . 0.0 110.431 176.348 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -68.56 -36.34 78.63 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.076 -0.511 . . . . 0.0 110.645 -179.718 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 39' ' ' TRP . . . . . 0.466 ' O ' ' HG3' ' A' ' 43' ' ' GLN . 76.2 t-105 -61.03 -40.78 94.9 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 115.828 -0.624 . . . . 0.0 110.342 176.829 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -72.43 -45.61 58.83 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 115.967 -0.561 . . . . 0.0 110.983 178.592 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 15.6 mm100 -59.2 -39.71 83.47 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.079 -0.509 . . . . 0.0 111.272 179.445 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 42' ' ' TRP . . . . . . . . . . . . . 38.2 t-105 -63.03 -56.66 15.05 Favored 'General case' 0 C--O 1.22 -0.451 0 C-N-CA 120.828 -0.349 . . . . 0.0 110.916 177.918 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 43' ' ' GLN . . . . . 0.466 ' HG3' ' O ' ' A' ' 39' ' ' TRP . 39.1 mt-30 -61.83 -30.91 71.15 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-O 120.859 0.361 . . . . 0.0 111.093 -175.891 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 44' ' ' HIS . . . . . . . . . . . . . 47.8 t-80 -62.45 -49.38 75.65 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-N 115.797 -0.638 . . . . 0.0 110.025 177.291 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 45' ' ' LYS . . . . . 0.67 ' O ' ' HG ' ' A' ' 49' ' ' LEU . 4.2 tppp? -70.87 -37.75 73.06 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-N 115.809 -0.632 . . . . 0.0 110.299 179.179 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 46' ' ' GLN . . . . . 0.489 ' O ' HG13 ' A' ' 50' ' ' ILE . 16.0 tt0 -55.43 -53.84 51.23 Favored 'General case' 0 C--N 1.326 -0.413 0 CA-C-N 115.646 -0.706 . . . . 0.0 110.332 178.978 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 27.4 m -59.33 -39.9 84.61 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-N 115.801 -0.636 . . . . 0.0 110.426 178.837 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 48' ' ' MET . . . . . . . . . . . . . 13.6 tpt -70.64 -14.27 62.41 Favored 'General case' 0 CA--C 1.532 0.271 0 CA-C-O 121.262 0.553 . . . . 0.0 111.155 -178.402 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 49' ' ' LEU . . . . . 0.67 ' HG ' ' O ' ' A' ' 45' ' ' LYS . 83.2 mt -86.52 -44.16 12.17 Favored 'General case' 0 C--N 1.322 -0.604 0 N-CA-C 109.315 -0.624 . . . . 0.0 109.315 172.611 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 50' ' ' ILE . . . . . 0.489 HG13 ' O ' ' A' ' 46' ' ' GLN . 67.5 mt -64.18 -51.77 64.5 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.516 0 CA-C-N 115.185 -0.916 . . . . 0.0 111.814 -177.584 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 51' ' ' ASN . . . . . . . . . . . . . 36.0 p-10 -73.97 -19.22 60.73 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.855 -171.741 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 11.5 mm-40 -93.14 -42.6 9.3 Favored 'General case' 0 C--N 1.324 -0.513 0 CA-C-O 120.859 0.361 . . . . 0.0 111.043 179.89 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 56.7 mttp -79.53 -19.68 48.97 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.77 -179.78 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 56.2 mtpt 60.11 40.57 18.22 Favored 'General case' 0 N--CA 1.461 0.12 0 CA-C-N 115.73 -0.668 . . . . 0.0 110.912 175.351 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 55' ' ' LEU . . . . . 0.51 HD13 ' O ' ' A' ' 55' ' ' LEU . 2.4 pp -98.63 143.42 29.04 Favored 'General case' 0 C--N 1.323 -0.552 0 CA-C-N 116.002 -0.544 . . . . 0.0 111.138 -177.906 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 56' ' ' ASN . . . . . . . . . . . . . 16.9 p30 -95.32 137.03 34.94 Favored 'General case' 0 C--N 1.323 -0.577 0 CA-C-N 115.98 -0.555 . . . . 0.0 110.174 176.825 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 57' ' ' MET . . . . . 0.474 ' O ' ' HG2' ' A' ' 63' ' ' ARG . 15.1 ptp -109.86 15.11 22.88 Favored 'General case' 0 C--N 1.315 -0.896 0 O-C-N 122.109 -0.369 . . . . 0.0 111.34 -175.299 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 58' ' ' MET . . . . . . . . . . . . . 71.9 mtm -75.09 -19.93 59.73 Favored 'General case' 0 C--N 1.325 -0.475 0 N-CA-C 108.437 -0.949 . . . . 0.0 108.437 168.417 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 59' ' ' ASN . . . . . . . . . . . . . 3.9 m-20 -71.09 136.52 48.28 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 114.608 -1.178 . . . . 0.0 109.281 171.169 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -58.45 -41.23 84.66 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-O 120.77 0.319 . . . . 0.0 111.818 -175.669 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 27.4 mm-40 -62.76 -40.35 96.97 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 116.091 -0.504 . . . . 0.0 111.642 -178.083 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 62' ' ' HIS . . . . . . . . . . . . . 39.0 m170 -79.28 -26.48 42.32 Favored 'General case' 0 C--N 1.324 -0.516 0 CA-C-N 116.475 -0.33 . . . . 0.0 111.13 -177.581 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 63' ' ' ARG . . . . . 0.474 ' HG2' ' O ' ' A' ' 57' ' ' MET . 0.0 OUTLIER -68.17 -52.01 39.31 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-O 120.9 0.381 . . . . 0.0 110.1 178.379 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 63.9 pttt -68.35 -27.69 66.48 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 115.907 -0.588 . . . . 0.0 110.445 -178.795 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 1.1 tm? -59.57 -54.66 43.91 Favored 'General case' 0 C--N 1.329 -0.29 0 N-CA-C 109.641 -0.504 . . . . 0.0 109.641 178.069 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 66' ' ' LEU . . . . . 0.435 ' C ' HD21 ' A' ' 66' ' ' LEU . 7.2 tt -56.12 -52.05 65.72 Favored 'General case' 0 C--O 1.226 -0.179 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.104 177.653 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 67' ' ' GLU . . . . . 0.45 ' O ' HG23 ' A' ' 71' ' ' VAL . 42.7 tt0 -51.93 -54.06 33.87 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 115.782 -0.645 . . . . 0.0 111.522 -179.64 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 68' ' ' GLN . . . . . . . . . . . . . 21.1 mt-30 -66.09 -41.67 90.37 Favored 'General case' 0 C--N 1.325 -0.481 0 CA-C-N 116.323 -0.399 . . . . 0.0 111.62 -177.938 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 6.4 tp10 -64.09 -36.4 83.89 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-O 121.246 0.546 . . . . 0.0 110.004 179.504 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 70' ' ' MET . . . . . . . . . . . . . 58.3 ttp -62.27 -47.71 83.13 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 115.487 -0.779 . . . . 0.0 110.511 178.228 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 71' ' ' VAL . . . . . 0.45 HG23 ' O ' ' A' ' 67' ' ' GLU . 55.8 t -60.44 -37.55 75.0 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.415 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.26 178.474 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 72' ' ' SER . . . . . 0.475 ' O ' ' HA ' ' A' ' 76' ' ' GLU . 16.5 m -69.15 -26.65 64.98 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 115.997 -0.547 . . . . 0.0 111.576 -178.234 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 73' ' ' PHE . . . . . . . . . . . . . 43.5 t80 -92.23 -36.21 13.38 Favored 'General case' 0 C--N 1.326 -0.455 0 CA-C-O 120.743 0.306 . . . . 0.0 111.106 -177.894 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 74' ' ' LEU . . . . . . . . . . . . . 10.9 mp -88.74 -40.99 12.83 Favored 'General case' 0 C--N 1.324 -0.506 0 N-CA-C 112.029 0.381 . . . . 0.0 112.029 -176.086 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 75' ' ' PHE . . . . . . . . . . . . . 57.4 t80 -108.64 -24.78 11.2 Favored 'General case' 0 C--N 1.325 -0.469 0 CA-C-N 116.502 -0.317 . . . . 0.0 110.763 -175.713 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 76' ' ' GLU . . . . . 0.475 ' HA ' ' O ' ' A' ' 72' ' ' SER . 48.9 mt-10 72.79 -55.89 0.67 Allowed 'General case' 0 N--CA 1.468 0.465 0 C-N-CA 123.764 0.826 . . . . 0.0 112.049 177.566 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . -82.16 84.64 1.49 Allowed Glycine 0 N--CA 1.45 -0.43 0 C-N-CA 120.951 -0.642 . . . . 0.0 113.008 -176.055 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -111.29 176.08 5.17 Favored 'General case' 0 C--N 1.323 -0.55 0 CA-C-O 120.722 0.296 . . . . 0.0 110.923 177.671 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 79' ' ' ASP . . . . . . . . . . . . . 25.8 m-20 -99.45 -45.13 5.93 Favored 'General case' 0 C--N 1.324 -0.503 0 CA-C-N 116.47 -0.332 . . . . 0.0 111.554 -176.223 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 80' ' ' VAL . . . . . . . . . . . . . 36.1 t -65.34 130.08 30.21 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.442 0 CA-C-O 121.463 0.649 . . . . 0.0 112.02 -170.729 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 81' ' ' HIS . . . . . . . . . . . . . 7.8 t-160 -80.16 102.54 9.46 Favored 'General case' 0 C--N 1.323 -0.583 0 CA-C-N 115.222 -0.899 . . . . 0.0 109.135 176.477 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 82' ' ' ILE . . . . . . . . . . . . . 51.1 mt -80.61 127.2 39.62 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.521 0 CA-C-N 116.322 -0.399 . . . . 0.0 111.091 -173.384 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 10.1 mm-40 65.78 11.66 7.75 Favored 'General case' 0 N--CA 1.467 0.386 0 CA-C-N 115.743 -0.662 . . . . 0.0 112.021 176.764 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 84' ' ' GLY . . . . . . . . . . . . . . . -134.6 106.37 0.6 Allowed Glycine 0 N--CA 1.447 -0.577 0 N-CA-C 111.243 -0.743 . . . . 0.0 111.243 179.098 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 85' ' ' TYR . . . . . . . . . . . . . 45.5 m-85 -127.76 124.34 37.49 Favored 'General case' 0 C--N 1.322 -0.615 0 CA-C-N 116.842 0.321 . . . . 0.0 110.316 -175.954 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 86' ' ' THR . . . . . . . . . . . . . 12.2 p -97.91 118.46 63.86 Favored Pre-proline 0 C--N 1.322 -0.628 0 CA-C-N 115.986 -0.552 . . . . 0.0 111.588 -178.075 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 87' ' ' PRO . . . . . . . . . . . . . 21.4 Cg_exo -67.05 -34.01 30.14 Favored 'Trans proline' 0 C--N 1.345 0.376 0 C-N-CA 122.606 2.204 . . . . 0.0 110.188 170.362 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 88' ' ' GLU . . . . . . . . . . . . . 37.3 mt-10 -97.52 93.02 6.21 Favored 'General case' 0 N--CA 1.448 -0.542 0 CA-C-N 115.027 -0.988 . . . . 0.0 109.151 174.838 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 89' ' ' ASP . . . . . . . . . . . . . 5.0 p-10 -102.25 -6.46 23.13 Favored 'General case' 0 C--N 1.325 -0.474 0 CA-C-N 116.316 -0.402 . . . . 0.0 110.717 -174.528 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 37.3 mtmm -137.86 150.15 46.89 Favored 'General case' 0 C--N 1.323 -0.573 0 CA-C-N 115.898 -0.592 . . . . 0.0 109.839 179.302 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 91' ' ' LYS . . . . . . . . . . . . . 65.7 mttm . . . . . 0 C--O 1.25 1.121 0 CA-C-O 118.755 -0.64 . . . . 0.0 110.079 179.864 . . . . . . . . 0 0 . 1 . 001 nuclear build core ' A' A ' 3' ' ' ARG . . . . . . . . . . . . . 32.8 tpt180 . . . . . 0 N--CA 1.453 -0.301 0 N-CA-C 109.904 -0.406 . . . . 0.0 109.904 . . . . . . . . . 0 0 . 1 . 001 nuclear build core ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 5.5 p -84.99 127.02 34.01 Favored 'General case' 0 C--N 1.323 -0.566 0 CA-C-N 115.841 -0.618 . . . . 0.0 111.69 -176.903 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 5' ' ' ILE . . . . . . . . . . . . . 2.7 pp -132.74 177.5 7.04 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.594 0 CA-C-N 115.74 -0.664 . . . . 0.0 109.656 174.051 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 6' ' ' PHE . . . . . . . . . . . . . 84.6 m-85 -111.69 103.72 12.03 Favored 'General case' 0 C--N 1.321 -0.658 0 CA-C-O 121.021 0.439 . . . . 0.0 109.871 177.34 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 7' ' ' CYS . . . . . 0.439 ' HA ' ' O ' ' A' ' 33' ' ' GLU . 49.2 t -77.24 135.05 38.44 Favored 'General case' 0 C--N 1.322 -0.599 0 CA-C-N 115.719 -0.673 . . . . 0.0 110.722 -176.946 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 4.5 p -59.17 -40.31 85.24 Favored 'General case' 0 C--N 1.325 -0.475 0 CA-C-N 116.018 -0.537 . . . . 0.0 111.611 179.376 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 9' ' ' TYR . . . . . . . . . . . . . 56.3 t80 -75.61 -16.23 60.25 Favored 'General case' 0 C--N 1.322 -0.609 0 CA-C-N 115.829 -0.623 . . . . 0.0 111.477 -174.618 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 96.6 mt -111.06 -31.15 7.21 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.679 -0.237 . . . . 0.0 111.62 -176.796 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 31.2 mm-40 64.0 23.16 13.19 Favored 'General case' 0 N--CA 1.467 0.393 0 CA-C-O 121.059 0.457 . . . . 0.0 111.216 -179.028 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 10.8 ptm180 -144.55 179.14 7.47 Favored 'General case' 0 C--N 1.325 -0.49 0 CA-C-N 115.974 -0.557 . . . . 0.0 110.169 178.408 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 6.2 p-10 -59.87 133.44 56.1 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-N 115.761 -0.654 . . . . 0.0 110.18 174.959 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 14' ' ' ALA . . . . . 0.425 ' HB1' ' HB2' ' A' ' 35' ' ' SER . . . -145.38 167.24 23.38 Favored 'General case' 0 C--N 1.319 -0.719 0 CA-C-N 115.591 -0.731 . . . . 0.0 110.369 -179.186 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 38.3 tt0 -90.99 128.55 36.86 Favored 'General case' 0 C--N 1.323 -0.575 0 N-CA-C 109.672 -0.492 . . . . 0.0 109.672 -179.396 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . -60.84 153.4 37.77 Favored Glycine 0 N--CA 1.449 -0.466 0 C-N-CA 121.131 -0.557 . . . . 0.0 112.78 -179.282 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 17' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -66.27 171.3 4.9 Favored 'General case' 0 C--N 1.327 -0.376 0 C-N-CA 122.331 0.252 . . . . 0.0 110.95 179.254 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 28.8 m-20 -71.66 -87.57 0.02 OUTLIER 'General case' 0 N--CA 1.464 0.259 0 N-CA-C 112.358 0.503 . . . . 0.0 112.358 -174.143 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 36.9 p90 -163.19 -174.88 4.02 Favored 'General case' 0 C--O 1.237 0.442 0 CA-C-N 116.346 -0.388 . . . . 0.0 110.507 -175.69 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 72.9 mm-40 -74.36 98.5 3.27 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-O 121.353 0.597 . . . . 0.0 110.463 -179.268 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -104.03 5.15 35.15 Favored 'General case' 0 C--N 1.319 -0.749 0 CA-C-N 115.411 -0.813 . . . . 0.0 110.796 -178.948 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 22' ' ' TYR . . . . . 0.499 ' HB3' ' HD3' ' A' ' 23' ' ' PRO . 64.9 t80 -176.0 -49.57 0.0 OUTLIER Pre-proline 0 CA--C 1.534 0.343 0 CA-C-N 115.697 -0.683 . . . . 0.0 110.866 177.525 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 23' ' ' PRO . . . . . 0.499 ' HD3' ' HB3' ' A' ' 22' ' ' TYR . 4.6 Cg_exo -80.15 -171.45 1.25 Allowed 'Trans proline' 0 C--N 1.355 0.873 0 C-N-CA 122.055 1.837 . . . . 0.0 111.883 178.754 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 24' ' ' GLY . . . . . 0.402 ' O ' ' HG2' ' A' ' 28' ' ' LYS . . . -144.84 -83.93 0.06 OUTLIER Glycine 0 N--CA 1.445 -0.755 0 C-N-CA 120.872 -0.68 . . . . 0.0 111.799 177.859 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 18.1 mm-40 -71.69 -48.62 46.16 Favored 'General case' 0 C--N 1.324 -0.512 0 N-CA-C 110.215 -0.291 . . . . 0.0 110.215 -178.647 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 93.8 mt -62.34 -37.12 84.41 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 115.95 -0.568 . . . . 0.0 110.212 176.187 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . -55.46 -60.28 9.09 Favored Glycine 0 N--CA 1.448 -0.538 0 CA-C-N 115.503 -0.771 . . . . 0.0 112.501 -178.986 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 28' ' ' LYS . . . . . 0.402 ' HG2' ' O ' ' A' ' 24' ' ' GLY . 18.4 pttp -68.18 -30.07 69.09 Favored 'General case' 0 C--N 1.326 -0.454 0 C-N-CA 120.748 -0.381 . . . . 0.0 111.748 -176.157 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 37.0 ttp180 -65.58 -28.22 68.99 Favored 'General case' 0 C--N 1.331 -0.213 0 CA-C-O 120.791 0.329 . . . . 0.0 110.598 178.695 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 30' ' ' ILE . . . . . . . . . . . . . 92.8 mt -91.25 -39.26 11.56 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.528 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.815 178.354 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 31' ' ' TYR . . . . . . . . . . . . . 20.2 m-30 -55.54 -33.97 64.3 Favored 'General case' 0 N--CA 1.467 0.419 0 N-CA-C 112.63 0.604 . . . . 0.0 112.63 -177.49 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 32' ' ' ASN . . . . . . . . . . . . . 9.9 p30 -79.29 -11.77 59.94 Favored 'General case' 0 C--N 1.327 -0.373 0 C-N-CA 120.191 -0.604 . . . . 0.0 111.589 -176.992 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 33' ' ' GLU . . . . . 0.439 ' O ' ' HA ' ' A' ' 7' ' ' CYS . 8.3 mm-40 -112.43 -14.33 13.28 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 121.062 0.458 . . . . 0.0 110.736 -179.391 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 34' ' ' ILE . . . . . 0.423 HD13 ' HA ' ' A' ' 34' ' ' ILE . 24.4 mm -123.32 125.39 71.72 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.508 0 CA-C-O 121.441 0.638 . . . . 0.0 112.141 -172.89 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 35' ' ' SER . . . . . 0.425 ' HB2' ' HB1' ' A' ' 14' ' ' ALA . 44.3 t -80.63 161.78 24.53 Favored 'General case' 0 N--CA 1.449 -0.524 0 CA-C-N 114.989 -1.005 . . . . 0.0 110.138 175.713 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 39.7 mttm -52.54 -33.0 43.47 Favored 'General case' 0 C--N 1.325 -0.5 0 CA-C-N 115.7 -0.682 . . . . 0.0 110.709 174.299 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 12.4 t0 -59.22 -60.3 4.07 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 115.387 -0.824 . . . . 0.0 110.498 179.645 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -64.62 -35.16 80.1 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 115.822 -0.626 . . . . 0.0 111.361 -177.519 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 39' ' ' TRP . . . . . . . . . . . . . 66.0 t-105 -58.63 -45.24 89.68 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 115.782 -0.644 . . . . 0.0 109.977 177.505 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -69.34 -42.81 74.81 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 115.804 -0.634 . . . . 0.0 110.94 178.955 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 30.5 mm-40 -52.78 -54.63 31.35 Favored 'General case' 0 C--O 1.235 0.307 0 CA-C-N 116.133 -0.485 . . . . 0.0 111.447 179.894 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 42' ' ' TRP . . . . . . . . . . . . . 37.1 t-105 -67.55 -46.83 71.6 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 116.27 -0.423 . . . . 0.0 111.98 -174.713 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 43' ' ' GLN . . . . . . . . . . . . . 71.5 mt-30 -61.67 -27.83 68.96 Favored 'General case' 0 C--N 1.326 -0.451 0 C-N-CA 120.792 -0.363 . . . . 0.0 111.443 -176.789 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 44' ' ' HIS . . . . . . . . . . . . . 64.0 m170 -70.46 -46.54 63.6 Favored 'General case' 0 C--N 1.325 -0.459 0 CA-C-O 120.994 0.426 . . . . 0.0 109.875 175.342 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 45' ' ' LYS . . . . . 0.548 ' O ' ' HG ' ' A' ' 49' ' ' LEU . 4.2 tppp? -63.96 -45.98 86.7 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 115.637 -0.71 . . . . 0.0 111.398 -178.567 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 46' ' ' GLN . . . . . 0.484 ' O ' HG13 ' A' ' 50' ' ' ILE . 6.7 tp-100 -65.49 -40.74 93.41 Favored 'General case' 0 C--N 1.327 -0.386 0 C-N-CA 121.104 -0.238 . . . . 0.0 110.974 -178.099 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 88.3 m -56.62 -43.01 79.78 Favored 'General case' 0 C--O 1.235 0.327 0 CA-C-O 120.848 0.356 . . . . 0.0 110.044 176.102 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 48' ' ' MET . . . . . . . . . . . . . 15.2 tpt -61.35 -44.54 97.0 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 115.86 -0.609 . . . . 0.0 110.379 175.264 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 49' ' ' LEU . . . . . 0.548 ' HG ' ' O ' ' A' ' 45' ' ' LYS . 85.4 mt -61.38 -41.7 97.53 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.039 -179.558 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 50' ' ' ILE . . . . . 0.484 HG13 ' O ' ' A' ' 46' ' ' GLN . 77.8 mt -61.75 -33.65 58.63 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-O 120.767 0.318 . . . . 0.0 110.832 179.107 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 51' ' ' ASN . . . . . . . . . . . . . 87.8 m-20 -70.53 -29.52 66.03 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-O 120.901 0.381 . . . . 0.0 110.582 178.389 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 13.1 mm-40 -82.75 -46.12 13.55 Favored 'General case' 0 C--N 1.325 -0.485 0 CA-C-N 116.119 -0.491 . . . . 0.0 111.095 179.263 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 93.5 mttt -74.03 -27.73 61.08 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 115.646 -0.707 . . . . 0.0 111.248 -176.678 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 27.2 mtpp 63.27 30.41 15.74 Favored 'General case' 0 N--CA 1.467 0.412 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.767 179.937 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 4.1 pp -85.46 158.2 20.26 Favored 'General case' 0 C--N 1.325 -0.482 0 CA-C-O 121.073 0.463 . . . . 0.0 111.882 -173.313 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 56' ' ' ASN . . . . . . . . . . . . . 9.7 p30 -116.13 150.11 37.92 Favored 'General case' 0 C--N 1.324 -0.538 0 CA-C-N 115.55 -0.75 . . . . 0.0 109.189 175.205 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 57' ' ' MET . . . . . . . . . . . . . 26.3 mmt -89.11 15.77 8.24 Favored 'General case' 0 C--N 1.323 -0.562 0 N-CA-C 111.979 0.362 . . . . 0.0 111.979 -175.764 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 58' ' ' MET . . . . . . . . . . . . . 55.6 mtm -94.7 -2.92 50.28 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-O 121.04 0.448 . . . . 0.0 110.559 179.589 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 59' ' ' ASN . . . . . . . . . . . . . 14.8 m120 -116.24 132.7 56.59 Favored 'General case' 0 C--N 1.323 -0.577 0 CA-C-N 116.359 -0.382 . . . . 0.0 110.166 -179.095 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -57.43 -33.14 67.59 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.078 -0.51 . . . . 0.0 111.036 -179.153 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 30.2 mt-10 -52.41 -57.35 10.11 Favored 'General case' 0 C--O 1.235 0.34 0 CA-C-O 121.712 0.768 . . . . 0.0 110.547 176.712 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 62' ' ' HIS . . . . . . . . . . . . . 24.2 m80 -80.55 -24.09 39.51 Favored 'General case' 0 C--N 1.322 -0.629 0 CA-C-N 115.185 -0.916 . . . . 0.0 110.521 -173.73 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 63' ' ' ARG . . . . . . . . . . . . . 20.9 tpt180 -69.92 -42.2 73.62 Favored 'General case' 0 C--N 1.325 -0.457 0 CA-C-N 115.932 -0.577 . . . . 0.0 110.207 178.548 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 12.5 pttp -74.08 -22.59 59.45 Favored 'General case' 0 N--CA 1.455 -0.199 0 C-N-CA 120.659 -0.416 . . . . 0.0 110.044 179.476 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -57.88 -53.92 52.8 Favored 'General case' 0 CA--C 1.519 -0.214 0 CA-C-O 120.893 0.378 . . . . 0.0 110.1 171.749 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 55.0 tp -53.83 -46.61 71.23 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 115.368 -0.833 . . . . 0.0 110.622 178.389 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 31.9 tt0 -60.89 -51.48 69.13 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 115.866 -0.606 . . . . 0.0 111.021 -178.422 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 68' ' ' GLN . . . . . . . . . . . . . 52.3 mt-30 -52.17 -58.71 5.78 Favored 'General case' 0 C--O 1.234 0.259 0 CA-C-O 121.062 0.458 . . . . 0.0 111.316 179.042 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 42.1 mt-10 -63.72 -41.97 98.0 Favored 'General case' 0 C--N 1.325 -0.474 0 CA-C-N 115.433 -0.803 . . . . 0.0 111.372 -174.393 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 70' ' ' MET . . . . . . . . . . . . . 28.1 ttt -62.31 -49.83 74.07 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.483 -0.326 . . . . 0.0 111.188 -177.419 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 71' ' ' VAL . . . . . . . . . . . . . 60.6 t -65.96 -39.95 86.03 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.379 0 CA-C-N 116.469 -0.332 . . . . 0.0 110.718 -179.592 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 72' ' ' SER . . . . . 0.527 ' O ' ' HA ' ' A' ' 76' ' ' GLU . 23.3 t -67.1 -36.12 81.26 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-N 116.633 -0.258 . . . . 0.0 111.545 -177.137 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 73' ' ' PHE . . . . . . . . . . . . . 56.9 t80 -80.84 -46.82 14.73 Favored 'General case' 0 C--N 1.323 -0.575 0 CA-C-O 120.577 0.227 . . . . 0.0 111.193 -177.088 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 74' ' ' LEU . . . . . . . . . . . . . 96.4 mt -83.45 -52.57 6.4 Favored 'General case' 0 C--N 1.33 -0.28 0 N-CA-C 112.061 0.393 . . . . 0.0 112.061 -174.557 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 75' ' ' PHE . . . . . . . . . . . . . 48.1 t80 -87.71 -27.71 22.23 Favored 'General case' 0 C--N 1.323 -0.562 0 CA-C-O 120.661 0.267 . . . . 0.0 110.557 -175.228 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 76' ' ' GLU . . . . . 0.527 ' HA ' ' O ' ' A' ' 72' ' ' SER . 58.7 mt-10 72.85 -56.55 0.66 Allowed 'General case' 0 N--CA 1.468 0.442 0 C-N-CA 123.887 0.875 . . . . 0.0 112.148 176.808 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . -78.59 70.18 2.71 Favored Glycine 0 N--CA 1.452 -0.245 0 C-N-CA 121.396 -0.43 . . . . 0.0 113.057 -175.985 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -92.5 170.23 9.92 Favored 'General case' 0 C--N 1.324 -0.53 0 CA-C-O 120.757 0.313 . . . . 0.0 110.98 176.932 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 79' ' ' ASP . . . . . . . . . . . . . 16.8 t70 -113.87 -5.79 13.23 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-O 121.454 0.645 . . . . 0.0 110.215 179.808 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 80' ' ' VAL . . . . . . . . . . . . . 75.2 t . . . . . 0 C--N 1.325 -0.484 0 CA-C-N 115.658 -0.701 . . . . 0.0 111.081 -177.939 . . . . . . . . 0 0 . 1 . 002 nuclear build core ' A' A ' 3' ' ' ARG . . . . . . . . . . . . . 54.7 ttp180 . . . . . 0 N--CA 1.452 -0.33 0 N-CA-C 109.632 -0.507 . . . . 0.0 109.632 . . . . . . . . . 0 0 . 1 . 002 nuclear build core ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 56.7 m -80.7 117.42 21.36 Favored 'General case' 0 C--N 1.323 -0.568 0 CA-C-N 115.924 -0.58 . . . . 0.0 110.865 -177.637 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 5' ' ' ILE . . . . . 0.522 ' O ' ' HA ' ' A' ' 13' ' ' ASP . 2.7 pp -127.52 173.42 12.92 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.71 0 CA-C-N 115.771 -0.65 . . . . 0.0 110.428 -177.973 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 6' ' ' PHE . . . . . . . . . . . . . 99.4 m-85 -98.11 102.85 14.71 Favored 'General case' 0 C--N 1.323 -0.584 0 N-CA-C 109.431 -0.581 . . . . 0.0 109.431 174.915 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 7' ' ' CYS . . . . . 0.414 ' SG ' ' HA ' ' A' ' 34' ' ' ILE . 53.0 t -71.83 138.51 48.35 Favored 'General case' 0 C--N 1.321 -0.638 0 CA-C-N 115.907 -0.588 . . . . 0.0 110.501 -176.754 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 2.4 p -62.47 -41.38 98.74 Favored 'General case' 0 C--N 1.325 -0.487 0 N-CA-C 111.858 0.318 . . . . 0.0 111.858 -178.633 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 9' ' ' TYR . . . . . . . . . . . . . 75.4 t80 -71.19 -27.32 63.42 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-O 120.631 0.253 . . . . 0.0 111.457 -176.181 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 7.3 mp -100.61 -25.66 14.09 Favored 'General case' 0 C--N 1.325 -0.463 0 C-N-CA 121.056 -0.258 . . . . 0.0 111.363 -178.712 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 33.3 mm-40 66.19 9.71 6.53 Favored 'General case' 0 N--CA 1.468 0.453 0 C-N-CA 123.166 0.586 . . . . 0.0 110.978 -176.309 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 56.7 mtt180 -132.07 -176.93 4.23 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 115.969 -0.56 . . . . 0.0 109.871 -177.077 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 13' ' ' ASP . . . . . 0.522 ' HA ' ' O ' ' A' ' 5' ' ' ILE . 9.3 p-10 -78.32 134.57 37.47 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-O 121.592 0.71 . . . . 0.0 111.452 -176.591 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -152.53 179.98 8.1 Favored 'General case' 0 C--N 1.322 -0.615 0 CA-C-N 114.8 -1.091 . . . . 0.0 109.777 179.995 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 15' ' ' GLU . . . . . 0.558 ' O ' ' HA ' ' A' ' 35' ' ' SER . 10.7 tp10 -80.06 129.58 34.6 Favored 'General case' 0 C--N 1.324 -0.512 0 N-CA-C 109.522 -0.548 . . . . 0.0 109.522 179.431 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . -81.28 43.45 2.89 Favored Glycine 0 N--CA 1.452 -0.26 0 C-N-CA 121.258 -0.496 . . . . 0.0 113.794 -174.926 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 17' ' ' GLN . . . . . 0.458 ' NE2' ' HG2' ' A' ' 36' ' ' LYS . 1.4 tm0? 42.67 65.98 0.84 Allowed 'General case' 0 C--O 1.237 0.415 0 C-N-CA 123.386 0.675 . . . . 0.0 112.331 175.315 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 6.8 p-10 -67.26 119.81 12.76 Favored 'General case' 0 C--N 1.323 -0.555 0 CA-C-O 120.73 0.3 . . . . 0.0 110.605 177.736 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -174.42 -73.7 0.01 OUTLIER 'General case' 0 C--N 1.332 -0.193 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.339 179.484 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 14.5 mm-40 62.11 84.57 0.14 Allowed 'General case' 0 N--CA 1.467 0.403 0 O-C-N 123.581 0.55 . . . . 0.0 110.295 -172.176 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 21' ' ' LEU . . . . . 0.421 HD12 ' N ' ' A' ' 21' ' ' LEU . 3.6 mp -93.69 -74.71 0.52 Allowed 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 115.487 -0.778 . . . . 0.0 110.797 -173.563 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 22' ' ' TYR . . . . . 0.48 ' HB2' ' HD3' ' A' ' 23' ' ' PRO . 27.2 m-85 -113.65 -50.96 0.05 OUTLIER Pre-proline 0 C--N 1.327 -0.399 0 CA-C-N 115.945 -0.57 . . . . 0.0 111.427 -178.329 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 23' ' ' PRO . . . . . 0.48 ' HD3' ' HB2' ' A' ' 22' ' ' TYR . 6.0 Cg_exo -77.63 131.87 11.7 Favored 'Trans proline' 0 C--N 1.359 1.092 0 C-N-CA 121.947 1.765 . . . . 0.0 111.815 -179.107 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 24' ' ' GLY . . . . . 0.418 ' O ' ' HG2' ' A' ' 28' ' ' LYS . . . -91.73 -90.18 1.43 Allowed Glycine 0 N--CA 1.448 -0.539 0 C-N-CA 120.822 -0.704 . . . . 0.0 112.226 -177.733 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 25' ' ' GLU . . . . . 0.43 ' HA ' ' HE2' ' A' ' 28' ' ' LYS . 48.0 mt-10 -60.46 -48.0 83.67 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-O 120.409 0.147 . . . . 0.0 110.994 -178.682 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 64.3 tp -65.49 -35.88 82.18 Favored 'General case' 0 C--N 1.326 -0.445 0 CA-C-O 121.063 0.458 . . . . 0.0 110.2 177.805 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 27' ' ' GLY . . . . . 0.431 ' CA ' ' HB2' ' A' ' 23' ' ' PRO . . . -61.77 -54.54 34.64 Favored Glycine 0 N--CA 1.45 -0.408 0 CA-C-N 115.681 -0.69 . . . . 0.0 111.978 -179.71 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 28' ' ' LYS . . . . . 0.43 ' HE2' ' HA ' ' A' ' 25' ' ' GLU . 57.9 pttt -71.43 -21.94 61.91 Favored 'General case' 0 C--N 1.327 -0.374 0 C-N-CA 120.874 -0.33 . . . . 0.0 110.935 -179.222 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 79.3 ttt180 -63.31 -31.98 73.28 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-O 121.042 0.449 . . . . 0.0 110.192 175.063 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 30' ' ' ILE . . . . . . . . . . . . . 73.5 mt -86.28 -47.11 16.54 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 CA-C-N 116.0 -0.545 . . . . 0.0 110.613 176.656 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 31' ' ' TYR . . . . . . . . . . . . . 21.9 m-85 -68.04 -19.83 64.93 Favored 'General case' 0 N--CA 1.464 0.229 0 N-CA-C 112.542 0.571 . . . . 0.0 112.542 -173.851 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 32' ' ' ASN . . . . . . . . . . . . . 35.8 p30 -69.72 -15.92 63.24 Favored 'General case' 0 C--N 1.327 -0.397 0 O-C-N 122.221 -0.299 . . . . 0.0 111.599 -177.39 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 33' ' ' GLU . . . . . 0.406 ' O ' ' HA ' ' A' ' 7' ' ' CYS . 39.9 mt-10 -137.73 22.91 2.89 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-O 120.836 0.351 . . . . 0.0 110.932 177.12 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 34' ' ' ILE . . . . . 0.414 ' HA ' ' SG ' ' A' ' 7' ' ' CYS . 17.2 mm -130.8 124.1 55.81 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 CA-C-O 121.042 0.448 . . . . 0.0 110.993 178.576 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 35' ' ' SER . . . . . 0.558 ' HA ' ' O ' ' A' ' 15' ' ' GLU . 26.9 p -80.66 161.27 24.74 Favored 'General case' 0 N--CA 1.449 -0.507 0 CA-C-N 115.548 -0.751 . . . . 0.0 110.889 178.271 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 36' ' ' LYS . . . . . 0.458 ' HG2' ' NE2' ' A' ' 17' ' ' GLN . 95.9 mttt -62.83 -30.58 71.6 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-N 115.907 -0.588 . . . . 0.0 109.805 176.542 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 13.9 m-20 -63.53 -52.75 59.81 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 115.688 -0.687 . . . . 0.0 110.036 177.451 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -62.95 -44.04 97.14 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 115.897 -0.592 . . . . 0.0 110.842 -179.409 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 39' ' ' TRP . . . . . . . . . . . . . 68.0 t-105 -60.82 -53.44 57.37 Favored 'General case' 0 C--N 1.331 -0.216 0 CA-C-N 116.079 -0.509 . . . . 0.0 110.957 -179.936 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -62.31 -44.76 95.76 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.258 -0.428 . . . . 0.0 111.167 -177.252 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 80.8 mm-40 -64.9 -37.88 89.11 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 116.633 -0.258 . . . . 0.0 111.421 -179.066 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 42' ' ' TRP . . . . . 0.455 ' CZ2' ' HB3' ' A' ' 69' ' ' GLU . 24.2 t-105 -65.09 -49.74 68.83 Favored 'General case' 0 C--N 1.33 -0.27 0 C-N-CA 120.668 -0.413 . . . . 0.0 110.713 177.113 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 43' ' ' GLN . . . . . . . . . . . . . 29.3 mm-40 -60.92 -40.11 91.95 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-O 121.064 0.459 . . . . 0.0 110.247 -179.811 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 44' ' ' HIS . . . . . . . . . . . . . 10.1 t60 -63.97 -46.86 82.78 Favored 'General case' 0 C--N 1.324 -0.519 0 CA-C-N 115.701 -0.681 . . . . 0.0 110.367 178.591 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 24.8 tptp -61.13 -44.88 96.65 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 115.686 -0.688 . . . . 0.0 110.473 178.977 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 46' ' ' GLN . . . . . 0.447 ' O ' HG13 ' A' ' 50' ' ' ILE . 25.0 tp60 -60.68 -38.92 86.55 Favored 'General case' 0 C--N 1.325 -0.464 0 CA-C-N 115.798 -0.637 . . . . 0.0 110.494 178.673 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 64.1 m -58.68 -44.12 90.17 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.856 178.52 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 48' ' ' MET . . . . . . . . . . . . . 25.9 ttt -63.06 -44.35 96.07 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 121.002 0.43 . . . . 0.0 110.524 178.785 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 8.8 mp -61.93 -37.15 83.62 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 115.935 -0.575 . . . . 0.0 111.52 -179.058 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 50' ' ' ILE . . . . . 0.447 HG13 ' O ' ' A' ' 46' ' ' GLN . 84.6 mt -61.7 -41.6 91.08 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.346 0 CA-C-N 116.292 -0.413 . . . . 0.0 110.4 176.725 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 51' ' ' ASN . . . . . . . . . . . . . 27.7 m-80 -68.62 -41.04 80.05 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.016 -0.538 . . . . 0.0 110.738 178.959 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 51.4 mm-40 -68.02 -50.1 57.45 Favored 'General case' 0 C--N 1.325 -0.465 0 CA-C-N 115.943 -0.571 . . . . 0.0 112.055 -177.954 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 50.1 mtmt -88.54 0.02 56.76 Favored 'General case' 0 C--N 1.325 -0.459 0 C-N-CA 121.13 -0.228 . . . . 0.0 111.461 -174.408 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 13.8 mptt 58.3 69.34 0.74 Allowed 'General case' 0 C--O 1.234 0.243 0 CA-C-O 121.344 0.592 . . . . 0.0 111.358 178.373 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 20.0 mt -110.15 148.18 32.27 Favored 'General case' 0 C--N 1.322 -0.613 0 CA-C-N 115.796 -0.638 . . . . 0.0 109.779 178.491 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 56' ' ' ASN . . . . . . . . . . . . . 59.9 t30 -112.37 119.08 37.05 Favored 'General case' 0 C--N 1.323 -0.58 0 N-CA-C 109.059 -0.719 . . . . 0.0 109.059 171.954 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 57' ' ' MET . . . . . . . . . . . . . 0.7 OUTLIER -84.62 65.23 8.93 Favored 'General case' 0 C--N 1.323 -0.579 0 CA-C-O 121.408 0.623 . . . . 0.0 111.979 -169.127 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 58' ' ' MET . . . . . . . . . . . . . 24.8 ptt? -133.67 -27.44 1.51 Allowed 'General case' 0 C--N 1.323 -0.566 0 CA-C-N 115.386 -0.824 . . . . 0.0 110.119 173.93 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 59' ' ' ASN . . . . . . . . . . . . . 2.1 m-20 -74.81 141.23 44.34 Favored 'General case' 0 C--O 1.236 0.35 0 CA-C-N 116.274 -0.421 . . . . 0.0 110.705 -178.062 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -63.2 -25.56 68.39 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.582 178.764 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 6.3 mm-40 -61.65 -38.4 87.56 Favored 'General case' 0 C--N 1.325 -0.461 0 CA-C-N 115.865 -0.607 . . . . 0.0 110.908 177.815 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 62' ' ' HIS . . . . . . . . . . . . . 43.5 m80 -84.32 -19.19 34.13 Favored 'General case' 0 C--N 1.324 -0.507 0 C-N-CA 120.494 -0.483 . . . . 0.0 109.881 178.302 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 63' ' ' ARG . . . . . . . . . . . . . 33.5 mmt180 -69.84 -47.46 62.61 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.381 174.892 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -66.63 -35.27 79.77 Favored 'General case' 0 C--O 1.224 -0.271 0 C-N-CA 120.997 -0.281 . . . . 0.0 110.28 177.866 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 1.3 mm? -63.07 -47.57 82.38 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-O 120.902 0.382 . . . . 0.0 110.241 175.536 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 62.2 tp -59.68 -41.19 90.12 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 115.852 -0.613 . . . . 0.0 110.432 176.721 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 67' ' ' GLU . . . . . 0.422 ' O ' HG23 ' A' ' 71' ' ' VAL . 32.4 tt0 -63.99 -52.19 60.74 Favored 'General case' 0 C--N 1.324 -0.538 0 CA-C-N 115.863 -0.608 . . . . 0.0 110.64 -179.571 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 68' ' ' GLN . . . . . . . . . . . . . 49.4 mt-30 -57.51 -50.44 73.06 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.943 178.462 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 69' ' ' GLU . . . . . 0.455 ' HB3' ' CZ2' ' A' ' 42' ' ' TRP . 8.0 mm-40 -62.23 -39.7 93.69 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-N 115.995 -0.548 . . . . 0.0 111.498 -179.643 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 70' ' ' MET . . . . . . . . . . . . . 57.0 ttp -64.25 -47.3 80.14 Favored 'General case' 0 C--N 1.324 -0.536 0 CA-C-O 120.863 0.363 . . . . 0.0 110.845 179.882 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 71' ' ' VAL . . . . . 0.422 HG23 ' O ' ' A' ' 67' ' ' GLU . 47.1 t -73.59 -12.34 15.35 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.442 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.788 -178.907 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 8.0 t -94.14 -50.48 5.27 Favored 'General case' 0 C--N 1.325 -0.459 0 CA-C-O 120.85 0.357 . . . . 0.0 110.97 178.832 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 73' ' ' PHE . . . . . . . . . . . . . 70.9 t80 -70.04 -49.24 53.25 Favored 'General case' 0 C--N 1.323 -0.572 0 CA-C-O 120.953 0.406 . . . . 0.0 111.313 -176.303 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 74' ' ' LEU . . . . . 0.412 ' HB3' ' CD1' ' A' ' 34' ' ' ILE . 77.2 mt -78.31 -55.13 5.48 Favored 'General case' 0 C--N 1.323 -0.548 0 N-CA-C 112.138 0.421 . . . . 0.0 112.138 -173.489 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 75' ' ' PHE . . . . . . . . . . . . . 52.1 t80 -98.33 -40.47 8.3 Favored 'General case' 0 C--N 1.321 -0.638 0 CA-C-O 120.907 0.384 . . . . 0.0 111.023 -174.555 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 6.4 tp10 56.73 67.9 0.93 Allowed 'General case' 0 C--N 1.326 -0.45 0 CA-C-N 115.091 -0.959 . . . . 0.0 110.874 -174.064 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . -146.62 31.36 1.51 Allowed Glycine 0 N--CA 1.445 -0.766 0 CA-C-N 114.906 -1.043 . . . . 0.0 110.829 177.172 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 78' ' ' LYS . . . . . 0.436 ' O ' ' HD2' ' A' ' 78' ' ' LYS . 2.8 pptp? -94.23 144.36 25.58 Favored 'General case' 0 C--N 1.325 -0.497 0 CA-C-N 115.394 -0.403 . . . . 0.0 111.425 -175.112 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 79' ' ' ASP . . . . . . . . . . . . . 22.3 t70 -100.92 -26.09 13.86 Favored 'General case' 0 C--N 1.322 -0.598 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.316 174.969 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 80' ' ' VAL . . . . . . . . . . . . . 16.9 t . . . . . 0 C--N 1.329 -0.288 0 CA-C-N 115.74 -0.664 . . . . 0.0 110.587 -176.817 . . . . . . . . 0 0 . 1 . 003 nuclear build core ' A' A ' 3' ' ' ARG . . . . . . . . . . . . . 75.5 ttt180 . . . . . 0 N--CA 1.453 -0.284 0 N-CA-C 109.467 -0.568 . . . . 0.0 109.467 . . . . . . . . . 0 0 . 1 . 003 nuclear build core ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 11.5 p -76.36 124.07 26.94 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.313 -178.167 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 5' ' ' ILE . . . . . . . . . . . . . 2.7 pp -136.29 178.26 5.25 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.569 0 CA-C-N 115.856 -0.611 . . . . 0.0 110.401 179.828 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 6' ' ' PHE . . . . . . . . . . . . . 95.1 m-85 -112.96 101.87 9.89 Favored 'General case' 0 C--N 1.321 -0.661 0 N-CA-C 109.672 -0.492 . . . . 0.0 109.672 175.83 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 7' ' ' CYS . . . . . 0.546 ' HA ' ' O ' ' A' ' 33' ' ' GLU . 49.8 t -70.49 123.17 21.16 Favored 'General case' 0 C--N 1.323 -0.569 0 N-CA-C 109.902 -0.407 . . . . 0.0 109.902 179.954 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 11.4 p -66.66 -32.11 73.21 Favored 'General case' 0 C--N 1.322 -0.605 0 CA-C-N 116.291 -0.413 . . . . 0.0 111.968 -176.351 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 9' ' ' TYR . . . . . . . . . . . . . 89.2 t80 -65.12 -30.97 71.95 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-O 121.173 0.511 . . . . 0.0 110.61 177.263 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 85.1 mt -98.35 -29.23 13.27 Favored 'General case' 0 C--N 1.324 -0.532 0 CA-C-N 116.165 -0.47 . . . . 0.0 111.248 -176.86 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 84.4 mm-40 62.07 28.43 17.17 Favored 'General case' 0 N--CA 1.465 0.321 0 CA-C-O 121.453 0.644 . . . . 0.0 109.905 -174.923 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 20.7 mtp180 -139.42 174.14 10.82 Favored 'General case' 0 C--N 1.325 -0.498 0 CA-C-N 115.219 -0.9 . . . . 0.0 110.595 -174.273 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 18.2 t70 -68.04 127.66 33.7 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 115.983 -0.553 . . . . 0.0 109.622 175.019 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -143.78 172.42 12.86 Favored 'General case' 0 C--N 1.322 -0.626 0 CA-C-O 121.128 0.489 . . . . 0.0 111.268 -177.315 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 45.3 tt0 -100.25 132.1 45.81 Favored 'General case' 0 C--N 1.321 -0.645 0 CA-C-N 115.589 -0.732 . . . . 0.0 109.677 -179.042 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . -58.42 146.0 41.27 Favored Glycine 0 N--CA 1.448 -0.538 0 C-N-CA 120.975 -0.631 . . . . 0.0 111.618 176.002 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 17' ' ' GLN . . . . . . . . . . . . . 29.0 mt-30 -65.61 -88.36 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.447 0 CA-C-O 121.533 0.682 . . . . 0.0 111.868 -177.053 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 24.8 m-20 -142.3 -167.34 2.46 Favored 'General case' 0 C--N 1.32 -0.69 0 CA-C-N 115.405 -0.816 . . . . 0.0 109.782 -173.223 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 93.5 m-85 -107.96 177.15 4.9 Favored 'General case' 0 C--N 1.316 -0.874 0 CA-C-N 115.863 -0.608 . . . . 0.0 109.541 178.739 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 45.0 mt-30 -78.06 91.61 4.29 Favored 'General case' 0 C--N 1.322 -0.627 0 CA-C-O 120.999 0.428 . . . . 0.0 111.47 -176.765 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -98.0 -10.41 24.47 Favored 'General case' 0 C--N 1.323 -0.549 0 CA-C-N 115.753 -0.658 . . . . 0.0 111.165 178.816 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 22' ' ' TYR . . . . . 0.543 ' HB3' ' HD3' ' A' ' 23' ' ' PRO . 87.8 t80 -162.85 -53.15 0.01 OUTLIER Pre-proline 0 CA--C 1.539 0.528 0 N-CA-C 112.101 0.408 . . . . 0.0 112.101 177.101 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 23' ' ' PRO . . . . . 0.637 ' HB2' ' HA3' ' A' ' 27' ' ' GLY . 27.9 Cg_exo -65.07 148.66 89.51 Favored 'Trans proline' 0 C--N 1.354 0.828 0 C-N-CA 122.151 1.901 . . . . 0.0 112.783 -178.1 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -98.83 -109.42 2.93 Favored Glycine 0 CA--C 1.52 0.349 0 CA-C-N 116.178 -0.464 . . . . 0.0 113.266 -173.627 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 13.9 mm-40 -72.83 -43.14 63.04 Favored 'General case' 0 CA--C 1.517 -0.316 0 CA-C-O 120.837 0.351 . . . . 0.0 110.643 -175.975 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 26' ' ' LEU . . . . . 0.437 ' O ' HG13 ' A' ' 30' ' ' ILE . 51.1 tp -63.36 -34.4 77.64 Favored 'General case' 0 C--N 1.323 -0.574 0 N-CA-C 109.264 -0.643 . . . . 0.0 109.264 175.548 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 27' ' ' GLY . . . . . 0.637 ' HA3' ' HB2' ' A' ' 23' ' ' PRO . . . -59.2 -62.14 6.53 Favored Glycine 0 N--CA 1.446 -0.682 0 CA-C-N 115.195 -0.912 . . . . 0.0 112.79 179.012 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 7.0 ptpp? -57.16 -37.06 71.53 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-O 120.56 0.219 . . . . 0.0 111.038 -177.954 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 77.5 ttt180 -59.21 -45.14 91.89 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.895 0.379 . . . . 0.0 110.895 179.715 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 30' ' ' ILE . . . . . 0.437 HG13 ' O ' ' A' ' 26' ' ' LEU . 73.2 mt -72.23 -39.09 63.97 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.42 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.756 -179.286 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 31' ' ' TYR . . . . . . . . . . . . . 20.9 m-85 -63.84 -21.36 66.41 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.608 -0.269 . . . . 0.0 111.663 -179.992 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 32' ' ' ASN . . . . . . . . . . . . . 91.0 m-20 -84.15 -43.37 15.05 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 116.392 -0.367 . . . . 0.0 111.916 -178.882 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 33' ' ' GLU . . . . . 0.546 ' O ' ' HA ' ' A' ' 7' ' ' CYS . 40.0 mt-10 -112.47 -3.48 14.43 Favored 'General case' 0 C--N 1.326 -0.44 0 N-CA-C 112.544 0.572 . . . . 0.0 112.544 -168.356 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 34' ' ' ILE . . . . . . . . . . . . . 48.3 mm -120.24 136.58 56.82 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.696 0 CA-C-O 120.992 0.425 . . . . 0.0 110.408 178.379 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 9.3 t -99.28 167.98 10.32 Favored 'General case' 0 N--CA 1.444 -0.751 0 CA-C-N 115.887 -0.597 . . . . 0.0 110.283 -179.583 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 89.2 mttt -59.55 -31.27 69.27 Favored 'General case' 0 C--N 1.325 -0.48 0 CA-C-N 115.255 -0.884 . . . . 0.0 111.967 -176.001 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 36.4 t70 -63.12 -52.57 62.03 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.474 -0.33 . . . . 0.0 110.439 -178.74 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -66.87 -37.79 85.08 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.802 179.484 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 39' ' ' TRP . . . . . . . . . . . . . 76.8 t-105 -59.93 -52.12 66.75 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 115.832 -0.622 . . . . 0.0 110.947 179.026 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -69.73 -35.58 75.13 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-N 115.874 -0.603 . . . . 0.0 110.933 -179.356 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 24.3 tt0 -63.45 -54.37 37.54 Favored 'General case' 0 C--N 1.325 -0.459 0 CA-C-N 115.954 -0.566 . . . . 0.0 110.583 179.619 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 42' ' ' TRP . . . . . . . . . . . . . 33.1 t-105 -63.35 -48.28 78.6 Favored 'General case' 0 C--N 1.331 -0.203 0 CA-C-N 116.289 -0.414 . . . . 0.0 111.534 -175.207 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 43' ' ' GLN . . . . . . . . . . . . . 30.1 mt-30 -62.76 -43.99 97.36 Favored 'General case' 0 C--N 1.329 -0.293 0 C-N-CA 120.577 -0.449 . . . . 0.0 111.388 -177.276 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 44' ' ' HIS . . . . . . . . . . . . . 8.7 t-80 -66.91 -40.28 87.63 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-O 120.847 0.355 . . . . 0.0 110.321 -178.05 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 45' ' ' LYS . . . . . 0.463 ' O ' ' HG ' ' A' ' 49' ' ' LEU . 5.2 tmtm? -65.01 -47.7 76.55 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 115.943 -0.571 . . . . 0.0 109.587 177.759 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 46' ' ' GLN . . . . . . . . . . . . . 59.0 tp60 -61.87 -36.98 82.86 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 115.678 -0.692 . . . . 0.0 111.088 -179.993 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 85.4 m -57.55 -43.17 84.21 Favored 'General case' 0 C--N 1.331 -0.205 0 CA-C-O 120.838 0.351 . . . . 0.0 110.243 176.856 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 48' ' ' MET . . . . . . . . . . . . . 43.5 ttp -67.47 -34.88 78.07 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.05 -0.523 . . . . 0.0 110.656 178.128 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 49' ' ' LEU . . . . . 0.463 ' HG ' ' O ' ' A' ' 45' ' ' LYS . 75.2 mt -64.23 -48.81 74.37 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-O 121.168 0.509 . . . . 0.0 110.102 176.695 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 50' ' ' ILE . . . . . . . . . . . . . 86.0 mt -61.79 -36.92 76.58 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.394 0 CA-C-N 115.568 -0.742 . . . . 0.0 110.54 177.849 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 51' ' ' ASN . . . . . . . . . . . . . 67.2 t30 -62.98 -44.03 97.17 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 115.77 -0.65 . . . . 0.0 110.842 -178.251 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 24.6 mm-40 -76.3 -40.67 50.97 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.047 -0.524 . . . . 0.0 111.707 -179.227 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 47.4 mttp -72.0 -28.46 63.42 Favored 'General case' 0 C--N 1.323 -0.561 0 CA-C-N 116.41 -0.359 . . . . 0.0 110.887 -179.624 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 96.0 mttt 56.25 43.56 26.33 Favored 'General case' 0 N--CA 1.462 0.162 0 CA-C-N 115.734 -0.666 . . . . 0.0 110.167 -179.765 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 4.2 pp -90.06 162.39 15.36 Favored 'General case' 0 N--CA 1.452 -0.348 0 CA-C-N 115.476 -0.784 . . . . 0.0 110.763 -177.964 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 56' ' ' ASN . . . . . . . . . . . . . 38.1 t-20 -121.13 141.4 50.85 Favored 'General case' 0 C--N 1.323 -0.565 0 N-CA-C 109.869 -0.419 . . . . 0.0 109.869 179.363 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 57' ' ' MET . . . . . . . . . . . . . 0.8 OUTLIER -81.01 8.39 8.59 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.242 -0.435 . . . . 0.0 111.087 178.923 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 58' ' ' MET . . . . . . . . . . . . . 55.9 ttm -58.85 -38.38 78.62 Favored 'General case' 0 C--N 1.326 -0.455 0 CA-C-N 116.314 -0.403 . . . . 0.0 110.956 178.352 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 59' ' ' ASN . . . . . 0.422 ' O ' ' HG3' ' A' ' 63' ' ' ARG . 3.4 m-20 -91.35 142.57 27.55 Favored 'General case' 0 C--N 1.324 -0.508 0 CA-C-N 116.367 -0.379 . . . . 0.0 110.886 -179.48 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -67.81 -25.19 65.45 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.991 -178.554 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 14.2 mt-10 -52.95 -51.41 61.54 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 115.446 -0.797 . . . . 0.0 111.035 177.515 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 62' ' ' HIS . . . . . . . . . . . . . 93.7 m-70 -76.85 -23.06 52.7 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.681 -177.166 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 63' ' ' ARG . . . . . 0.422 ' HG3' ' O ' ' A' ' 59' ' ' ASN . 99.2 mtt180 -66.51 -51.56 55.39 Favored 'General case' 0 C--O 1.232 0.179 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.642 178.788 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 16.2 pttp -68.79 -31.75 70.98 Favored 'General case' 0 C--N 1.332 -0.167 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.363 -178.161 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 58.2 tp -62.43 -45.52 92.7 Favored 'General case' 0 C--N 1.332 -0.183 0 CA-C-N 116.332 -0.395 . . . . 0.0 110.266 178.104 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 66.6 tp -59.25 -46.09 89.43 Favored 'General case' 0 N--CA 1.454 -0.271 0 CA-C-N 115.91 -0.586 . . . . 0.0 110.332 177.801 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 44.0 tt0 -61.31 -50.08 74.43 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 115.971 -0.559 . . . . 0.0 110.816 179.394 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 68' ' ' GLN . . . . . . . . . . . . . 88.0 mt-30 -59.81 -52.45 65.39 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-N 115.883 -0.599 . . . . 0.0 111.803 -179.176 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 19.8 mt-10 -66.23 -29.41 69.65 Favored 'General case' 0 C--N 1.332 -0.16 0 C-N-CA 121.003 -0.279 . . . . 0.0 111.244 -178.895 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 70' ' ' MET . . . . . . . . . . . . . 27.0 ttt -61.27 -51.48 68.75 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-O 120.955 0.407 . . . . 0.0 110.239 177.529 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 71' ' ' VAL . . . . . . . . . . . . . 59.2 t -65.87 -35.55 75.39 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.418 0 CA-C-N 115.897 -0.592 . . . . 0.0 110.581 178.657 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 72' ' ' SER . . . . . 0.492 ' O ' ' HA ' ' A' ' 76' ' ' GLU . 32.3 t -71.68 -17.91 62.21 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-N 116.051 -0.522 . . . . 0.0 111.626 -178.237 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 73' ' ' PHE . . . . . . . . . . . . . 56.1 t80 -99.69 -46.98 5.24 Favored 'General case' 0 C--N 1.324 -0.505 0 C-N-CA 120.804 -0.358 . . . . 0.0 111.235 -179.807 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 74' ' ' LEU . . . . . . . . . . . . . 95.1 mt -72.99 -48.6 35.0 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.407 -0.361 . . . . 0.0 111.307 -177.307 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 75' ' ' PHE . . . . . . . . . . . . . 97.5 m-85 -94.02 -37.44 11.65 Favored 'General case' 0 C--N 1.326 -0.455 0 CA-C-N 116.614 -0.266 . . . . 0.0 110.549 -178.992 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 76' ' ' GLU . . . . . 0.492 ' HA ' ' O ' ' A' ' 72' ' ' SER . 38.8 mt-10 72.28 -48.04 0.67 Allowed 'General case' 0 N--CA 1.47 0.525 0 C-N-CA 123.793 0.837 . . . . 0.0 112.227 177.856 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . -77.55 63.15 3.42 Favored Glycine 0 N--CA 1.45 -0.377 0 C-N-CA 121.398 -0.429 . . . . 0.0 112.849 -177.053 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 78' ' ' LYS . . . . . 0.503 ' O ' ' HD2' ' A' ' 78' ' ' LYS . 0.0 OUTLIER -103.2 158.75 16.1 Favored 'General case' 0 C--N 1.321 -0.64 0 O-C-N 122.692 -0.299 . . . . 0.0 110.256 176.718 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 79' ' ' ASP . . . . . . . . . . . . . 5.7 p-10 -111.45 4.6 19.01 Favored 'General case' 0 C--N 1.323 -0.569 0 N-CA-C 109.346 -0.613 . . . . 0.0 109.346 173.949 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 80' ' ' VAL . . . . . . . . . . . . . 47.9 t . . . . . 0 N--CA 1.448 -0.54 0 CA-C-N 115.398 -0.819 . . . . 0.0 109.938 177.819 . . . . . . . . 0 0 . 1 . 004 nuclear build core ' A' A ' 3' ' ' ARG . . . . . . . . . . . . . 8.5 tpm_? . . . . . 0 N--CA 1.452 -0.333 0 N-CA-C 109.169 -0.678 . . . . 0.0 109.169 . . . . . . . . . 0 0 . 1 . 004 nuclear build core ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 49.9 p -105.81 151.1 24.92 Favored 'General case' 0 C--N 1.321 -0.632 0 CA-C-N 115.783 -0.644 . . . . 0.0 110.944 -178.71 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 5' ' ' ILE . . . . . 0.435 HG13 ' CA ' ' A' ' 16' ' ' GLY . 2.5 pp -138.54 172.87 13.21 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.543 0 CA-C-N 115.715 -0.675 . . . . 0.0 110.288 -179.782 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 6' ' ' PHE . . . . . . . . . . . . . 96.2 m-85 -91.52 98.73 11.85 Favored 'General case' 0 C--N 1.322 -0.587 0 CA-C-O 121.124 0.488 . . . . 0.0 109.714 175.735 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 53.8 t -71.57 137.46 48.05 Favored 'General case' 0 C--N 1.324 -0.511 0 CA-C-N 115.678 -0.692 . . . . 0.0 110.437 -177.509 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 1.8 p -64.63 -46.24 83.42 Favored 'General case' 0 C--N 1.323 -0.547 0 CA-C-N 116.338 -0.392 . . . . 0.0 111.329 179.96 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 9' ' ' TYR . . . . . . . . . . . . . 74.1 t80 -70.53 -31.57 68.7 Favored 'General case' 0 C--N 1.325 -0.467 0 CA-C-N 115.781 -0.645 . . . . 0.0 111.754 -176.158 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 85.4 mt -96.87 -23.34 16.4 Favored 'General case' 0 C--N 1.326 -0.419 0 C-N-CA 120.942 -0.303 . . . . 0.0 111.475 -176.656 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 29.4 mm-40 62.52 21.24 12.5 Favored 'General case' 0 N--CA 1.47 0.567 0 C-N-CA 122.865 0.466 . . . . 0.0 111.383 -179.467 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 94.2 mtt180 -135.57 169.69 17.13 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 116.06 -0.518 . . . . 0.0 111.008 -177.051 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 13' ' ' ASP . . . . . 0.41 ' HA ' ' O ' ' A' ' 5' ' ' ILE . 23.3 t70 -80.74 106.46 12.76 Favored 'General case' 0 C--N 1.323 -0.544 0 CA-C-N 115.364 -0.834 . . . . 0.0 109.645 174.961 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -134.63 179.35 6.35 Favored 'General case' 0 C--N 1.323 -0.553 0 CA-C-N 115.805 -0.634 . . . . 0.0 110.373 -175.611 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 15' ' ' GLU . . . . . 0.566 ' O ' ' HA ' ' A' ' 35' ' ' SER . 8.0 mm-40 -52.37 128.02 24.12 Favored 'General case' 0 C--N 1.331 -0.212 0 O-C-N 123.226 0.329 . . . . 0.0 111.06 179.729 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 16' ' ' GLY . . . . . 0.435 ' CA ' HG13 ' A' ' 5' ' ' ILE . . . -93.17 46.67 2.42 Favored Glycine 0 N--CA 1.443 -0.898 0 C-N-CA 120.854 -0.689 . . . . 0.0 111.971 -179.885 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 17' ' ' GLN . . . . . 0.411 ' HB3' ' H ' ' A' ' 18' ' ' ASP . 0.9 OUTLIER 57.87 -152.75 0.39 Allowed 'General case' 0 N--CA 1.454 -0.273 0 O-C-N 124.037 0.493 . . . . 0.0 111.096 -179.822 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 18' ' ' ASP . . . . . 0.411 ' H ' ' HB3' ' A' ' 17' ' ' GLN . 4.8 m-20 -113.1 -167.9 1.25 Allowed 'General case' 0 C--N 1.323 -0.55 0 N-CA-C 109.504 -0.554 . . . . 0.0 109.504 178.563 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 19' ' ' PHE . . . . . 0.4 ' O ' ' HG ' ' A' ' 21' ' ' LEU . 96.2 m-85 -94.07 -176.14 3.91 Favored 'General case' 0 C--N 1.322 -0.624 0 CA-C-O 120.588 0.233 . . . . 0.0 110.682 -179.19 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 20' ' ' GLN . . . . . 0.535 HE22 ' HB3' ' A' ' 28' ' ' LYS . 8.3 mp0 -61.41 96.34 0.06 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 121.152 0.501 . . . . 0.0 110.788 177.834 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 21' ' ' LEU . . . . . 0.4 ' HG ' ' O ' ' A' ' 19' ' ' PHE . 0.8 OUTLIER -111.27 -3.22 15.42 Favored 'General case' 0 C--N 1.321 -0.642 0 CA-C-N 115.596 -0.729 . . . . 0.0 110.8 177.732 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 22' ' ' TYR . . . . . 0.543 ' HB3' ' HD3' ' A' ' 23' ' ' PRO . 91.9 t80 -174.04 -53.7 0.0 OUTLIER Pre-proline 0 CA--C 1.538 0.497 0 CA-C-N 115.611 -0.722 . . . . 0.0 110.802 179.408 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 23' ' ' PRO . . . . . 0.543 ' HD3' ' HB3' ' A' ' 22' ' ' TYR . 94.7 Cg_endo -86.0 145.64 8.77 Favored 'Trans proline' 0 C--N 1.354 0.834 0 C-N-CA 121.429 1.419 . . . . 0.0 112.094 178.539 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -103.44 -98.29 2.47 Favored Glycine 0 N--CA 1.446 -0.693 0 C-N-CA 120.95 -0.643 . . . . 0.0 112.498 -177.144 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 11.8 pt-20 -70.81 -39.32 73.13 Favored 'General case' 0 C--N 1.328 -0.359 0 N-CA-C 111.72 0.267 . . . . 0.0 111.72 -174.721 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 58.3 tp -69.6 -39.1 77.44 Favored 'General case' 0 C--N 1.326 -0.437 0 N-CA-C 109.361 -0.607 . . . . 0.0 109.361 178.236 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . -59.26 -54.3 39.04 Favored Glycine 0 N--CA 1.444 -0.771 0 CA-C-N 115.25 -0.886 . . . . 0.0 112.157 178.443 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 28' ' ' LYS . . . . . 0.535 ' HB3' HE22 ' A' ' 20' ' ' GLN . 18.3 ptpt -63.32 -34.35 77.5 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.748 0.274 . . . . 0.0 111.367 -176.532 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 79.8 ttt180 -61.29 -39.14 89.33 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.832 0.349 . . . . 0.0 110.392 -179.925 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 30' ' ' ILE . . . . . . . . . . . . . 57.9 mt -83.3 -45.5 18.76 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.522 0 CA-C-N 116.369 -0.378 . . . . 0.0 111.334 -179.226 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 31' ' ' TYR . . . . . . . . . . . . . 5.1 m-30 -56.83 -35.49 68.88 Favored 'General case' 0 N--CA 1.467 0.397 0 N-CA-C 112.525 0.565 . . . . 0.0 112.525 -175.5 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 32' ' ' ASN . . . . . . . . . . . . . 23.4 m-80 -71.89 -3.7 23.94 Favored 'General case' 0 C--N 1.329 -0.301 0 N-CA-C 112.181 0.437 . . . . 0.0 112.181 -176.755 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 38.7 mt-10 -139.45 11.3 2.53 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-O 120.662 0.268 . . . . 0.0 110.891 179.075 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 34' ' ' ILE . . . . . 0.417 HD11 ' O ' ' A' ' 74' ' ' LEU . 13.5 mm -135.61 124.06 38.53 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.418 0 CA-C-O 121.203 0.525 . . . . 0.0 111.087 -178.556 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 35' ' ' SER . . . . . 0.566 ' HA ' ' O ' ' A' ' 15' ' ' GLU . 13.7 m -79.63 163.98 24.16 Favored 'General case' 0 C--N 1.322 -0.607 0 CA-C-N 115.592 -0.731 . . . . 0.0 110.803 178.113 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 36' ' ' LYS . . . . . 0.409 ' HG2' ' HA ' ' A' ' 17' ' ' GLN . 87.9 mttt -59.95 -34.2 72.94 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.002 -0.545 . . . . 0.0 110.812 -177.066 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 35.3 m-20 -64.67 -47.09 79.71 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 115.947 -0.57 . . . . 0.0 110.745 -178.676 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -67.38 -39.72 85.66 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.046 -0.525 . . . . 0.0 110.806 -178.165 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 39' ' ' TRP . . . . . . . . . . . . . 59.4 t-105 -64.0 -50.59 67.93 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.062 -0.517 . . . . 0.0 110.654 178.892 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -64.02 -37.72 88.47 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 115.994 -0.548 . . . . 0.0 111.027 -178.011 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 24.7 tm0? -65.8 -49.75 67.15 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 115.899 -0.592 . . . . 0.0 110.873 -179.297 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 42' ' ' TRP . . . . . 0.472 ' NE1' ' HA ' ' A' ' 70' ' ' MET . 70.1 t-105 -67.48 -37.54 83.03 Favored 'General case' 0 C--N 1.329 -0.297 0 C-N-CA 120.65 -0.42 . . . . 0.0 111.123 -176.134 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 43' ' ' GLN . . . . . . . . . . . . . 51.8 mt-30 -64.32 -39.27 93.57 Favored 'General case' 0 C--N 1.328 -0.34 0 C-N-CA 120.567 -0.453 . . . . 0.0 110.605 176.381 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 44' ' ' HIS . . . . . . . . . . . . . 46.8 t-80 -63.08 -43.85 97.39 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 121.247 0.546 . . . . 0.0 109.539 177.181 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 17.1 tppt? -59.02 -54.72 43.89 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-N 115.318 -0.856 . . . . 0.0 110.809 177.009 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 46' ' ' GLN . . . . . 0.511 ' O ' HG13 ' A' ' 50' ' ' ILE . 54.1 tp60 -59.4 -39.77 84.47 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.009 -0.542 . . . . 0.0 111.143 -176.317 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 70.3 m -57.75 -42.42 83.9 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-O 120.845 0.355 . . . . 0.0 110.479 178.465 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 48' ' ' MET . . . . . . . . . . . . . 17.5 tmm? -63.55 -44.22 94.77 Favored 'General case' 0 C--N 1.332 -0.194 0 N-CA-C 109.877 -0.416 . . . . 0.0 109.877 177.37 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 9.9 mp -57.95 -43.14 86.23 Favored 'General case' 0 C--N 1.331 -0.239 0 CA-C-N 116.047 -0.524 . . . . 0.0 111.038 178.854 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 50' ' ' ILE . . . . . 0.511 HG13 ' O ' ' A' ' 46' ' ' GLN . 76.5 mt -59.12 -42.82 87.8 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.407 -0.36 . . . . 0.0 111.528 -179.096 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 51' ' ' ASN . . . . . . . . . . . . . 45.9 m-80 -73.17 -35.59 66.45 Favored 'General case' 0 N--CA 1.466 0.369 0 CA-C-O 120.824 0.345 . . . . 0.0 111.462 -178.376 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 7.1 mm-40 -77.78 -38.81 45.91 Favored 'General case' 0 C--N 1.321 -0.665 0 CA-C-O 120.946 0.403 . . . . 0.0 111.517 -177.858 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 67.6 mttm -80.07 -17.61 52.23 Favored 'General case' 0 C--N 1.321 -0.669 0 CA-C-N 116.266 -0.425 . . . . 0.0 110.633 178.702 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 96.5 mttt 57.65 59.93 3.03 Favored 'General case' 0 C--O 1.236 0.365 0 CA-C-N 115.627 -0.715 . . . . 0.0 110.769 -179.684 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 4.3 pp -115.15 139.03 50.25 Favored 'General case' 0 C--N 1.323 -0.574 0 CA-C-N 115.887 -0.597 . . . . 0.0 110.765 -178.98 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 56' ' ' ASN . . . . . . . . . . . . . 12.0 t30 -116.44 147.06 42.06 Favored 'General case' 0 C--N 1.321 -0.656 0 N-CA-C 109.421 -0.585 . . . . 0.0 109.421 176.757 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 57' ' ' MET . . . . . . . . . . . . . 24.3 mmt -77.66 73.28 4.23 Favored 'General case' 0 C--N 1.326 -0.455 0 CA-C-O 121.533 0.683 . . . . 0.0 110.951 -177.839 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 58' ' ' MET . . . . . . . . . . . . . 24.4 ptt? -130.03 -21.92 2.93 Favored 'General case' 0 C--N 1.321 -0.632 0 CA-C-N 115.211 -0.904 . . . . 0.0 110.006 176.866 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 59' ' ' ASN . . . . . . . . . . . . . 49.5 t-20 -118.44 129.0 55.14 Favored 'General case' 0 C--O 1.237 0.416 0 CA-C-N 115.646 -0.706 . . . . 0.0 109.166 178.606 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -61.85 -20.08 63.29 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.068 -0.514 . . . . 0.0 111.834 -177.421 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 61' ' ' GLU . . . . . 0.515 ' O ' ' HG2' ' A' ' 64' ' ' LYS . 22.0 mm-40 -55.23 -39.95 70.31 Favored 'General case' 0 C--N 1.332 -0.175 0 CA-C-O 120.874 0.369 . . . . 0.0 111.49 178.003 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 62' ' ' HIS . . . . . . . . . . . . . 98.4 m-70 -86.64 -20.22 28.16 Favored 'General case' 0 C--N 1.323 -0.555 0 C-N-CA 120.699 -0.4 . . . . 0.0 110.593 -177.83 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 63' ' ' ARG . . . . . . . . . . . . . 6.9 tpp180 -73.4 -42.74 61.75 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-N 116.097 -0.502 . . . . 0.0 109.821 174.507 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 64' ' ' LYS . . . . . 0.515 ' HG2' ' O ' ' A' ' 61' ' ' GLU . 54.7 pttt -65.92 -40.05 91.08 Favored 'General case' 0 C--O 1.225 -0.186 0 CA-C-N 116.44 -0.346 . . . . 0.0 110.235 179.383 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 1.3 mm? -60.58 -49.34 77.94 Favored 'General case' 0 C--O 1.233 0.215 0 CA-C-O 120.62 0.248 . . . . 0.0 110.763 177.52 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 7.7 tt -56.26 -44.08 79.37 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 115.998 -0.546 . . . . 0.0 110.463 177.878 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 33.1 tt0 -63.95 -46.65 83.76 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.741 -179.228 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 68' ' ' GLN . . . . . 0.501 ' HG3' ' O ' ' A' ' 64' ' ' LYS . 55.2 mt-30 -56.05 -51.94 66.04 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.033 -0.53 . . . . 0.0 111.251 179.75 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 41.6 mt-10 -68.47 -40.91 80.84 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 116.365 -0.38 . . . . 0.0 111.192 -177.507 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 70' ' ' MET . . . . . 0.472 ' HA ' ' NE1' ' A' ' 42' ' ' TRP . 52.9 ttm -61.88 -51.17 69.26 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.521 -0.309 . . . . 0.0 111.224 -179.381 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 71' ' ' VAL . . . . . . . . . . . . . 69.8 t -64.19 -34.79 71.16 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.396 0 CA-C-N 116.444 -0.344 . . . . 0.0 110.726 -179.665 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 8.3 t -67.96 -36.34 79.9 Favored 'General case' 0 C--N 1.324 -0.501 0 CA-C-O 120.589 0.233 . . . . 0.0 111.245 -178.027 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 73' ' ' PHE . . . . . . . . . . . . . 75.8 t80 -84.84 -56.88 3.35 Favored 'General case' 0 C--N 1.327 -0.37 0 C-N-CA 121.099 -0.24 . . . . 0.0 111.344 -177.428 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 74' ' ' LEU . . . . . 0.417 ' O ' HD11 ' A' ' 34' ' ' ILE . 92.7 mt -71.44 -54.71 9.75 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-O 120.989 0.423 . . . . 0.0 111.572 -174.518 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 75' ' ' PHE . . . . . . . . . . . . . 78.0 t80 -78.34 -42.62 30.05 Favored 'General case' 0 C--N 1.321 -0.665 0 CA-C-N 116.277 -0.419 . . . . 0.0 110.382 -177.098 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 9.4 tp10 62.49 92.37 0.06 Allowed 'General case' 0 C--O 1.234 0.248 0 O-C-N 124.001 0.813 . . . . 0.0 110.846 -178.93 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . 141.33 51.22 0.04 OUTLIER Glycine 0 N--CA 1.445 -0.747 0 CA-C-N 115.505 -0.77 . . . . 0.0 112.281 -179.98 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 78' ' ' LYS . . . . . 0.608 ' O ' ' HD2' ' A' ' 78' ' ' LYS . 0.0 OUTLIER -92.23 145.94 24.1 Favored 'General case' 0 C--N 1.324 -0.502 0 CA-C-O 120.98 0.419 . . . . 0.0 110.736 177.967 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 79' ' ' ASP . . . . . . . . . . . . . 2.8 m-20 -95.33 -8.89 34.49 Favored 'General case' 0 C--N 1.322 -0.603 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.692 177.422 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 80' ' ' VAL . . . . . . . . . . . . . 20.1 t . . . . . 0 C--N 1.325 -0.495 0 CA-C-N 116.03 -0.532 . . . . 0.0 110.528 -178.558 . . . . . . . . 0 0 . 1 . 005 nuclear build core ' A' A ' 3' ' ' ARG . . . . . . . . . . . . . 14.0 tpp180 . . . . . 0 N--CA 1.453 -0.286 0 CA-C-O 121.175 0.512 . . . . 0.0 110.131 . . . . . . . . . 0 0 . 1 . 005 nuclear build core ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 5.8 p -90.24 110.72 21.76 Favored 'General case' 0 C--N 1.32 -0.709 0 CA-C-N 115.597 -0.728 . . . . 0.0 110.995 -178.042 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 5' ' ' ILE . . . . . . . . . . . . . 27.6 pt -105.18 156.63 6.17 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.528 0 CA-C-N 116.019 -0.537 . . . . 0.0 110.154 178.136 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 6' ' ' PHE . . . . . . . . . . . . . 63.6 m-85 -109.03 93.7 4.65 Favored 'General case' 0 C--N 1.32 -0.703 0 N-CA-C 108.879 -0.785 . . . . 0.0 108.879 174.747 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 7' ' ' CYS . . . . . 0.535 ' HA ' ' O ' ' A' ' 33' ' ' GLU . 37.1 m -57.45 137.78 55.81 Favored 'General case' 0 C--N 1.325 -0.487 0 CA-C-N 115.699 -0.682 . . . . 0.0 110.818 -176.835 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 1.7 p -65.07 -40.66 95.0 Favored 'General case' 0 C--N 1.319 -0.723 0 CA-C-O 120.789 0.328 . . . . 0.0 111.063 -179.738 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 9' ' ' TYR . . . . . . . . . . . . . 45.3 t80 -71.98 -37.95 69.78 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 115.984 -0.553 . . . . 0.0 111.686 -178.722 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 10' ' ' LEU . . . . . 0.408 ' HB2' ' HB2' ' A' ' 7' ' ' CYS . 93.2 mt -92.36 -33.75 14.46 Favored 'General case' 0 C--N 1.326 -0.437 0 C-N-CA 121.087 -0.245 . . . . 0.0 111.628 -174.902 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 80.9 mm-40 59.95 33.42 21.45 Favored 'General case' 0 N--CA 1.464 0.237 0 CA-C-O 121.476 0.655 . . . . 0.0 110.789 -177.056 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 12' ' ' ARG . . . . . 0.406 ' HG3' ' O ' ' A' ' 10' ' ' LEU . 43.7 mtt180 -135.55 173.45 11.7 Favored 'General case' 0 C--N 1.326 -0.434 0 N-CA-C 108.515 -0.92 . . . . 0.0 108.515 179.38 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 3.9 p-10 -82.38 129.26 34.84 Favored 'General case' 0 C--N 1.321 -0.643 0 CA-C-O 121.639 0.733 . . . . 0.0 110.238 179.366 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -140.23 179.73 6.47 Favored 'General case' 0 C--N 1.316 -0.86 0 CA-C-N 115.083 -0.962 . . . . 0.0 109.151 178.629 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 32.6 tt0 -98.24 128.0 44.47 Favored 'General case' 0 C--N 1.318 -0.77 0 N-CA-C 109.749 -0.463 . . . . 0.0 109.749 179.427 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . -61.8 145.69 48.98 Favored Glycine 0 N--CA 1.446 -0.676 0 C-N-CA 120.813 -0.708 . . . . 0.0 111.742 178.312 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 17' ' ' GLN . . . . . 0.47 ' HB3' ' HB3' ' A' ' 31' ' ' TYR . 14.1 tm0? -63.48 124.1 20.47 Favored 'General case' 0 C--N 1.321 -0.64 0 N-CA-C 109.419 -0.586 . . . . 0.0 109.419 -179.352 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 7.7 p-10 -83.09 116.83 22.48 Favored 'General case' 0 C--N 1.323 -0.556 0 CA-C-N 115.662 -0.699 . . . . 0.0 112.001 -172.92 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 86.3 m-85 70.19 115.83 0.04 OUTLIER 'General case' 0 N--CA 1.465 0.284 0 CA-C-N 114.638 -1.164 . . . . 0.0 112.651 173.566 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 53.0 mt-30 -56.59 112.56 1.31 Allowed 'General case' 0 N--CA 1.453 -0.282 0 CA-C-N 115.327 -0.851 . . . . 0.0 109.898 174.871 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 21' ' ' LEU . . . . . 0.627 ' H ' HD12 ' A' ' 21' ' ' LEU . 0.7 OUTLIER -74.1 -37.87 64.03 Favored 'General case' 0 C--N 1.321 -0.669 0 CA-C-N 115.846 -0.615 . . . . 0.0 110.803 -172.307 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 22' ' ' TYR . . . . . 0.497 ' HB3' ' HD3' ' A' ' 23' ' ' PRO . 70.2 t80 -160.88 -49.0 0.01 OUTLIER Pre-proline 0 C--N 1.325 -0.485 0 CA-C-N 116.103 -0.499 . . . . 0.0 111.52 -178.543 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 23' ' ' PRO . . . . . 0.497 ' HD3' ' HB3' ' A' ' 22' ' ' TYR . 21.4 Cg_exo -66.02 134.96 38.9 Favored 'Trans proline' 0 C--N 1.357 0.984 0 C-N-CA 121.571 1.514 . . . . 0.0 111.898 179.556 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -93.59 -95.22 1.52 Allowed Glycine 0 N--CA 1.448 -0.544 0 C-N-CA 120.899 -0.667 . . . . 0.0 112.351 -175.486 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 34.9 tt0 -57.65 -51.92 67.54 Favored 'General case' 0 C--N 1.323 -0.561 0 CA-C-O 120.899 0.381 . . . . 0.0 110.696 -178.215 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 54.6 tp -62.67 -36.97 84.62 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-N 115.854 -0.612 . . . . 0.0 110.264 178.243 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 27' ' ' GLY . . . . . 0.444 ' CA ' ' HB2' ' A' ' 23' ' ' PRO . . . -57.93 -64.29 4.48 Favored Glycine 0 N--CA 1.448 -0.52 0 CA-C-N 115.358 -0.837 . . . . 0.0 112.687 -177.537 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 61.5 pttt -66.64 -27.53 67.76 Favored 'General case' 0 C--N 1.327 -0.406 0 C-N-CA 121.051 -0.26 . . . . 0.0 111.079 -175.21 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 70.8 ttt180 -59.79 -36.99 77.85 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-O 120.941 0.401 . . . . 0.0 110.41 177.933 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 30' ' ' ILE . . . . . . . . . . . . . 62.8 mt -91.62 -47.97 14.0 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.378 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.154 179.727 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 31' ' ' TYR . . . . . 0.47 ' HB3' ' HB3' ' A' ' 17' ' ' GLN . 18.7 m-85 -63.44 -18.32 63.63 Favored 'General case' 0 N--CA 1.466 0.348 0 N-CA-C 113.19 0.811 . . . . 0.0 113.19 -172.567 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 32' ' ' ASN . . . . . . . . . . . . . 1.4 p30 -87.84 -11.43 47.89 Favored 'General case' 0 C--N 1.33 -0.282 0 C-N-CA 120.388 -0.525 . . . . 0.0 110.748 -179.548 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 33' ' ' GLU . . . . . 0.535 ' O ' ' HA ' ' A' ' 7' ' ' CYS . 43.6 mt-10 -130.27 10.5 5.33 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-O 120.909 0.385 . . . . 0.0 111.061 -178.749 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 34' ' ' ILE . . . . . 0.484 HD11 ' O ' ' A' ' 74' ' ' LEU . 6.5 mm -134.92 126.82 47.7 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-O 121.056 0.455 . . . . 0.0 110.466 178.755 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 35' ' ' SER . . . . . 0.456 ' HB2' ' SG ' ' A' ' 7' ' ' CYS . 32.9 t -70.19 155.67 40.31 Favored 'General case' 0 C--N 1.323 -0.555 0 CA-C-N 115.496 -0.774 . . . . 0.0 110.43 178.535 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 63.3 mttt -60.0 -34.32 73.18 Favored 'General case' 0 C--N 1.325 -0.471 0 CA-C-N 115.609 -0.723 . . . . 0.0 110.692 -178.31 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 4.7 p-10 -72.63 -39.84 66.91 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.613 -178.669 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -65.56 -40.11 92.44 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-O 121.002 0.429 . . . . 0.0 110.299 178.89 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 39' ' ' TRP . . . . . 0.452 ' O ' ' HG3' ' A' ' 43' ' ' GLN . 70.6 t-105 -61.93 -47.27 85.68 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 115.628 -0.715 . . . . 0.0 110.162 176.275 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -63.72 -42.3 97.95 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 115.885 -0.598 . . . . 0.0 111.655 -178.394 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 26.9 mm-40 -58.92 -41.42 87.26 Favored 'General case' 0 C--O 1.235 0.337 0 CA-C-N 116.231 -0.44 . . . . 0.0 111.284 179.759 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 42' ' ' TRP . . . . . . . . . . . . . 35.3 t-105 -67.4 -42.94 82.48 Favored 'General case' 0 C--N 1.328 -0.329 0 C-N-CA 120.742 -0.383 . . . . 0.0 110.969 179.353 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 43' ' ' GLN . . . . . 0.452 ' HG3' ' O ' ' A' ' 39' ' ' TRP . 37.4 mt-30 -59.37 -36.43 75.74 Favored 'General case' 0 C--N 1.331 -0.211 0 CA-C-O 120.819 0.342 . . . . 0.0 110.775 179.185 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 44' ' ' HIS . . . . . . . . . . . . . 23.3 t-80 -58.92 -51.15 71.25 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 115.863 -0.608 . . . . 0.0 110.404 177.921 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 18.1 tppt? -69.85 -38.19 76.39 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 115.964 -0.562 . . . . 0.0 111.12 -179.002 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 46' ' ' GLN . . . . . 0.444 ' O ' HG13 ' A' ' 50' ' ' ILE . 23.7 tp60 -61.85 -41.09 97.41 Favored 'General case' 0 C--N 1.325 -0.5 0 CA-C-O 120.792 0.33 . . . . 0.0 110.771 -179.625 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 33.4 m -68.18 -38.01 81.58 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.313 177.755 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 48' ' ' MET . . . . . . . . . . . . . 27.7 ttt -61.08 -41.22 96.24 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 116.089 -0.505 . . . . 0.0 110.064 176.333 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 4.9 mp -56.83 -40.35 75.89 Favored 'General case' 0 N--CA 1.462 0.174 0 CA-C-N 115.944 -0.571 . . . . 0.0 111.109 175.333 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 50' ' ' ILE . . . . . 0.444 HG13 ' O ' ' A' ' 46' ' ' GLN . 68.1 mt -67.23 -38.01 80.2 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.521 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.706 179.779 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 51' ' ' ASN . . . . . . . . . . . . . 92.8 m-20 -73.96 -40.68 62.85 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-N 116.13 -0.486 . . . . 0.0 111.266 -178.92 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 49.5 mt-10 -78.9 -52.6 8.06 Favored 'General case' 0 C--N 1.327 -0.398 0 N-CA-C 111.963 0.357 . . . . 0.0 111.963 -177.743 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 48.2 mttm -96.17 -14.06 23.06 Favored 'General case' 0 C--N 1.325 -0.494 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.64 -169.552 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 34.7 mmtp 54.05 52.13 13.35 Favored 'General case' 0 C--O 1.234 0.278 0 CA-C-O 121.24 0.543 . . . . 0.0 111.1 -179.163 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 55' ' ' LEU . . . . . 0.42 ' HB2' ' HB3' ' A' ' 62' ' ' HIS . 0.3 OUTLIER -87.56 77.67 8.71 Favored 'General case' 0 C--N 1.324 -0.541 0 CA-C-O 121.467 0.651 . . . . 0.0 110.962 178.67 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 56' ' ' ASN . . . . . . . . . . . . . 18.5 m120 -65.25 135.7 55.71 Favored 'General case' 0 C--N 1.324 -0.501 0 CA-C-N 115.404 -0.816 . . . . 0.0 109.933 177.099 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 57' ' ' MET . . . . . 0.501 ' SD ' ' HA ' ' A' ' 63' ' ' ARG . 21.2 mmt -78.78 6.43 9.02 Favored 'General case' 0 C--N 1.324 -0.512 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.204 -173.495 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 58' ' ' MET . . . . . . . . . . . . . 26.0 ptt? -64.74 -21.58 66.79 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-O 121.083 0.468 . . . . 0.0 109.98 174.639 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 59' ' ' ASN . . . . . . . . . . . . . 16.0 m120 -107.17 126.82 52.89 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-N 115.787 -0.642 . . . . 0.0 109.836 176.658 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -61.64 -24.76 66.93 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-O 120.834 0.349 . . . . 0.0 111.528 -176.271 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 24.1 mt-10 -64.35 -48.14 76.69 Favored 'General case' 0 C--N 1.322 -0.614 0 CA-C-O 121.419 0.628 . . . . 0.0 110.488 176.945 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 62' ' ' HIS . . . . . 0.434 ' O ' ' HB2' ' A' ' 65' ' ' LEU . 50.8 m-70 -76.99 -26.67 54.16 Favored 'General case' 0 C--N 1.321 -0.656 0 CA-C-O 121.176 0.512 . . . . 0.0 109.645 -179.591 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 63' ' ' ARG . . . . . 0.505 ' O ' ' HD3' ' A' ' 63' ' ' ARG . 1.9 tmt_? -72.66 -37.74 67.85 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 115.86 -0.609 . . . . 0.0 110.47 179.473 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 6.1 ptpp? -69.73 -27.73 65.21 Favored 'General case' 0 C--O 1.221 -0.423 0 C-N-CA 120.292 -0.563 . . . . 0.0 110.09 177.405 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 65' ' ' LEU . . . . . 0.434 ' HB2' ' O ' ' A' ' 62' ' ' HIS . 62.7 mt -56.0 -51.87 66.21 Favored 'General case' 0 C--O 1.234 0.273 0 CA-C-O 120.803 0.335 . . . . 0.0 110.205 171.921 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 32.6 tp -49.95 -49.2 51.02 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 115.393 -0.822 . . . . 0.0 111.188 174.133 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 8.1 tp10 -64.91 -55.82 16.99 Favored 'General case' 0 C--N 1.324 -0.513 0 CA-C-N 115.817 -0.628 . . . . 0.0 111.619 -176.46 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 68' ' ' GLN . . . . . . . . . . . . . 53.2 mt-30 -62.64 -53.28 56.99 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-N 115.893 -0.594 . . . . 0.0 111.736 -174.139 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 18.3 mt-10 -67.91 -28.25 67.33 Favored 'General case' 0 C--N 1.329 -0.297 0 C-N-CA 120.837 -0.345 . . . . 0.0 111.651 -174.982 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 70' ' ' MET . . . . . . . . . . . . . 18.3 tmm? -60.27 -53.23 60.14 Favored 'General case' 0 C--O 1.234 0.243 0 N-CA-C 110.131 -0.322 . . . . 0.0 110.131 176.077 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 71' ' ' VAL . . . . . . . . . . . . . 43.7 t -63.34 -33.76 63.14 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.425 179.696 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 26.9 m -70.17 -36.86 74.98 Favored 'General case' 0 C--N 1.324 -0.532 0 CA-C-N 115.732 -0.667 . . . . 0.0 111.823 -176.18 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 73' ' ' PHE . . . . . . . . . . . . . 80.2 t80 -85.3 -40.47 16.53 Favored 'General case' 0 C--N 1.325 -0.469 0 CA-C-O 120.686 0.279 . . . . 0.0 111.341 -177.04 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 74' ' ' LEU . . . . . 0.484 ' O ' HD11 ' A' ' 34' ' ' ILE . 93.6 mt -85.89 -46.55 10.49 Favored 'General case' 0 C--N 1.324 -0.501 0 N-CA-C 112.121 0.415 . . . . 0.0 112.121 -174.206 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 75' ' ' PHE . . . . . . . . . . . . . 41.3 t80 -100.05 -25.71 14.21 Favored 'General case' 0 C--N 1.324 -0.527 0 C-N-CA 120.832 -0.347 . . . . 0.0 111.083 -173.68 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 37.3 mt-10 62.23 23.07 13.6 Favored 'General case' 0 C--O 1.236 0.35 0 CA-C-N 115.913 -0.585 . . . . 0.0 111.633 179.257 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . -146.12 80.98 0.21 Allowed Glycine 0 N--CA 1.447 -0.61 0 C-N-CA 120.426 -0.892 . . . . 0.0 112.584 -178.3 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 78' ' ' LYS . . . . . 0.408 ' O ' ' HD2' ' A' ' 78' ' ' LYS . 1.8 pptp? -124.49 152.72 43.03 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-O 120.894 0.378 . . . . 0.0 110.404 175.066 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 79' ' ' ASP . . . . . . . . . . . . . 31.8 t70 -104.43 -11.19 17.21 Favored 'General case' 0 C--N 1.323 -0.551 0 CA-C-O 121.406 0.622 . . . . 0.0 110.306 179.12 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 80' ' ' VAL . . . . . . . . . . . . . 3.7 t . . . . . 0 C--N 1.326 -0.418 0 CA-C-N 116.057 -0.519 . . . . 0.0 110.189 -179.619 . . . . . . . . 0 0 . 1 . 006 nuclear build core ' A' A ' 3' ' ' ARG . . . . . . . . . . . . . 38.3 ttm180 . . . . . 0 N--CA 1.453 -0.301 0 N-CA-C 108.035 -1.098 . . . . 0.0 108.035 . . . . . . . . . 0 0 . 1 . 006 nuclear build core ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 23.7 p -116.0 150.5 37.11 Favored 'General case' 0 N--CA 1.446 -0.669 0 CA-C-N 115.076 -0.965 . . . . 0.0 111.721 -170.653 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 5' ' ' ILE . . . . . . . . . . . . . 2.9 pp -131.15 152.38 37.37 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.818 0 CA-C-N 115.099 -0.955 . . . . 0.0 109.428 176.525 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 6' ' ' PHE . . . . . . . . . . . . . 54.5 t80 -78.67 107.93 11.71 Favored 'General case' 0 C--N 1.322 -0.612 0 N-CA-C 109.263 -0.643 . . . . 0.0 109.263 178.175 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 7' ' ' CYS . . . . . 0.468 ' HB2' ' HB2' ' A' ' 10' ' ' LEU . 44.5 m -70.79 127.51 32.88 Favored 'General case' 0 C--N 1.319 -0.739 0 CA-C-N 115.776 -0.647 . . . . 0.0 111.089 -176.374 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 10.0 p -66.9 -43.24 83.91 Favored 'General case' 0 C--N 1.322 -0.624 0 CA-C-O 121.231 0.538 . . . . 0.0 111.068 179.675 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 9' ' ' TYR . . . . . . . . . . . . . 76.3 t80 -81.85 -31.52 31.56 Favored 'General case' 0 C--N 1.324 -0.519 0 CA-C-N 115.921 -0.581 . . . . 0.0 111.895 -177.007 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 10' ' ' LEU . . . . . 0.468 ' HB2' ' HB2' ' A' ' 7' ' ' CYS . 90.3 mt -96.3 -21.7 17.66 Favored 'General case' 0 C--N 1.326 -0.425 0 C-N-CA 120.81 -0.356 . . . . 0.0 111.73 -175.413 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 32.1 mm-40 63.93 18.32 11.11 Favored 'General case' 0 N--CA 1.467 0.384 0 N-CA-C 112.23 0.456 . . . . 0.0 112.23 178.013 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 95.0 mtt180 -125.57 173.35 9.02 Favored 'General case' 0 C--N 1.325 -0.477 0 CA-C-O 120.754 0.312 . . . . 0.0 110.244 178.053 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 11.1 m-20 -91.59 110.85 22.18 Favored 'General case' 0 C--N 1.322 -0.603 0 CA-C-N 115.673 -0.694 . . . . 0.0 109.598 176.503 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 14' ' ' ALA . . . . . 0.448 ' HB3' ' SG ' ' A' ' 7' ' ' CYS . . . -130.75 163.73 26.66 Favored 'General case' 0 C--N 1.318 -0.795 0 CA-C-N 116.285 -0.416 . . . . 0.0 110.442 -179.036 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 43.7 tt0 -63.89 123.05 17.96 Favored 'General case' 0 C--N 1.322 -0.617 0 CA-C-N 116.125 -0.488 . . . . 0.0 110.617 -178.015 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . -65.1 149.38 51.71 Favored Glycine 0 N--CA 1.448 -0.558 0 CA-C-N 115.513 -0.767 . . . . 0.0 112.547 -177.282 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 17' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -72.14 97.74 2.0 Allowed 'General case' 0 C--N 1.323 -0.562 0 N-CA-C 109.327 -0.62 . . . . 0.0 109.327 179.216 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 18.4 t70 -90.03 4.16 51.04 Favored 'General case' 0 C--N 1.32 -0.698 0 CA-C-N 115.973 -0.558 . . . . 0.0 111.795 -170.007 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 98.5 m-85 -96.93 96.16 8.33 Favored 'General case' 0 C--N 1.322 -0.597 0 CA-C-N 116.231 -0.44 . . . . 0.0 111.426 -177.561 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 36.0 tt0 -96.56 114.71 26.39 Favored 'General case' 0 C--N 1.323 -0.566 0 N-CA-C 109.16 -0.681 . . . . 0.0 109.16 174.153 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 21' ' ' LEU . . . . . 0.403 HD13 ' H ' ' A' ' 21' ' ' LEU . 0.0 OUTLIER -141.88 1.13 1.46 Allowed 'General case' 0 C--N 1.324 -0.515 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.825 -174.128 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 22' ' ' TYR . . . . . 0.537 ' HB3' ' HD3' ' A' ' 23' ' ' PRO . 9.3 t80 -148.79 -56.59 0.02 OUTLIER Pre-proline 0 C--N 1.325 -0.488 0 C-N-CA 121.046 -0.262 . . . . 0.0 111.193 -176.948 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 23' ' ' PRO . . . . . 0.537 ' HD3' ' HB3' ' A' ' 22' ' ' TYR . 19.7 Cg_endo -95.65 147.3 1.36 Allowed 'Trans proline' 0 C--N 1.354 0.824 0 C-N-CA 122.544 2.163 . . . . 0.0 112.915 -177.317 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -95.28 -103.68 1.93 Allowed Glycine 0 N--CA 1.451 -0.365 0 C-N-CA 120.871 -0.681 . . . . 0.0 112.74 -176.765 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 15.5 tp10 -65.3 -40.31 93.65 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-O 121.113 0.483 . . . . 0.0 110.084 -179.071 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 56.7 tp -64.86 -34.07 77.51 Favored 'General case' 0 C--N 1.325 -0.492 0 CA-C-N 115.959 -0.564 . . . . 0.0 109.566 174.944 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 27' ' ' GLY . . . . . 0.535 ' CA ' ' HB2' ' A' ' 23' ' ' PRO . . . -62.51 -57.71 15.37 Favored Glycine 0 N--CA 1.445 -0.715 0 CA-C-N 115.371 -0.831 . . . . 0.0 112.299 178.751 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 12.9 ptmm? -61.74 -25.29 67.36 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-O 120.398 0.142 . . . . 0.0 111.195 -179.04 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 29' ' ' ARG . . . . . 0.42 ' O ' ' HG3' ' A' ' 33' ' ' GLU . 11.6 ttp180 -65.35 -54.88 22.38 Favored 'General case' 0 C--N 1.331 -0.201 0 N-CA-C 109.487 -0.56 . . . . 0.0 109.487 174.874 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 30' ' ' ILE . . . . . . . . . . . . . 69.0 mt -63.87 -37.36 79.53 Favored 'Isoleucine or valine' 0 C--O 1.219 -0.534 0 CA-C-N 115.791 -0.64 . . . . 0.0 110.799 -178.858 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 31' ' ' TYR . . . . . . . . . . . . . 20.7 m-30 -65.05 -26.42 68.24 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-O 121.073 0.463 . . . . 0.0 111.014 177.838 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 32' ' ' ASN . . . . . . . . . . . . . 1.8 t30 -83.58 -22.17 32.4 Favored 'General case' 0 C--N 1.321 -0.658 0 CA-C-N 115.476 -0.784 . . . . 0.0 110.871 179.723 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 33' ' ' GLU . . . . . 0.434 ' O ' ' HA ' ' A' ' 7' ' ' CYS . 41.3 mt-10 -101.82 -24.21 14.08 Favored 'General case' 0 C--N 1.325 -0.49 0 CA-C-O 121.158 0.504 . . . . 0.0 110.945 -178.73 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 34' ' ' ILE . . . . . 0.502 HG23 ' HB3' ' A' ' 38' ' ' ALA . 19.3 mm -124.81 129.62 73.52 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.542 0 CA-C-O 121.315 0.579 . . . . 0.0 111.19 -176.619 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 8.1 p -82.61 171.14 14.38 Favored 'General case' 0 C--N 1.32 -0.681 0 CA-C-N 115.416 -0.811 . . . . 0.0 111.242 178.844 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 95.3 mttt -59.5 -30.46 68.58 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-N 115.985 -0.552 . . . . 0.0 110.955 178.53 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 15.3 m-20 -63.59 -58.22 7.63 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.732 -179.279 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 38' ' ' ALA . . . . . 0.502 ' HB3' HG23 ' A' ' 34' ' ' ILE . . . -66.44 -33.31 75.41 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 115.815 -0.629 . . . . 0.0 110.902 -179.013 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 39' ' ' TRP . . . . . . . . . . . . . 75.0 t-105 -58.8 -53.09 62.35 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 115.904 -0.589 . . . . 0.0 110.53 178.127 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -67.08 -42.73 84.17 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 115.921 -0.581 . . . . 0.0 110.87 179.865 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 55.8 tt0 -55.71 -51.52 67.02 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 115.734 -0.666 . . . . 0.0 111.208 179.838 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 42' ' ' TRP . . . . . 0.452 ' HE1' ' HA ' ' A' ' 70' ' ' MET . 39.7 t-105 -66.52 -47.65 72.26 Favored 'General case' 0 N--CA 1.452 -0.366 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.089 -177.481 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 43' ' ' GLN . . . . . . . . . . . . . 82.6 mt-30 -61.66 -42.22 98.61 Favored 'General case' 0 C--N 1.325 -0.465 0 N-CA-C 111.795 0.294 . . . . 0.0 111.795 -176.723 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 44' ' ' HIS . . . . . . . . . . . . . 7.4 t-80 -66.26 -40.19 89.97 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-O 120.92 0.391 . . . . 0.0 110.406 -177.126 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 45' ' ' LYS . . . . . 0.533 ' HE3' HD11 ' A' ' 49' ' ' LEU . 2.1 tmmm? -73.1 -39.17 66.02 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.029 178.981 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 46' ' ' GLN . . . . . 0.587 ' O ' HG13 ' A' ' 50' ' ' ILE . 51.5 tp60 -65.16 -39.48 93.03 Favored 'General case' 0 C--N 1.324 -0.504 0 CA-C-N 116.333 -0.394 . . . . 0.0 110.527 -179.844 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 32.7 m -61.53 -38.02 85.89 Favored 'General case' 0 C--N 1.328 -0.342 0 N-CA-C 109.95 -0.389 . . . . 0.0 109.95 176.582 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 48' ' ' MET . . . . . 0.488 ' HB3' ' O ' ' A' ' 45' ' ' LYS . 37.0 ttm -57.44 -48.85 78.06 Favored 'General case' 0 C--N 1.332 -0.192 0 CA-C-N 115.93 -0.577 . . . . 0.0 109.89 173.809 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 49' ' ' LEU . . . . . 0.533 HD11 ' HE3' ' A' ' 45' ' ' LYS . 77.8 mt -62.55 -41.02 98.64 Favored 'General case' 0 C--O 1.221 -0.436 0 CA-C-N 115.715 -0.675 . . . . 0.0 111.111 179.415 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 50' ' ' ILE . . . . . 0.587 HG13 ' O ' ' A' ' 46' ' ' GLN . 88.4 mt -58.12 -37.6 62.95 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.431 0 CA-C-O 120.65 0.262 . . . . 0.0 110.694 179.533 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 51' ' ' ASN . . . . . . . . . . . . . 81.5 m-20 -66.42 -42.79 87.24 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.632 177.94 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 35.7 mt-10 -82.54 -34.82 27.72 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-N 115.957 -0.565 . . . . 0.0 111.754 -174.056 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 99.3 mttt -76.98 -19.23 57.57 Favored 'General case' 0 C--N 1.326 -0.414 0 N-CA-C 109.972 -0.381 . . . . 0.0 109.972 176.335 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 58.0 mtpt 58.81 42.44 19.9 Favored 'General case' 0 N--CA 1.465 0.29 0 CA-C-N 115.749 -0.659 . . . . 0.0 110.201 -179.813 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 55' ' ' LEU . . . . . 0.418 HD12 HG12 ' A' ' 50' ' ' ILE . 69.6 mt -61.08 125.72 24.76 Favored 'General case' 0 C--O 1.234 0.24 0 CA-C-N 115.223 -0.898 . . . . 0.0 112.006 -175.132 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 56' ' ' ASN . . . . . . . . . . . . . 31.4 t30 -95.75 113.59 25.24 Favored 'General case' 0 C--N 1.324 -0.536 0 CA-C-N 115.289 -0.868 . . . . 0.0 109.922 174.37 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 57' ' ' MET . . . . . . . . . . . . . 1.1 mpt? -79.99 -2.38 43.78 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.515 -177.792 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 58' ' ' MET . . . . . . . . . . . . . 59.8 mtm -87.0 1.26 53.42 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-O 121.318 0.58 . . . . 0.0 110.005 177.255 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 59' ' ' ASN . . . . . . . . . . . . . 13.4 t-20 -123.73 134.86 53.61 Favored 'General case' 0 C--N 1.326 -0.443 0 CA-C-N 115.517 -0.765 . . . . 0.0 110.053 178.791 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -64.64 -34.08 77.45 Favored 'General case' 0 C--N 1.328 -0.364 0 N-CA-C 112.824 0.675 . . . . 0.0 112.824 -172.943 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 30.5 mm-40 -67.32 -36.98 82.56 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-O 120.619 0.247 . . . . 0.0 111.451 -174.082 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 62' ' ' HIS . . . . . . . . . . . . . 90.5 m-70 -81.65 -24.96 35.99 Favored 'General case' 0 C--N 1.325 -0.491 0 CA-C-O 121.196 0.522 . . . . 0.0 109.874 178.509 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 63' ' ' ARG . . . . . . . . . . . . . 44.8 tpt85 -70.76 -45.08 65.43 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 115.658 -0.701 . . . . 0.0 110.514 177.52 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 17.6 ptpt -67.74 -35.34 78.55 Favored 'General case' 0 C--N 1.332 -0.194 0 CA-C-N 116.266 -0.424 . . . . 0.0 110.047 178.605 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 66.4 tp -58.37 -40.55 82.59 Favored 'General case' 0 C--O 1.233 0.207 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.172 177.887 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 36.6 tp -58.58 -49.99 75.44 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 115.643 -0.708 . . . . 0.0 110.407 177.348 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 17.2 mm-40 -59.44 -44.21 92.98 Favored 'General case' 0 C--O 1.235 0.306 0 CA-C-O 121.371 0.605 . . . . 0.0 110.667 177.722 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 68' ' ' GLN . . . . . . . . . . . . . 23.4 mt-30 -54.07 -60.3 3.51 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-N 114.927 -1.033 . . . . 0.0 112.077 -177.513 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 17.9 pt-20 -74.49 -26.44 60.01 Favored 'General case' 0 C--N 1.328 -0.33 0 C-N-CA 120.413 -0.515 . . . . 0.0 111.483 -175.626 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 70' ' ' MET . . . . . 0.452 ' HA ' ' HE1' ' A' ' 42' ' ' TRP . 37.5 ttm -60.12 -57.53 12.45 Favored 'General case' 0 C--N 1.331 -0.209 0 CA-C-O 121.199 0.523 . . . . 0.0 110.948 177.422 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 71' ' ' VAL . . . . . . . . . . . . . 60.8 t -69.84 -30.49 44.68 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 CA-C-N 115.825 -0.625 . . . . 0.0 111.156 -177.035 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 13.3 t -68.32 -25.41 65.1 Favored 'General case' 0 C--N 1.323 -0.579 0 CA-C-O 120.642 0.258 . . . . 0.0 110.55 179.914 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 73' ' ' PHE . . . . . . . . . . . . . 59.7 t80 -89.25 -47.99 7.68 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-O 120.806 0.336 . . . . 0.0 110.63 177.861 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 74' ' ' LEU . . . . . 0.416 ' HB3' HG13 ' A' ' 34' ' ' ILE . 95.7 mt -74.96 -38.49 61.69 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.083 -0.508 . . . . 0.0 112.188 -174.571 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 75' ' ' PHE . . . . . 0.429 ' O ' ' HB2' ' A' ' 76' ' ' GLU . 88.3 t80 -104.6 -39.22 6.46 Favored 'General case' 0 C--N 1.326 -0.452 0 C-N-CA 121.197 -0.201 . . . . 0.0 111.433 -175.834 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 76' ' ' GLU . . . . . 0.429 ' HB2' ' O ' ' A' ' 75' ' ' PHE . 22.7 mm-40 68.73 90.13 0.1 Allowed 'General case' 0 C--O 1.236 0.36 0 O-C-N 123.724 0.64 . . . . 0.0 110.474 -176.202 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . 135.58 65.66 0.06 OUTLIER Glycine 0 N--CA 1.447 -0.602 0 C-N-CA 120.938 -0.649 . . . . 0.0 112.183 -179.097 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 11.9 mmmt -88.85 133.22 34.34 Favored 'General case' 0 C--N 1.324 -0.518 0 CA-C-O 121.145 0.498 . . . . 0.0 111.971 -179.919 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 79' ' ' ASP . . . . . . . . . . . . . 9.1 p-10 -64.19 -48.53 75.58 Favored 'General case' 0 C--N 1.325 -0.478 0 CA-C-N 115.206 -0.906 . . . . 0.0 110.03 174.187 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 80' ' ' VAL . . . . . . . . . . . . . 65.2 t . . . . . 0 C--N 1.329 -0.323 0 CA-C-N 115.791 -0.64 . . . . 0.0 110.145 176.401 . . . . . . . . 0 0 . 1 . 007 nuclear build core ' A' A ' 3' ' ' ARG . . . . . . . . . . . . . 45.8 ttt180 . . . . . 0 N--CA 1.454 -0.26 0 N-CA-C 109.926 -0.398 . . . . 0.0 109.926 . . . . . . . . . 0 0 . 1 . 007 nuclear build core ' A' A ' 4' ' ' THR . . . . . 0.509 ' HA ' ' O ' ' A' ' 14' ' ' ALA . 4.3 p -101.99 127.0 49.04 Favored 'General case' 0 C--N 1.322 -0.625 0 CA-C-O 120.953 0.406 . . . . 0.0 111.519 -179.523 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 5' ' ' ILE . . . . . . . . . . . . . 2.7 pp -118.4 179.91 1.72 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 CA-C-N 115.741 -0.663 . . . . 0.0 110.608 179.129 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 6' ' ' PHE . . . . . . . . . . . . . 85.3 m-85 -97.4 100.68 12.12 Favored 'General case' 0 C--N 1.323 -0.558 0 N-CA-C 109.766 -0.457 . . . . 0.0 109.766 177.878 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 7' ' ' CYS . . . . . 0.405 ' HB3' ' HB2' ' A' ' 10' ' ' LEU . 51.3 t -77.16 138.99 39.8 Favored 'General case' 0 C--N 1.325 -0.495 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.703 -176.917 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 10.9 p -65.28 -46.84 78.84 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-N 115.78 -0.645 . . . . 0.0 112.222 -177.911 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 9' ' ' TYR . . . . . . . . . . . . . 42.3 t80 -78.97 -32.38 45.34 Favored 'General case' 0 C--N 1.323 -0.567 0 CA-C-N 116.255 -0.43 . . . . 0.0 111.097 -174.555 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 10' ' ' LEU . . . . . 0.405 ' HB2' ' HB3' ' A' ' 7' ' ' CYS . 10.9 mp -86.32 -33.12 20.7 Favored 'General case' 0 C--N 1.327 -0.393 0 C-N-CA 120.865 -0.334 . . . . 0.0 111.341 -178.77 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 84.9 mm-40 58.71 41.16 22.35 Favored 'General case' 0 N--CA 1.462 0.158 0 CA-C-O 121.535 0.683 . . . . 0.0 110.526 -177.553 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 11.7 mtp180 -146.4 -179.25 6.62 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-N 115.227 -0.897 . . . . 0.0 111.002 -179.828 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 11.0 p-10 -72.59 109.93 6.59 Favored 'General case' 0 C--N 1.325 -0.467 0 CA-C-N 114.967 -1.015 . . . . 0.0 108.709 168.765 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 14' ' ' ALA . . . . . 0.509 ' O ' ' HA ' ' A' ' 4' ' ' THR . . . -132.17 180.0 5.77 Favored 'General case' 0 C--N 1.318 -0.799 0 CA-C-N 115.942 -0.572 . . . . 0.0 111.77 -170.813 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 10.3 mt-10 -71.83 136.36 46.98 Favored 'General case' 0 C--N 1.323 -0.548 0 CA-C-N 115.842 -0.617 . . . . 0.0 110.464 -176.507 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . -80.83 11.67 39.84 Favored Glycine 0 N--CA 1.45 -0.393 0 C-N-CA 120.856 -0.687 . . . . 0.0 112.501 176.659 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 17' ' ' GLN . . . . . 0.618 ' NE2' ' H ' ' A' ' 18' ' ' ASP . 0.0 OUTLIER 61.4 -174.18 0.13 Allowed 'General case' 0 CA--C 1.53 0.192 0 C-N-CA 123.007 0.523 . . . . 0.0 110.903 179.472 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 18' ' ' ASP . . . . . 0.618 ' H ' ' NE2' ' A' ' 17' ' ' GLN . 5.5 p-10 -97.68 165.99 11.7 Favored 'General case' 0 C--N 1.324 -0.52 0 N-CA-C 109.219 -0.66 . . . . 0.0 109.219 174.301 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 97.8 m-85 -88.52 -164.02 1.06 Allowed 'General case' 0 C--N 1.32 -0.699 0 N-CA-C 113.13 0.789 . . . . 0.0 113.13 -165.514 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 10.8 mm100 -64.76 103.56 0.71 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 114.931 -1.031 . . . . 0.0 111.259 -173.813 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 21' ' ' LEU . . . . . 0.44 ' H ' HD12 ' A' ' 21' ' ' LEU . 0.3 OUTLIER -106.04 -18.7 13.95 Favored 'General case' 0 C--N 1.321 -0.638 0 CA-C-N 115.917 -0.583 . . . . 0.0 111.35 175.918 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 22' ' ' TYR . . . . . 0.597 ' H ' ' HD2' ' A' ' 23' ' ' PRO . 43.3 m-85 -151.52 -57.3 0.02 OUTLIER Pre-proline 0 CA--C 1.537 0.481 0 CA-C-N 115.957 -0.565 . . . . 0.0 111.794 -178.281 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 23' ' ' PRO . . . . . 0.597 ' HD2' ' H ' ' A' ' 22' ' ' TYR . 86.7 Cg_endo -78.65 174.06 12.81 Favored 'Trans proline' 0 C--N 1.359 1.124 0 C-N-CA 122.07 1.847 . . . . 0.0 113.273 -171.835 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -106.81 -128.78 6.08 Favored Glycine 0 N--CA 1.445 -0.763 0 CA-C-N 115.686 -0.688 . . . . 0.0 112.361 -179.176 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 25' ' ' GLU . . . . . 0.468 ' HA ' ' HE3' ' A' ' 28' ' ' LYS . 9.9 pt-20 -58.22 -38.44 76.82 Favored 'General case' 0 C--N 1.326 -0.439 0 N-CA-C 112.155 0.428 . . . . 0.0 112.155 -176.08 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 26' ' ' LEU . . . . . 0.529 ' O ' HG13 ' A' ' 30' ' ' ILE . 43.9 tp -67.75 -33.65 75.27 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-O 120.933 0.397 . . . . 0.0 110.147 -179.892 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . -66.31 -51.95 39.6 Favored Glycine 0 N--CA 1.448 -0.532 0 CA-C-N 115.805 -0.634 . . . . 0.0 112.623 -178.818 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 28' ' ' LYS . . . . . 0.468 ' HE3' ' HA ' ' A' ' 25' ' ' GLU . 22.6 pttp -65.67 -27.43 68.35 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-O 120.51 0.195 . . . . 0.0 110.926 -178.32 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 77.7 ttt180 -62.1 -44.81 95.85 Favored 'General case' 0 C--O 1.224 -0.243 0 N-CA-C 109.801 -0.444 . . . . 0.0 109.801 174.327 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 30' ' ' ILE . . . . . 0.529 HG13 ' O ' ' A' ' 26' ' ' LEU . 60.8 mt -64.84 -44.31 96.31 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 CA-C-N 116.279 -0.419 . . . . 0.0 110.896 179.873 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 31' ' ' TYR . . . . . . . . . . . . . 23.4 m-85 -67.58 -33.18 74.49 Favored 'General case' 0 C--N 1.324 -0.539 0 N-CA-C 112.708 0.633 . . . . 0.0 112.708 -173.236 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 32' ' ' ASN . . . . . . . . . . . . . 2.3 p-10 -90.42 0.72 57.17 Favored 'General case' 0 C--N 1.327 -0.374 0 C-N-CA 119.933 -0.707 . . . . 0.0 111.214 -178.673 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 8.8 mm-40 -109.54 -25.29 10.54 Favored 'General case' 0 C--N 1.331 -0.2 0 CA-C-O 121.245 0.545 . . . . 0.0 110.144 174.987 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 34' ' ' ILE . . . . . . . . . . . . . 26.2 mm -120.4 119.48 59.96 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.572 0 CA-C-O 121.394 0.616 . . . . 0.0 111.892 -173.686 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 35' ' ' SER . . . . . 0.478 ' CB ' ' HB1' ' A' ' 14' ' ' ALA . 5.8 t -70.76 152.85 43.35 Favored 'General case' 0 C--N 1.321 -0.647 0 CA-C-N 115.004 -0.998 . . . . 0.0 109.756 175.443 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 36' ' ' LYS . . . . . 0.527 ' HG2' ' OE1' ' A' ' 17' ' ' GLN . 53.7 mttm -55.05 -26.98 41.23 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-O 120.641 0.258 . . . . 0.0 110.817 174.568 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 37' ' ' ASP . . . . . 0.47 ' O ' ' HG3' ' A' ' 41' ' ' GLN . 29.0 t70 -53.06 -57.66 9.66 Favored 'General case' 0 C--N 1.325 -0.472 0 CA-C-N 115.993 -0.549 . . . . 0.0 110.747 173.891 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -76.35 -34.33 58.95 Favored 'General case' 0 C--N 1.326 -0.445 0 CA-C-N 115.918 -0.583 . . . . 0.0 110.941 -179.24 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 39' ' ' TRP . . . . . 0.469 ' HB3' ' HA ' ' A' ' 36' ' ' LYS . 77.0 t-105 -61.43 -47.61 84.94 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 120.807 0.336 . . . . 0.0 110.526 -179.966 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -63.13 -46.86 85.27 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 116.088 -0.505 . . . . 0.0 110.698 179.465 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 41' ' ' GLN . . . . . 0.47 ' HG3' ' O ' ' A' ' 37' ' ' ASP . 98.4 mt-30 -58.71 -49.27 78.21 Favored 'General case' 0 CA--C 1.519 -0.236 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.841 179.126 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 42' ' ' TRP . . . . . 0.454 ' HE1' ' HA ' ' A' ' 70' ' ' MET . 33.6 t-105 -65.26 -46.38 80.76 Favored 'General case' 0 C--O 1.221 -0.396 0 CA-C-N 116.478 -0.328 . . . . 0.0 111.259 -177.363 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 43' ' ' GLN . . . . . . . . . . . . . 74.4 mm-40 -62.88 -40.06 96.36 Favored 'General case' 0 C--N 1.323 -0.576 0 C-N-CA 120.973 -0.291 . . . . 0.0 111.125 179.528 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 44' ' ' HIS . . . . . . . . . . . . . 9.7 t60 -66.32 -43.26 86.68 Favored 'General case' 0 C--N 1.324 -0.506 0 CA-C-O 121.286 0.565 . . . . 0.0 110.123 179.103 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 25.5 tptp -67.3 -52.32 41.99 Favored 'General case' 0 C--N 1.323 -0.563 0 CA-C-N 115.217 -0.901 . . . . 0.0 110.55 -178.435 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 46' ' ' GLN . . . . . 0.487 ' O ' HG13 ' A' ' 50' ' ' ILE . 52.0 tp60 -61.13 -41.18 96.25 Favored 'General case' 0 C--N 1.323 -0.552 0 CA-C-N 115.652 -0.704 . . . . 0.0 111.098 -177.129 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 90.7 m -63.79 -34.12 77.2 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-O 120.872 0.367 . . . . 0.0 110.465 178.173 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 48' ' ' MET . . . . . . . . . . . . . 14.8 tpt -68.79 -41.43 78.76 Favored 'General case' 0 C--N 1.329 -0.313 0 N-CA-C 109.75 -0.463 . . . . 0.0 109.75 176.233 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 9.5 mp -60.93 -37.25 81.69 Favored 'General case' 0 C--N 1.332 -0.179 0 CA-C-N 115.867 -0.606 . . . . 0.0 110.355 174.926 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 50' ' ' ILE . . . . . 0.487 HG13 ' O ' ' A' ' 46' ' ' GLN . 81.3 mt -62.97 -30.89 50.71 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.389 0 CA-C-N 116.022 -0.535 . . . . 0.0 110.767 176.632 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 51' ' ' ASN . . . . . . . . . . . . . 94.4 m-20 -76.96 -36.76 56.28 Favored 'General case' 0 C--N 1.324 -0.527 0 CA-C-N 116.5 -0.318 . . . . 0.0 110.86 177.587 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 46.0 mt-10 -71.76 -50.81 26.65 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 121.06 0.457 . . . . 0.0 110.836 179.416 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 94.2 mttt -73.68 -21.51 60.23 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-N 115.857 -0.61 . . . . 0.0 110.405 179.434 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 42.8 mtmt 54.49 70.06 0.66 Allowed 'General case' 0 C--O 1.234 0.279 0 CA-C-N 115.415 -0.811 . . . . 0.0 110.099 -170.231 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 55' ' ' LEU . . . . . 0.45 ' HB2' HG23 ' A' ' 50' ' ' ILE . 76.8 mt -88.77 101.59 14.17 Favored 'General case' 0 C--N 1.326 -0.452 0 CA-C-N 115.366 -0.833 . . . . 0.0 110.347 -178.416 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 56' ' ' ASN . . . . . . . . . . . . . 46.6 t-20 -87.62 122.38 31.24 Favored 'General case' 0 C--N 1.318 -0.768 0 N-CA-C 108.956 -0.757 . . . . 0.0 108.956 175.987 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 57' ' ' MET . . . . . . . . . . . . . 25.7 mmt -79.16 19.94 0.53 Allowed 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.605 -175.739 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 58' ' ' MET . . . . . . . . . . . . . 27.2 ptt? -73.28 -24.38 60.43 Favored 'General case' 0 C--N 1.326 -0.448 0 CA-C-O 121.199 0.523 . . . . 0.0 109.615 173.722 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 59' ' ' ASN . . . . . . . . . . . . . 4.5 m-20 -116.2 138.04 51.62 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 115.603 -0.726 . . . . 0.0 110.247 178.062 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -65.35 -24.08 67.16 Favored 'General case' 0 C--N 1.326 -0.442 0 CA-C-N 115.927 -0.579 . . . . 0.0 111.249 -177.832 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 33.1 mt-10 -45.59 -53.39 9.18 Favored 'General case' 0 N--CA 1.465 0.316 0 O-C-N 123.664 0.603 . . . . 0.0 111.318 177.911 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 62' ' ' HIS . . . . . . . . . . . . . 78.2 m-70 -82.57 -19.98 37.46 Favored 'General case' 0 C--N 1.325 -0.478 0 CA-C-N 115.376 -0.829 . . . . 0.0 110.626 -172.623 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 63' ' ' ARG . . . . . . . . . . . . . 4.5 tmm_? -76.8 -32.01 57.35 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 116.057 -0.52 . . . . 0.0 109.758 178.661 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 7.7 mtpm? -77.31 -27.01 52.79 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.445 -0.343 . . . . 0.0 110.303 175.756 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 65' ' ' LEU . . . . . 0.495 ' O ' ' HG3' ' A' ' 69' ' ' GLU . 18.9 mt -58.87 -46.25 88.23 Favored 'General case' 0 C--N 1.329 -0.286 0 N-CA-C 109.591 -0.522 . . . . 0.0 109.591 170.373 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 52.0 tp -56.98 -43.61 81.84 Favored 'General case' 0 C--O 1.224 -0.282 0 CA-C-N 115.533 -0.758 . . . . 0.0 110.207 176.652 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 34.0 tt0 -56.07 -54.15 48.44 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 115.962 -0.563 . . . . 0.0 111.106 177.185 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 68' ' ' GLN . . . . . . . . . . . . . 77.3 mt-30 -59.09 -48.18 82.54 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 115.997 -0.547 . . . . 0.0 111.233 -177.878 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 69' ' ' GLU . . . . . 0.495 ' HG3' ' O ' ' A' ' 65' ' ' LEU . 29.8 mt-10 -66.53 -39.16 88.45 Favored 'General case' 0 C--O 1.235 0.341 0 CA-C-O 120.774 0.321 . . . . 0.0 110.479 -178.795 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 70' ' ' MET . . . . . 0.454 ' HA ' ' HE1' ' A' ' 42' ' ' TRP . 50.1 tpp -58.31 -57.21 13.89 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 115.996 -0.547 . . . . 0.0 111.023 178.797 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 71' ' ' VAL . . . . . . . . . . . . . 60.0 t -62.49 -31.99 53.75 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 115.959 -0.564 . . . . 0.0 110.382 -178.586 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 72' ' ' SER . . . . . 0.426 ' O ' ' HG2' ' A' ' 76' ' ' GLU . 32.5 t -65.1 -65.9 0.61 Allowed 'General case' 0 C--N 1.322 -0.604 0 CA-C-N 116.129 -0.487 . . . . 0.0 111.05 -179.347 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 73' ' ' PHE . . . . . . . . . . . . . 51.7 t80 -64.89 -36.76 85.39 Favored 'General case' 0 C--N 1.323 -0.55 0 N-CA-C 111.985 0.365 . . . . 0.0 111.985 -171.996 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 74' ' ' LEU . . . . . . . . . . . . . 78.0 mt -85.66 -35.18 21.07 Favored 'General case' 0 C--N 1.325 -0.462 0 N-CA-C 112.592 0.59 . . . . 0.0 112.592 -173.833 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 75' ' ' PHE . . . . . . . . . . . . . 96.3 m-85 -118.18 -43.89 2.72 Favored 'General case' 0 C--N 1.328 -0.329 0 N-CA-C 112.351 0.501 . . . . 0.0 112.351 -175.198 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 76' ' ' GLU . . . . . 0.426 ' HG2' ' O ' ' A' ' 72' ' ' SER . 19.3 mm-40 62.6 18.83 10.84 Favored 'General case' 0 N--CA 1.463 0.183 0 CA-C-O 121.21 0.528 . . . . 0.0 111.029 -171.476 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . -92.39 37.01 3.48 Favored Glycine 0 N--CA 1.445 -0.727 0 C-N-CA 120.839 -0.696 . . . . 0.0 112.128 -179.433 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 78' ' ' LYS . . . . . 0.401 ' O ' ' HD2' ' A' ' 78' ' ' LYS . 0.0 OUTLIER -124.74 161.67 25.9 Favored 'General case' 0 C--N 1.322 -0.605 0 N-CA-C 110.295 -0.261 . . . . 0.0 110.295 178.281 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 79' ' ' ASP . . . . . . . . . . . . . 2.0 p-10 -111.6 3.57 18.03 Favored 'General case' 0 C--N 1.322 -0.615 0 N-CA-C 109.645 -0.502 . . . . 0.0 109.645 174.651 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 80' ' ' VAL . . . . . . . . . . . . . 45.7 t . . . . . 0 N--CA 1.45 -0.453 0 CA-C-N 115.42 -0.809 . . . . 0.0 110.351 -179.592 . . . . . . . . 0 0 . 1 . 008 nuclear build core ' A' A ' 3' ' ' ARG . . . . . . . . . . . . . 41.7 ttm180 . . . . . 0 C--O 1.234 0.288 0 N-CA-C 109.598 -0.519 . . . . 0.0 109.598 . . . . . . . . . 0 0 . 1 . 008 nuclear build core ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -87.83 105.63 17.54 Favored 'General case' 0 C--N 1.321 -0.664 0 CA-C-O 121.505 0.669 . . . . 0.0 111.32 -177.826 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 5' ' ' ILE . . . . . 0.451 ' H ' HG13 ' A' ' 5' ' ' ILE . 2.7 pp -106.34 151.59 8.28 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.699 0 CA-C-N 115.298 -0.865 . . . . 0.0 109.56 177.757 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 6' ' ' PHE . . . . . . . . . . . . . 70.7 m-85 -87.64 108.41 19.07 Favored 'General case' 0 C--N 1.316 -0.88 0 CA-C-O 121.147 0.498 . . . . 0.0 110.279 178.043 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 7' ' ' CYS . . . . . 0.418 ' HA ' ' O ' ' A' ' 33' ' ' GLU . 54.0 t -69.23 141.91 54.34 Favored 'General case' 0 C--N 1.324 -0.531 0 CA-C-N 115.255 -0.884 . . . . 0.0 111.092 -175.964 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 2.6 p -66.89 -47.06 72.99 Favored 'General case' 0 C--N 1.321 -0.635 0 CA-C-N 115.91 -0.586 . . . . 0.0 111.606 -179.364 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 9' ' ' TYR . . . . . . . . . . . . . 64.8 t80 -69.26 -44.1 72.6 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.43 -178.801 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 10' ' ' LEU . . . . . 0.41 ' O ' ' HB2' ' A' ' 11' ' ' GLN . 89.5 mt -80.19 -34.48 37.42 Favored 'General case' 0 C--N 1.325 -0.469 0 CA-C-N 116.494 -0.321 . . . . 0.0 111.527 -175.675 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 11' ' ' GLN . . . . . 0.41 ' HB2' ' O ' ' A' ' 10' ' ' LEU . 32.0 mm-40 67.16 13.69 9.51 Favored 'General case' 0 N--CA 1.47 0.543 0 CA-C-O 121.74 0.781 . . . . 0.0 109.568 -171.586 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 11.8 tpp180 -119.73 157.9 27.61 Favored 'General case' 0 C--N 1.322 -0.593 0 CA-C-N 114.763 -1.108 . . . . 0.0 109.215 -176.509 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 6.8 p-10 -65.9 132.48 48.75 Favored 'General case' 0 C--N 1.323 -0.549 0 CA-C-O 121.036 0.445 . . . . 0.0 109.905 174.507 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -141.88 175.58 9.6 Favored 'General case' 0 C--N 1.317 -0.832 0 CA-C-N 115.668 -0.696 . . . . 0.0 109.516 179.766 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 10.8 pt-20 -94.01 145.34 24.73 Favored 'General case' 0 C--N 1.317 -0.815 0 C-N-CA 120.667 -0.413 . . . . 0.0 110.32 -179.405 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . -59.44 131.39 51.26 Favored Glycine 0 N--CA 1.448 -0.501 0 N-CA-C 110.502 -1.039 . . . . 0.0 110.502 170.753 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 17' ' ' GLN . . . . . 0.404 HE21 ' HB3' ' A' ' 17' ' ' GLN . 22.4 mt-30 -60.84 -93.11 0.0 OUTLIER 'General case' 0 C--N 1.327 -0.385 0 N-CA-C 113.035 0.754 . . . . 0.0 113.035 -172.378 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 4.5 m-20 -143.33 -173.03 3.82 Favored 'General case' 0 C--N 1.323 -0.561 0 CA-C-N 115.943 -0.571 . . . . 0.0 111.048 -170.692 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 80.1 m-85 -101.45 179.74 4.27 Favored 'General case' 0 C--N 1.322 -0.606 0 CA-C-N 115.324 -0.853 . . . . 0.0 110.018 -179.291 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 0.9 OUTLIER -67.89 99.27 0.82 Allowed 'General case' 0 C--N 1.323 -0.566 0 CA-C-N 116.42 -0.355 . . . . 0.0 110.809 -179.839 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 21' ' ' LEU . . . . . 0.673 ' H ' HD13 ' A' ' 21' ' ' LEU . 0.0 OUTLIER -102.05 -14.7 17.02 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 116.006 -0.543 . . . . 0.0 110.505 175.592 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 22' ' ' TYR . . . . . 0.544 ' HB3' ' HD3' ' A' ' 23' ' ' PRO . 66.8 t80 -169.28 -51.65 0.0 OUTLIER Pre-proline 0 CA--C 1.534 0.356 0 CA-C-N 115.746 -0.661 . . . . 0.0 111.031 177.503 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 23' ' ' PRO . . . . . 0.544 ' HD3' ' HB3' ' A' ' 22' ' ' TYR . 13.9 Cg_exo -71.27 142.1 40.69 Favored 'Trans proline' 0 C--N 1.357 1.0 0 C-N-CA 121.82 1.68 . . . . 0.0 111.666 179.622 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -86.09 -138.79 5.04 Favored Glycine 0 N--CA 1.447 -0.595 0 C-N-CA 120.793 -0.718 . . . . 0.0 112.791 -175.248 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 10.9 pt-20 -62.84 -30.89 71.85 Favored 'General case' 0 C--N 1.327 -0.382 0 N-CA-C 111.706 0.262 . . . . 0.0 111.706 -176.132 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 53.3 tp -63.05 -49.13 75.76 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-O 120.919 0.39 . . . . 0.0 110.258 178.799 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . -67.06 -38.48 92.55 Favored Glycine 0 N--CA 1.448 -0.556 0 C-N-CA 120.797 -0.716 . . . . 0.0 111.752 178.695 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 57.4 tttp -57.59 -46.6 83.82 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-O 121.062 0.458 . . . . 0.0 110.524 178.065 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 16.0 ttp180 -56.42 -45.9 80.5 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 115.744 -0.662 . . . . 0.0 109.664 178.187 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 30' ' ' ILE . . . . . . . . . . . . . 75.7 mt -63.52 -33.36 61.01 Favored 'Isoleucine or valine' 0 C--O 1.224 -0.288 0 CA-C-N 115.584 -0.734 . . . . 0.0 111.332 179.945 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 31' ' ' TYR . . . . . . . . . . . . . 23.0 m-30 -68.27 -17.78 64.37 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-O 120.747 0.308 . . . . 0.0 110.974 178.552 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 32' ' ' ASN . . . . . . . . . . . . . 45.8 m-80 -90.51 -0.65 57.75 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-N 116.363 -0.381 . . . . 0.0 111.333 174.023 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 33' ' ' GLU . . . . . 0.418 ' O ' ' HA ' ' A' ' 7' ' ' CYS . 27.2 mt-10 -122.07 -35.0 3.23 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-O 121.204 0.526 . . . . 0.0 111.314 -177.089 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 34' ' ' ILE . . . . . . . . . . . . . 30.1 mm -115.07 148.39 17.83 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.835 0 CA-C-N 115.961 -0.563 . . . . 0.0 110.038 -177.934 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 8.6 t -108.12 173.35 6.36 Favored 'General case' 0 N--CA 1.445 -0.686 0 CA-C-O 120.906 0.384 . . . . 0.0 110.107 175.647 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 84.0 mttt -55.84 -35.47 66.45 Favored 'General case' 0 C--N 1.323 -0.546 0 CA-C-N 115.252 -0.886 . . . . 0.0 112.856 -172.141 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 37' ' ' ASP . . . . . 0.522 ' O ' ' HG2' ' A' ' 41' ' ' GLN . 14.9 t70 -66.21 -59.93 3.28 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-O 120.674 0.273 . . . . 0.0 110.638 -177.809 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -60.58 -37.12 80.31 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.021 -0.536 . . . . 0.0 110.937 -179.366 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 39' ' ' TRP . . . . . 0.569 ' O ' ' HG3' ' A' ' 43' ' ' GLN . 72.8 t-105 -60.0 -53.26 59.89 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-N 115.793 -0.639 . . . . 0.0 110.47 178.068 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -64.57 -39.31 93.51 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-N 116.079 -0.51 . . . . 0.0 111.382 -178.923 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 41' ' ' GLN . . . . . 0.522 ' HG2' ' O ' ' A' ' 37' ' ' ASP . 25.9 mm-40 -67.13 -41.58 85.9 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.369 -0.378 . . . . 0.0 111.168 -177.842 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 42' ' ' TRP . . . . . 0.481 ' HE1' ' HA ' ' A' ' 70' ' ' MET . 35.0 t-105 -68.07 -40.86 82.62 Favored 'General case' 0 C--N 1.327 -0.395 0 C-N-CA 120.736 -0.385 . . . . 0.0 110.926 -178.84 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 43' ' ' GLN . . . . . 0.569 ' HG3' ' O ' ' A' ' 39' ' ' TRP . 38.7 mt-30 -63.49 -42.03 98.54 Favored 'General case' 0 C--N 1.328 -0.358 0 C-N-CA 120.723 -0.391 . . . . 0.0 109.996 178.354 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 44' ' ' HIS . . . . . . . . . . . . . 28.7 t-80 -56.5 -50.47 71.71 Favored 'General case' 0 C--N 1.326 -0.456 0 CA-C-N 115.733 -0.667 . . . . 0.0 110.277 177.975 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 45' ' ' LYS . . . . . 0.517 ' O ' ' HG ' ' A' ' 49' ' ' LEU . 57.8 tptt -63.66 -52.79 59.17 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-N 115.484 -0.78 . . . . 0.0 111.142 179.646 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 46' ' ' GLN . . . . . 0.584 ' O ' HG13 ' A' ' 50' ' ' ILE . 57.5 tp60 -59.96 -41.8 92.69 Favored 'General case' 0 C--N 1.325 -0.465 0 CA-C-N 115.983 -0.553 . . . . 0.0 111.498 -176.186 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 44.5 m -63.42 -38.56 91.61 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 120.746 0.308 . . . . 0.0 111.065 179.867 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 48' ' ' MET . . . . . . . . . . . . . 53.2 tpp -64.95 -37.73 88.62 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 121.229 0.538 . . . . 0.0 109.724 176.41 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 49' ' ' LEU . . . . . 0.517 ' HG ' ' O ' ' A' ' 45' ' ' LYS . 88.0 mt -68.6 -33.37 73.93 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 115.732 -0.667 . . . . 0.0 110.605 178.3 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 50' ' ' ILE . . . . . 0.584 HG13 ' O ' ' A' ' 46' ' ' GLN . 88.0 mt -62.79 -34.73 67.4 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 CA-C-O 120.93 0.395 . . . . 0.0 110.58 177.06 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 51' ' ' ASN . . . . . . . . . . . . . 90.7 m-20 -64.5 -39.43 93.77 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 115.979 -0.555 . . . . 0.0 110.49 177.867 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 5.9 mm-40 -82.9 -38.61 22.65 Favored 'General case' 0 C--N 1.325 -0.461 0 CA-C-N 115.54 -0.755 . . . . 0.0 111.686 -176.892 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 94.2 mttt -74.86 -25.69 59.15 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-N 116.623 -0.262 . . . . 0.0 110.664 179.051 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 38.1 mtmt 58.16 38.65 26.39 Favored 'General case' 0 C--O 1.234 0.249 0 CA-C-O 121.609 0.719 . . . . 0.0 110.334 -179.078 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 55' ' ' LEU . . . . . 0.401 ' HB2' ' HB3' ' A' ' 62' ' ' HIS . 4.6 pp -85.01 141.28 30.42 Favored 'General case' 0 N--CA 1.448 -0.528 0 CA-C-N 115.072 -0.967 . . . . 0.0 110.082 -179.783 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 56' ' ' ASN . . . . . . . . . . . . . 51.0 m-80 -117.48 146.33 43.58 Favored 'General case' 0 C--N 1.32 -0.687 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.183 178.052 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 57' ' ' MET . . . . . . . . . . . . . 1.7 mpt? -77.5 -8.32 57.61 Favored 'General case' 0 C--N 1.325 -0.477 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.447 -179.026 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 58' ' ' MET . . . . . . . . . . . . . 65.9 mtm -66.49 -28.74 68.81 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-N 115.78 -0.645 . . . . 0.0 109.766 173.388 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 59' ' ' ASN . . . . . . . . . . . . . 16.6 m120 -86.18 118.57 25.72 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-N 115.547 -0.752 . . . . 0.0 110.128 178.971 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 60' ' ' ALA . . . . . 0.427 ' O ' ' HG2' ' A' ' 64' ' ' LYS . . . -54.17 -37.15 64.13 Favored 'General case' 0 C--N 1.329 -0.308 0 O-C-N 123.386 0.429 . . . . 0.0 110.759 178.771 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 61' ' ' GLU . . . . . 0.494 ' O ' ' HB2' ' A' ' 65' ' ' LEU . 34.0 tt0 -56.37 -48.18 77.36 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 115.382 -0.826 . . . . 0.0 111.808 178.072 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 62' ' ' HIS . . . . . 0.401 ' HB3' ' HB2' ' A' ' 55' ' ' LEU . 92.7 m-70 -82.45 -33.05 28.67 Favored 'General case' 0 C--N 1.325 -0.464 0 N-CA-C 112.41 0.522 . . . . 0.0 112.41 -169.332 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 63' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -64.3 -45.14 89.26 Favored 'General case' 0 C--N 1.328 -0.349 0 C-N-CA 120.457 -0.497 . . . . 0.0 111.063 179.687 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 64' ' ' LYS . . . . . 0.506 ' O ' ' HG3' ' A' ' 68' ' ' GLN . 64.4 pttt -74.41 -28.14 60.94 Favored 'General case' 0 C--N 1.329 -0.294 0 C-N-CA 120.7 -0.4 . . . . 0.0 110.206 178.97 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 65' ' ' LEU . . . . . 0.494 ' HB2' ' O ' ' A' ' 61' ' ' GLU . 0.9 OUTLIER -63.29 -45.49 91.16 Favored 'General case' 0 C--N 1.331 -0.232 0 N-CA-C 108.954 -0.758 . . . . 0.0 108.954 176.786 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 8.1 tt -62.43 -40.01 95.17 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 115.677 -0.692 . . . . 0.0 109.858 177.581 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 30.8 tt0 -57.67 -47.94 80.89 Favored 'General case' 0 C--O 1.233 0.234 0 CA-C-N 115.862 -0.608 . . . . 0.0 109.916 175.487 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 68' ' ' GLN . . . . . 0.506 ' HG3' ' O ' ' A' ' 64' ' ' LYS . 78.2 mt-30 -58.73 -45.03 90.53 Favored 'General case' 0 N--CA 1.453 -0.323 0 CA-C-N 115.696 -0.684 . . . . 0.0 110.774 177.789 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 16.8 mt-10 -58.6 -46.88 86.07 Favored 'General case' 0 N--CA 1.463 0.191 0 CA-C-O 120.716 0.293 . . . . 0.0 110.855 179.109 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 70' ' ' MET . . . . . 0.481 ' HA ' ' HE1' ' A' ' 42' ' ' TRP . 38.2 mtt -59.28 -52.69 64.57 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.429 -0.35 . . . . 0.0 111.166 178.877 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 71' ' ' VAL . . . . . 0.446 ' O ' ' HB3' ' A' ' 75' ' ' PHE . 61.6 t -68.93 -21.12 25.36 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.509 0 CA-C-N 116.524 -0.307 . . . . 0.0 111.602 -175.964 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 72' ' ' SER . . . . . 0.433 ' O ' ' HA ' ' A' ' 76' ' ' GLU . 42.4 m -86.34 -19.29 30.01 Favored 'General case' 0 C--N 1.324 -0.527 0 O-C-N 121.875 -0.516 . . . . 0.0 111.422 179.288 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 73' ' ' PHE . . . . . . . . . . . . . 54.7 t80 -100.26 -51.6 3.61 Favored 'General case' 0 C--N 1.325 -0.494 0 CA-C-O 121.029 0.442 . . . . 0.0 110.58 178.521 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 74' ' ' LEU . . . . . . . . . . . . . 94.9 mt -73.94 -31.7 63.17 Favored 'General case' 0 C--N 1.327 -0.413 0 CA-C-N 115.896 -0.593 . . . . 0.0 111.414 -175.917 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 75' ' ' PHE . . . . . 0.535 ' O ' ' HG2' ' A' ' 76' ' ' GLU . 68.0 t80 -112.52 -43.35 3.5 Favored 'General case' 0 C--N 1.326 -0.414 0 N-CA-C 110.268 -0.271 . . . . 0.0 110.268 -178.599 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 76' ' ' GLU . . . . . 0.535 ' HG2' ' O ' ' A' ' 75' ' ' PHE . 2.6 pt-20 73.11 -28.48 0.19 Allowed 'General case' 0 N--CA 1.477 0.908 0 C-N-CA 124.945 1.298 . . . . 0.0 112.815 173.262 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . -90.14 49.74 3.3 Favored Glycine 0 N--CA 1.447 -0.619 0 C-N-CA 120.711 -0.756 . . . . 0.0 113.319 -176.79 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 78' ' ' LYS . . . . . 0.438 ' HE2' ' HB ' ' A' ' 71' ' ' VAL . 0.0 OUTLIER -118.32 145.58 44.99 Favored 'General case' 0 C--N 1.327 -0.393 0 N-CA-C 109.565 -0.532 . . . . 0.0 109.565 176.263 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 79' ' ' ASP . . . . . . . . . . . . . 16.9 p-10 -96.04 -10.35 28.68 Favored 'General case' 0 C--N 1.324 -0.516 0 N-CA-C 112.111 0.412 . . . . 0.0 112.111 -172.279 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 80' ' ' VAL . . . . . . . . . . . . . 60.7 t . . . . . 0 C--N 1.326 -0.433 0 N-CA-C 109.729 -0.471 . . . . 0.0 109.729 176.332 . . . . . . . . 0 0 . 1 . 009 nuclear build core ' A' A ' 3' ' ' ARG . . . . . 0.415 HH11 ' HD2' ' A' ' 3' ' ' ARG . 0.0 OUTLIER . . . . . 0 N--CA 1.453 -0.279 0 N-CA-C 109.907 -0.405 . . . . 0.0 109.907 . . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 16.9 p -99.78 139.26 35.7 Favored 'General case' 0 C--N 1.321 -0.654 0 CA-C-O 121.071 0.462 . . . . 0.0 111.361 179.922 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 5' ' ' ILE . . . . . . . . . . . . . 43.6 pt -129.31 157.27 42.11 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.576 0 CA-C-N 115.914 -0.585 . . . . 0.0 110.245 -179.474 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 6' ' ' PHE . . . . . . . . . . . . . 88.7 m-85 -85.23 94.56 8.93 Favored 'General case' 0 C--N 1.321 -0.658 0 N-CA-C 109.522 -0.547 . . . . 0.0 109.522 173.293 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 7' ' ' CYS . . . . . 0.569 ' HA ' ' O ' ' A' ' 33' ' ' GLU . 42.1 t -68.59 123.93 22.22 Favored 'General case' 0 C--N 1.322 -0.59 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.215 -178.04 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 5.4 p -55.53 -44.28 76.55 Favored 'General case' 0 C--N 1.325 -0.499 0 CA-C-N 116.029 -0.532 . . . . 0.0 111.948 -178.022 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 9' ' ' TYR . . . . . . . . . . . . . 74.3 t80 -71.81 -31.79 66.93 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-N 115.942 -0.572 . . . . 0.0 111.577 -175.877 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 91.5 mt -94.34 -26.87 16.38 Favored 'General case' 0 C--N 1.328 -0.363 0 C-N-CA 121.002 -0.279 . . . . 0.0 111.533 -175.982 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 28.7 mm-40 66.77 16.99 10.51 Favored 'General case' 0 N--CA 1.466 0.373 0 C-N-CA 123.115 0.566 . . . . 0.0 111.659 179.79 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 59.4 mtp180 -139.5 -179.24 5.79 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.724 -0.216 . . . . 0.0 110.6 -179.8 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 7.9 m-20 -68.11 116.52 8.82 Favored 'General case' 0 C--O 1.233 0.197 0 CA-C-N 115.934 -0.575 . . . . 0.0 110.753 178.176 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -123.72 179.55 4.75 Favored 'General case' 0 C--N 1.317 -0.828 0 N-CA-C 109.127 -0.694 . . . . 0.0 109.127 175.709 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 13.1 pt-20 -96.27 140.51 30.85 Favored 'General case' 0 C--N 1.32 -0.713 0 C-N-CA 120.198 -0.601 . . . . 0.0 110.209 179.366 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . -63.8 142.13 46.19 Favored Glycine 0 N--CA 1.446 -0.695 0 C-N-CA 120.877 -0.678 . . . . 0.0 111.751 179.296 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 17' ' ' GLN . . . . . . . . . . . . . 0.6 OUTLIER -70.24 -167.89 0.19 Allowed 'General case' 0 C--N 1.325 -0.475 0 CA-C-O 121.22 0.534 . . . . 0.0 111.657 -179.114 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 1.1 t70 -76.57 -168.78 1.06 Allowed 'General case' 0 C--N 1.321 -0.645 0 CA-C-N 115.556 -0.747 . . . . 0.0 111.391 -174.35 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 99.0 m-85 -95.96 -177.05 3.89 Favored 'General case' 0 C--N 1.32 -0.676 0 CA-C-N 115.792 -0.64 . . . . 0.0 110.288 -179.254 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 8.8 mm100 -79.05 88.12 4.81 Favored 'General case' 0 C--N 1.324 -0.5 0 CA-C-O 121.223 0.535 . . . . 0.0 110.653 -177.556 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -85.27 -18.94 32.43 Favored 'General case' 0 C--N 1.323 -0.581 0 CA-C-N 115.424 -0.807 . . . . 0.0 111.235 178.338 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 22' ' ' TYR . . . . . 0.496 ' HB3' ' HD3' ' A' ' 23' ' ' PRO . 87.3 t80 -154.51 -53.08 0.02 OUTLIER Pre-proline 0 CA--C 1.537 0.48 0 N-CA-C 112.267 0.469 . . . . 0.0 112.267 -179.695 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 23' ' ' PRO . . . . . 0.497 ' HB2' ' HA3' ' A' ' 27' ' ' GLY . 12.2 Cg_exo -72.21 162.59 41.22 Favored 'Trans proline' 0 C--N 1.354 0.843 0 C-N-CA 122.02 1.813 . . . . 0.0 112.477 -176.54 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -101.52 -133.24 8.03 Favored Glycine 0 N--CA 1.446 -0.678 0 C-N-CA 120.696 -0.764 . . . . 0.0 112.277 -179.469 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 8.0 mp0 -59.48 -45.79 90.63 Favored 'General case' 0 C--N 1.327 -0.397 0 C-N-CA 122.698 0.399 . . . . 0.0 111.544 -175.79 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 60.2 tp -63.18 -46.42 87.19 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-N 115.982 -0.554 . . . . 0.0 110.951 -177.479 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 27' ' ' GLY . . . . . 0.497 ' HA3' ' HB2' ' A' ' 23' ' ' PRO . . . -67.12 -34.13 85.39 Favored Glycine 0 N--CA 1.45 -0.41 0 C-N-CA 120.616 -0.802 . . . . 0.0 111.792 -179.864 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 38.7 ttpt -62.14 -43.1 99.57 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-O 120.881 0.372 . . . . 0.0 110.022 177.198 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 19.5 ttp180 -55.09 -45.51 75.44 Favored 'General case' 0 C--N 1.333 -0.143 0 CA-C-N 115.866 -0.606 . . . . 0.0 109.866 178.328 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 30' ' ' ILE . . . . . . . . . . . . . 45.4 mt -61.15 -39.57 82.86 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.249 0 CA-C-N 115.842 -0.617 . . . . 0.0 110.751 179.013 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 31' ' ' TYR . . . . . . . . . . . . . 21.7 m-85 -74.8 -8.82 57.6 Favored 'General case' 0 C--N 1.325 -0.459 0 CA-C-O 120.76 0.314 . . . . 0.0 111.323 -179.95 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 32' ' ' ASN . . . . . . . . . . . . . 3.7 m-20 -94.48 -24.31 17.35 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.366 -0.379 . . . . 0.0 110.831 176.074 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 33' ' ' GLU . . . . . 0.569 ' O ' ' HA ' ' A' ' 7' ' ' CYS . 41.1 mt-10 -106.22 -24.89 12.19 Favored 'General case' 0 C--N 1.325 -0.491 0 CA-C-O 121.074 0.464 . . . . 0.0 111.477 -176.252 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 34' ' ' ILE . . . . . . . . . . . . . 22.6 mm -114.39 128.97 71.19 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.618 0 CA-C-O 121.256 0.55 . . . . 0.0 111.823 -176.117 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 35.5 t -78.77 167.09 21.7 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-N 115.304 -0.862 . . . . 0.0 110.273 176.979 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 83.1 mttt -60.22 -32.05 70.76 Favored 'General case' 0 C--N 1.322 -0.598 0 CA-C-N 115.654 -0.703 . . . . 0.0 109.972 178.136 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 6.5 m-20 -58.92 -61.74 2.41 Favored 'General case' 0 N--CA 1.463 0.183 0 CA-C-N 115.534 -0.757 . . . . 0.0 110.837 179.197 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -64.22 -37.25 86.81 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 115.661 -0.699 . . . . 0.0 110.951 -177.967 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 39' ' ' TRP . . . . . . . . . . . . . 67.4 t-105 -63.48 -45.9 88.62 Favored 'General case' 0 C--N 1.326 -0.439 0 CA-C-N 116.053 -0.522 . . . . 0.0 110.563 -179.29 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -71.11 -39.86 71.8 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-N 116.402 -0.363 . . . . 0.0 110.756 -179.928 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 1.0 OUTLIER -63.07 -44.77 94.87 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-N 115.967 -0.561 . . . . 0.0 110.768 -178.213 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 42' ' ' TRP . . . . . . . . . . . . . 18.9 t-105 -64.9 -43.31 93.26 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.615 -0.266 . . . . 0.0 110.899 -179.132 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 43' ' ' GLN . . . . . . . . . . . . . 48.1 mt-30 -63.44 -41.81 98.66 Favored 'General case' 0 C--N 1.329 -0.3 0 C-N-CA 121.134 -0.227 . . . . 0.0 110.583 178.977 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 44' ' ' HIS . . . . . . . . . . . . . 20.2 t60 -60.58 -46.25 90.94 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.101 178.226 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -64.86 -48.05 75.71 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-N 115.987 -0.551 . . . . 0.0 110.763 179.621 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 46' ' ' GLN . . . . . 0.575 ' O ' HG13 ' A' ' 50' ' ' ILE . 53.1 tp60 -62.8 -41.43 99.27 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 116.074 -0.512 . . . . 0.0 111.211 -177.679 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 75.0 m -59.45 -40.74 87.83 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 120.677 0.275 . . . . 0.0 110.587 178.203 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 48' ' ' MET . . . . . . . . . . . . . 15.8 tpt -58.94 -46.53 87.76 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.088 175.718 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 10.6 mp -63.95 -36.99 85.78 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 115.839 -0.619 . . . . 0.0 111.067 179.352 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 50' ' ' ILE . . . . . 0.575 HG13 ' O ' ' A' ' 46' ' ' GLN . 79.0 mt -60.93 -36.12 69.72 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.241 0 CA-C-O 120.73 0.3 . . . . 0.0 110.21 177.52 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 51' ' ' ASN . . . . . . . . . . . . . 87.3 m-20 -69.89 -50.93 37.53 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.003 -0.544 . . . . 0.0 110.567 177.747 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 42.5 mt-10 -61.25 -45.58 93.94 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 115.646 -0.706 . . . . 0.0 111.359 -177.419 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 94.0 mttt -82.48 -17.6 44.62 Favored 'General case' 0 C--N 1.325 -0.47 0 CA-C-N 116.081 -0.509 . . . . 0.0 110.836 -177.333 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 26.4 tptp 54.9 59.38 4.1 Favored 'General case' 0 CA--C 1.531 0.244 0 CA-C-O 121.615 0.721 . . . . 0.0 110.219 -178.019 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 84.1 mt -75.71 141.0 42.76 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-N 115.409 -0.814 . . . . 0.0 111.779 -174.051 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 56' ' ' ASN . . . . . . . . . . . . . 23.7 t-20 -99.94 114.4 27.63 Favored 'General case' 0 C--N 1.325 -0.493 0 CA-C-N 115.69 -0.686 . . . . 0.0 110.041 176.549 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 57' ' ' MET . . . . . . . . . . . . . 22.8 mmt -92.63 41.49 1.08 Allowed 'General case' 0 C--N 1.321 -0.659 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.777 -173.577 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 58' ' ' MET . . . . . . . . . . . . . 79.7 mtp -97.96 -39.47 8.95 Favored 'General case' 0 C--N 1.326 -0.455 0 CA-C-O 120.903 0.382 . . . . 0.0 110.245 172.738 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 59' ' ' ASN . . . . . . . . . . . . . 75.9 m-20 -88.16 154.84 20.13 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.779 -177.121 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -75.75 -7.88 55.47 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.278 -0.419 . . . . 0.0 111.127 179.548 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 37.9 mt-10 -54.11 -53.58 51.27 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 115.717 -0.674 . . . . 0.0 110.838 178.837 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 62' ' ' HIS . . . . . . . . . . . . . 95.7 m-70 -79.33 -19.09 51.2 Favored 'General case' 0 C--N 1.326 -0.456 0 CA-C-N 115.747 -0.66 . . . . 0.0 110.455 -177.91 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 63' ' ' ARG . . . . . . . . . . . . . 23.9 tpp180 -66.62 -51.91 51.06 Favored 'General case' 0 C--O 1.235 0.314 0 CA-C-N 116.069 -0.514 . . . . 0.0 110.179 179.104 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 52.3 pttt -69.23 -31.04 69.35 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.055 178.535 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 57.9 tp -57.45 -56.23 24.49 Favored 'General case' 0 N--CA 1.457 -0.119 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.732 178.425 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 10.2 mp -59.98 -33.21 71.65 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 115.988 -0.551 . . . . 0.0 110.986 179.526 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 32.7 tt0 -63.67 -52.33 61.18 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-O 121.026 0.441 . . . . 0.0 110.342 176.908 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 68' ' ' GLN . . . . . . . . . . . . . 48.5 mt-30 -61.87 -45.8 92.19 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-N 116.055 -0.52 . . . . 0.0 111.367 -179.975 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 20.7 mt-10 -68.23 -29.33 68.13 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.6 0.238 . . . . 0.0 110.97 -179.287 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 70' ' ' MET . . . . . . . . . . . . . 47.3 ttm -64.52 -51.76 61.25 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 116.483 -0.326 . . . . 0.0 110.243 176.679 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 71' ' ' VAL . . . . . 0.444 HG12 ' HB3' ' A' ' 78' ' ' LYS . 58.5 t -63.2 -36.52 76.31 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.375 0 CA-C-N 116.13 -0.487 . . . . 0.0 110.48 -179.943 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 34.8 m -66.42 -53.13 39.17 Favored 'General case' 0 C--N 1.325 -0.474 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.953 178.834 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 73' ' ' PHE . . . . . . . . . . . . . 59.0 t80 -70.51 -47.53 59.99 Favored 'General case' 0 C--N 1.325 -0.478 0 CA-C-N 116.486 -0.324 . . . . 0.0 111.616 -174.303 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 74' ' ' LEU . . . . . . . . . . . . . 70.3 mt -81.93 -33.4 30.39 Favored 'General case' 0 C--N 1.324 -0.54 0 N-CA-C 112.804 0.668 . . . . 0.0 112.804 -172.036 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 75' ' ' PHE . . . . . . . . . . . . . 29.3 m-85 -108.85 -30.12 8.3 Favored 'General case' 0 C--N 1.327 -0.38 0 N-CA-C 112.619 0.6 . . . . 0.0 112.619 -174.443 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 6.6 mm-40 64.06 13.07 7.46 Favored 'General case' 0 N--CA 1.469 0.519 0 CA-C-O 120.883 0.373 . . . . 0.0 111.236 -178.513 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . -132.29 71.43 0.5 Allowed Glycine 0 N--CA 1.449 -0.498 0 C-N-CA 120.797 -0.716 . . . . 0.0 112.319 -176.618 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 78' ' ' LYS . . . . . 0.533 ' O ' ' HD2' ' A' ' 78' ' ' LYS . 0.1 OUTLIER -124.52 152.71 43.1 Favored 'General case' 0 C--N 1.324 -0.503 0 CA-C-O 120.832 0.349 . . . . 0.0 110.962 -179.584 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 79' ' ' ASP . . . . . . . . . . . . . 10.6 m-20 -115.35 -11.69 11.86 Favored 'General case' 0 C--N 1.324 -0.537 0 CA-C-N 116.043 -0.526 . . . . 0.0 110.789 178.587 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 80' ' ' VAL . . . . . . . . . . . . . 13.4 t . . . . . 0 C--N 1.327 -0.409 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.132 -179.558 . . . . . . . . 0 0 . 1 . 010 nuclear build core ' A' A ' 3' ' ' ARG . . . . . . . . . . . . . 43.2 ttm180 . . . . . 0 C--O 1.233 0.189 0 N-CA-C 109.27 -0.641 . . . . 0.0 109.27 . . . . . . . . . 0 0 . 1 . 010 nuclear build core ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 5.3 m -80.37 104.69 11.09 Favored 'General case' 0 C--N 1.323 -0.549 0 CA-C-N 115.993 -0.549 . . . . 0.0 111.668 -174.019 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 5' ' ' ILE . . . . . . . . . . . . . 2.8 pp -120.63 159.08 22.56 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.642 0 CA-C-N 116.109 -0.496 . . . . 0.0 109.853 175.472 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 6' ' ' PHE . . . . . . . . . . . . . 96.5 m-85 -98.53 100.93 12.22 Favored 'General case' 0 C--N 1.318 -0.772 0 N-CA-C 109.701 -0.481 . . . . 0.0 109.701 177.302 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 7' ' ' CYS . . . . . 0.711 ' SG ' ' HB2' ' A' ' 10' ' ' LEU . 4.3 p -73.19 136.34 44.7 Favored 'General case' 0 C--N 1.324 -0.54 0 CA-C-N 115.592 -0.731 . . . . 0.0 111.116 -176.206 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 9.5 p -61.52 -35.82 78.81 Favored 'General case' 0 C--N 1.323 -0.549 0 CA-C-N 115.763 -0.653 . . . . 0.0 112.191 -176.368 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 9' ' ' TYR . . . . . . . . . . . . . 71.8 t80 -71.8 -44.36 64.07 Favored 'General case' 0 C--N 1.328 -0.359 0 N-CA-C 111.826 0.306 . . . . 0.0 111.826 -176.145 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 10' ' ' LEU . . . . . 0.711 ' HB2' ' SG ' ' A' ' 7' ' ' CYS . 7.0 mp -88.71 -26.27 21.89 Favored 'General case' 0 N--CA 1.465 0.28 0 C-N-CA 121.059 -0.256 . . . . 0.0 111.313 -176.525 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 29.0 mm-40 68.07 16.77 9.5 Favored 'General case' 0 N--CA 1.465 0.324 0 CA-C-O 121.212 0.529 . . . . 0.0 110.961 -179.268 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 97.5 mtt180 -125.58 172.91 9.33 Favored 'General case' 0 C--N 1.323 -0.549 0 CA-C-N 115.91 -0.586 . . . . 0.0 109.487 179.82 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 4.1 p-10 -78.22 128.92 34.45 Favored 'General case' 0 C--N 1.319 -0.755 0 CA-C-O 121.201 0.524 . . . . 0.0 109.761 175.406 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -148.74 -179.83 7.28 Favored 'General case' 0 C--N 1.315 -0.923 0 CA-C-N 115.582 -0.735 . . . . 0.0 109.81 -178.344 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 17.3 pt-20 -85.75 145.51 27.22 Favored 'General case' 0 C--N 1.316 -0.85 0 CA-C-N 116.525 -0.307 . . . . 0.0 110.5 -177.05 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . -66.6 167.59 37.02 Favored Glycine 0 N--CA 1.448 -0.516 0 C-N-CA 120.777 -0.725 . . . . 0.0 111.609 174.089 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 17' ' ' GLN . . . . . 0.52 ' HA ' ' HG3' ' A' ' 36' ' ' LYS . 30.9 mt-30 -75.49 -111.16 0.01 OUTLIER 'General case' 0 C--N 1.323 -0.582 0 N-CA-C 112.42 0.526 . . . . 0.0 112.42 -177.78 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 3.9 m-20 -136.69 -164.78 1.63 Allowed 'General case' 0 C--N 1.322 -0.609 0 CA-C-O 121.015 0.436 . . . . 0.0 110.766 -170.325 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 19' ' ' PHE . . . . . 0.454 ' O ' ' HG ' ' A' ' 21' ' ' LEU . 38.1 p90 -92.0 175.72 6.77 Favored 'General case' 0 C--N 1.322 -0.614 0 CA-C-N 115.753 -0.658 . . . . 0.0 110.042 176.501 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 14.4 mm100 -72.16 96.01 1.73 Allowed 'General case' 0 C--N 1.325 -0.494 0 CA-C-O 120.963 0.411 . . . . 0.0 110.148 178.448 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 21' ' ' LEU . . . . . 0.454 ' HG ' ' O ' ' A' ' 19' ' ' PHE . 0.7 OUTLIER -116.93 -11.23 10.84 Favored 'General case' 0 C--N 1.325 -0.459 0 CA-C-N 116.013 -0.54 . . . . 0.0 112.346 -176.256 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 22' ' ' TYR . . . . . 0.52 ' HB3' ' HD3' ' A' ' 23' ' ' PRO . 43.2 t80 -153.42 -53.63 0.02 OUTLIER Pre-proline 0 C--N 1.327 -0.402 0 N-CA-C 111.814 0.301 . . . . 0.0 111.814 -177.579 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 23' ' ' PRO . . . . . 0.562 ' HB2' ' HA3' ' A' ' 27' ' ' GLY . 10.2 Cg_endo -89.2 173.65 3.89 Favored 'Trans proline' 0 N--CA 1.453 -0.875 0 C-N-CA 121.922 1.748 . . . . 0.0 112.1 -179.142 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -111.86 -120.76 3.93 Favored Glycine 0 N--CA 1.447 -0.57 0 C-N-CA 120.698 -0.763 . . . . 0.0 112.629 -177.447 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 25' ' ' GLU . . . . . 0.434 ' O ' ' HG2' ' A' ' 28' ' ' LYS . 42.6 mt-10 -63.81 -45.33 90.09 Favored 'General case' 0 C--O 1.236 0.359 0 CA-C-O 120.719 0.295 . . . . 0.0 111.405 -175.279 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 54.5 tp -63.21 -32.18 73.52 Favored 'General case' 0 C--N 1.328 -0.365 0 N-CA-C 109.614 -0.513 . . . . 0.0 109.614 176.673 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 27' ' ' GLY . . . . . 0.562 ' HA3' ' HB2' ' A' ' 23' ' ' PRO . . . -63.25 -56.4 20.39 Favored Glycine 0 N--CA 1.447 -0.575 0 CA-C-N 115.592 -0.731 . . . . 0.0 112.741 179.38 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 28' ' ' LYS . . . . . 0.434 ' HG2' ' O ' ' A' ' 25' ' ' GLU . 21.7 ptmt -58.04 -34.04 69.65 Favored 'General case' 0 C--O 1.238 0.49 0 CA-C-O 120.822 0.344 . . . . 0.0 110.837 -176.661 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 29' ' ' ARG . . . . . 0.562 ' O ' ' HG2' ' A' ' 33' ' ' GLU . 32.8 ttt180 -59.22 -57.94 10.81 Favored 'General case' 0 N--CA 1.452 -0.357 0 CA-C-N 116.349 -0.387 . . . . 0.0 110.014 175.276 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 30' ' ' ILE . . . . . 0.465 ' O ' ' HB ' ' A' ' 34' ' ' ILE . 70.9 mt -59.25 -37.1 67.01 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.407 0 CA-C-O 121.109 0.481 . . . . 0.0 110.661 -179.29 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 31' ' ' TYR . . . . . . . . . . . . . 3.1 m-85 -66.71 -20.81 66.05 Favored 'General case' 0 C--N 1.323 -0.583 0 N-CA-C 112.609 0.596 . . . . 0.0 112.609 -177.092 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 32' ' ' ASN . . . . . . . . . . . . . 6.0 p30 -103.58 -12.46 17.06 Favored 'General case' 0 CA--C 1.534 0.342 0 C-N-CA 119.803 -0.759 . . . . 0.0 112.52 179.546 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 33' ' ' GLU . . . . . 0.562 ' HG2' ' O ' ' A' ' 29' ' ' ARG . 6.8 pt-20 -116.27 -3.72 11.95 Favored 'General case' 0 N--CA 1.468 0.444 0 CA-C-O 121.053 0.454 . . . . 0.0 111.57 178.182 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 34' ' ' ILE . . . . . 0.465 ' HB ' ' O ' ' A' ' 30' ' ' ILE . 12.7 mm -127.83 134.6 65.01 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.578 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.29 175.71 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 16.2 m -85.6 160.23 19.67 Favored 'General case' 0 C--N 1.322 -0.606 0 CA-C-N 116.041 -0.527 . . . . 0.0 110.945 178.938 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 36' ' ' LYS . . . . . 0.52 ' HG3' ' HA ' ' A' ' 17' ' ' GLN . 45.3 mttm -49.71 -43.64 47.71 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-N 115.586 -0.734 . . . . 0.0 111.12 178.52 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 2.4 m-20 -58.49 -53.67 55.68 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 115.465 -0.789 . . . . 0.0 111.385 -178.866 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -62.7 -38.93 92.37 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.034 -0.53 . . . . 0.0 110.973 -177.948 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 39' ' ' TRP . . . . . 0.424 ' O ' ' HG3' ' A' ' 43' ' ' GLN . 76.4 t-105 -64.62 -44.75 89.55 Favored 'General case' 0 C--N 1.326 -0.453 0 CA-C-N 115.854 -0.612 . . . . 0.0 110.293 177.982 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -62.24 -39.68 93.66 Favored 'General case' 0 C--O 1.235 0.325 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.818 178.993 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 23.0 mm-40 -60.4 -45.64 92.83 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 115.939 -0.573 . . . . 0.0 110.568 177.268 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 42' ' ' TRP . . . . . . . . . . . . . 22.5 t-105 -63.71 -43.92 95.15 Favored 'General case' 0 N--CA 1.453 -0.301 0 CA-C-N 116.545 -0.298 . . . . 0.0 110.961 178.971 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 43' ' ' GLN . . . . . 0.424 ' HG3' ' O ' ' A' ' 39' ' ' TRP . 45.9 mt-30 -55.2 -45.64 75.87 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-O 120.793 0.33 . . . . 0.0 111.311 -178.878 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 44' ' ' HIS . . . . . . . . . . . . . 59.9 m80 -72.29 -34.7 68.34 Favored 'General case' 0 C--N 1.324 -0.5 0 CA-C-N 116.486 -0.324 . . . . 0.0 110.964 -178.703 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 58.7 tptt -62.63 -45.46 92.76 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.832 0.349 . . . . 0.0 110.144 175.88 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 46' ' ' GLN . . . . . . . . . . . . . 23.5 tp60 -64.06 -42.94 96.84 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 116.061 -0.518 . . . . 0.0 110.402 178.407 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 35.4 m -60.1 -46.61 89.03 Favored 'General case' 0 C--O 1.235 0.298 0 CA-C-O 120.981 0.42 . . . . 0.0 110.117 177.812 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 48' ' ' MET . . . . . . . . . . . . . 53.6 tpp -59.64 -42.7 93.35 Favored 'General case' 0 C--N 1.332 -0.183 0 CA-C-N 115.741 -0.663 . . . . 0.0 110.39 177.102 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 49' ' ' LEU . . . . . 0.416 ' HG ' ' HE2' ' A' ' 53' ' ' LYS . 7.7 tp -64.42 -41.6 96.52 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 115.736 -0.666 . . . . 0.0 110.829 -178.192 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 50' ' ' ILE . . . . . . . . . . . . . 78.6 mt -61.58 -46.58 96.27 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.442 176.921 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 51' ' ' ASN . . . . . . . . . . . . . 57.0 t30 -71.01 -23.97 62.28 Favored 'General case' 0 C--N 1.326 -0.454 0 CA-C-N 115.637 -0.711 . . . . 0.0 110.314 -179.023 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 25.5 tt0 -75.56 -65.26 0.92 Allowed 'General case' 0 C--N 1.324 -0.528 0 CA-C-N 115.454 -0.794 . . . . 0.0 110.954 -179.384 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 53' ' ' LYS . . . . . 0.416 ' HE2' ' HG ' ' A' ' 49' ' ' LEU . 52.4 mttm -82.4 -16.45 49.02 Favored 'General case' 0 C--N 1.326 -0.455 0 CA-C-N 115.652 -0.704 . . . . 0.0 111.123 -172.253 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 75.6 mmtt 61.14 80.89 0.2 Allowed 'General case' 0 C--O 1.233 0.192 0 O-C-N 123.857 0.723 . . . . 0.0 111.411 -179.802 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 4.0 pp -107.1 151.24 25.64 Favored 'General case' 0 C--N 1.323 -0.579 0 CA-C-N 115.749 -0.659 . . . . 0.0 109.83 176.613 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 56' ' ' ASN . . . . . . . . . . . . . 27.6 p-10 -101.2 147.25 26.48 Favored 'General case' 0 C--N 1.323 -0.549 0 N-CA-C 109.288 -0.634 . . . . 0.0 109.288 177.762 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 57' ' ' MET . . . . . . . . . . . . . 18.6 mtp -106.57 5.36 29.02 Favored 'General case' 0 C--N 1.32 -0.717 0 C-N-CA 120.628 -0.429 . . . . 0.0 111.882 -169.774 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 58' ' ' MET . . . . . . . . . . . . . 15.6 ptp -85.41 -17.11 37.6 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-O 120.82 0.343 . . . . 0.0 110.199 174.229 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 59' ' ' ASN . . . . . 0.461 ' HB3' ' OE1' ' A' ' 61' ' ' GLU . 6.4 m-20 -85.89 -177.61 6.38 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 115.996 -0.547 . . . . 0.0 110.45 178.719 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -92.15 -31.99 15.28 Favored 'General case' 0 C--N 1.323 -0.561 0 CA-C-O 120.767 0.318 . . . . 0.0 110.965 -179.088 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 61' ' ' GLU . . . . . 0.461 ' OE1' ' HB3' ' A' ' 59' ' ' ASN . 1.9 mp0 -47.52 -41.59 21.44 Favored 'General case' 0 N--CA 1.466 0.341 0 C-N-CA 123.756 0.822 . . . . 0.0 113.115 -172.763 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 62' ' ' HIS . . . . . . . . . . . . . 37.1 p-80 -63.08 -24.92 68.13 Favored 'General case' 0 C--N 1.331 -0.228 0 N-CA-C 111.719 0.266 . . . . 0.0 111.719 -175.79 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 63' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -69.94 -56.95 5.69 Favored 'General case' 0 CA--C 1.519 -0.22 0 C-N-CA 121.048 -0.261 . . . . 0.0 110.771 -175.366 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 64' ' ' LYS . . . . . 0.417 ' O ' ' HG3' ' A' ' 68' ' ' GLN . 65.9 pttt -66.7 -36.96 83.75 Favored 'General case' 0 C--N 1.327 -0.394 0 C-N-CA 120.638 -0.425 . . . . 0.0 110.365 -179.275 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 53.7 tp -59.16 -49.65 77.04 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.534 -0.303 . . . . 0.0 110.519 179.208 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 10.4 tt -64.16 -43.74 94.25 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.137 179.657 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 34.8 tt0 -62.21 -41.79 98.7 Favored 'General case' 0 C--O 1.235 0.341 0 CA-C-O 120.886 0.375 . . . . 0.0 110.951 -178.465 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 68' ' ' GLN . . . . . 0.508 ' HA ' ' HE2' ' A' ' 78' ' ' LYS . 55.9 mt-30 -61.79 -57.16 12.96 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 115.99 -0.55 . . . . 0.0 110.756 178.801 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 8.2 mm-40 -63.15 -39.72 95.48 Favored 'General case' 0 C--N 1.325 -0.484 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.708 -177.42 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 70' ' ' MET . . . . . . . . . . . . . 58.8 ttp -59.18 -58.16 9.84 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-O 120.874 0.369 . . . . 0.0 111.443 -178.659 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 71' ' ' VAL . . . . . . . . . . . . . 46.8 t -66.73 -29.53 46.72 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 CA-C-O 120.919 0.39 . . . . 0.0 110.899 -175.431 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 10.2 t -76.26 -40.82 50.89 Favored 'General case' 0 C--N 1.325 -0.481 0 CA-C-O 120.791 0.329 . . . . 0.0 110.729 -179.693 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 73' ' ' PHE . . . . . . . . . . . . . 69.2 t80 -70.64 -39.9 73.4 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-O 120.905 0.383 . . . . 0.0 110.95 -178.682 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 74' ' ' LEU . . . . . . . . . . . . . 96.3 mt -86.67 -46.34 10.16 Favored 'General case' 0 C--N 1.325 -0.484 0 CA-C-N 116.026 -0.534 . . . . 0.0 112.276 -174.676 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 75' ' ' PHE . . . . . . . . . . . . . 49.6 t80 -98.19 -30.18 12.79 Favored 'General case' 0 C--N 1.328 -0.356 0 C-N-CA 120.903 -0.319 . . . . 0.0 111.79 -173.705 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 6.2 mm-40 60.18 32.23 20.8 Favored 'General case' 0 N--CA 1.469 0.501 0 CA-C-O 121.154 0.502 . . . . 0.0 111.196 -177.485 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . -153.79 84.1 0.15 Allowed Glycine 0 N--CA 1.448 -0.521 0 C-N-CA 120.882 -0.675 . . . . 0.0 112.07 179.376 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 78' ' ' LYS . . . . . 0.508 ' HE2' ' HA ' ' A' ' 68' ' ' GLN . 26.5 mtpp -112.26 174.26 5.97 Favored 'General case' 0 C--N 1.321 -0.633 0 CA-C-O 121.431 0.634 . . . . 0.0 112.029 179.641 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 79' ' ' ASP . . . . . . . . . . . . . 2.4 m-20 -106.37 -40.75 5.5 Favored 'General case' 0 C--N 1.322 -0.598 0 CA-C-N 114.987 -1.006 . . . . 0.0 108.289 172.371 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 80' ' ' VAL . . . . . . . . . . . . . 36.4 t . . . . . 0 C--N 1.327 -0.383 0 CA-C-N 114.852 -1.067 . . . . 0.0 110.653 179.478 . . . . . . . . 0 0 . 1 . 011 nuclear build core ' A' A ' 3' ' ' ARG . . . . . 0.433 ' HD2' ' HA3' ' A' ' 16' ' ' GLY . 38.0 ttm180 . . . . . 0 N--CA 1.454 -0.269 0 N-CA-C 109.979 -0.378 . . . . 0.0 109.979 . . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 20.2 p -109.22 129.87 55.49 Favored 'General case' 0 C--N 1.321 -0.657 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.243 -179.379 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 5' ' ' ILE . . . . . . . . . . . . . 2.8 pp -128.13 173.98 12.37 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.45 0 CA-C-N 115.898 -0.592 . . . . 0.0 109.919 175.867 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 6' ' ' PHE . . . . . . . . . . . . . 56.8 m-85 -97.84 102.61 14.41 Favored 'General case' 0 C--N 1.322 -0.598 0 CA-C-O 120.899 0.38 . . . . 0.0 110.189 176.057 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 7' ' ' CYS . . . . . 0.569 ' HA ' ' O ' ' A' ' 33' ' ' GLU . 47.5 t -75.69 129.6 37.37 Favored 'General case' 0 C--N 1.322 -0.615 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.304 -178.482 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 3.5 p -60.49 -46.45 90.05 Favored 'General case' 0 C--N 1.324 -0.535 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.852 -177.476 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 9' ' ' TYR . . . . . . . . . . . . . 75.8 t80 -70.45 -20.08 62.92 Favored 'General case' 0 C--N 1.325 -0.465 0 CA-C-N 115.952 -0.567 . . . . 0.0 111.394 -175.983 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 83.0 mt -105.66 -29.36 10.15 Favored 'General case' 0 C--N 1.326 -0.453 0 C-N-CA 121.091 -0.244 . . . . 0.0 111.553 -176.254 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 31.9 mm-40 65.6 22.45 11.71 Favored 'General case' 0 N--CA 1.469 0.507 0 CA-C-O 121.146 0.498 . . . . 0.0 110.67 -178.76 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 30.9 mtp180 -141.25 -179.74 6.29 Favored 'General case' 0 C--N 1.326 -0.439 0 CA-C-N 115.989 -0.551 . . . . 0.0 110.771 -176.219 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 5.3 m-20 -70.33 125.48 26.9 Favored 'General case' 0 C--O 1.235 0.329 0 CA-C-N 115.931 -0.577 . . . . 0.0 110.345 176.68 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -137.78 175.67 9.39 Favored 'General case' 0 C--N 1.322 -0.591 0 CA-C-N 116.11 -0.496 . . . . 0.0 110.635 179.511 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 31.5 tt0 -75.51 143.52 42.47 Favored 'General case' 0 C--N 1.326 -0.43 0 N-CA-C 110.036 -0.357 . . . . 0.0 110.036 -178.266 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 16' ' ' GLY . . . . . 0.433 ' HA3' ' HD2' ' A' ' 3' ' ' ARG . . . -83.32 37.7 2.74 Favored Glycine 0 CA--C 1.518 0.253 0 CA-C-N 116.115 -0.493 . . . . 0.0 113.837 -175.995 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 17' ' ' GLN . . . . . . . . . . . . . 2.3 mm-40 58.33 -166.12 0.16 Allowed 'General case' 0 C--N 1.329 -0.303 0 N-CA-C 114.767 1.395 . . . . 0.0 114.767 169.348 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 1.2 t70 -91.27 -153.62 0.33 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 114.447 -1.252 . . . . 0.0 110.949 -172.949 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 77.3 m-85 -119.78 179.07 4.35 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.026 -178.987 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 19.0 mm-40 -78.86 89.32 4.68 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-O 121.12 0.486 . . . . 0.0 110.228 177.782 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -109.99 -17.22 13.65 Favored 'General case' 0 C--N 1.324 -0.539 0 CA-C-N 115.689 -0.687 . . . . 0.0 111.922 -178.64 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 22' ' ' TYR . . . . . 0.532 ' HB3' ' HD3' ' A' ' 23' ' ' PRO . 67.2 t80 -156.99 -50.83 0.01 OUTLIER Pre-proline 0 C--N 1.325 -0.461 0 N-CA-C 111.767 0.284 . . . . 0.0 111.767 -176.724 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 23' ' ' PRO . . . . . 0.532 ' HD3' ' HB3' ' A' ' 22' ' ' TYR . 5.3 Cg_exo -79.2 154.61 25.19 Favored 'Trans proline' 0 C--N 1.354 0.862 0 C-N-CA 121.883 1.722 . . . . 0.0 111.593 178.199 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -97.94 -133.58 7.99 Favored Glycine 0 N--CA 1.451 -0.339 0 C-N-CA 120.525 -0.845 . . . . 0.0 112.307 179.391 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 39.7 mm-40 -63.52 -26.98 68.96 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.602 0.239 . . . . 0.0 111.25 -177.487 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 26' ' ' LEU . . . . . 0.519 ' O ' HG12 ' A' ' 30' ' ' ILE . 58.9 tp -63.71 -50.98 67.01 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-O 120.947 0.404 . . . . 0.0 110.182 178.033 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 27' ' ' GLY . . . . . 0.426 ' HA3' ' HB2' ' A' ' 23' ' ' PRO . . . -64.99 -37.47 94.31 Favored Glycine 0 N--CA 1.449 -0.463 0 C-N-CA 120.839 -0.696 . . . . 0.0 111.466 177.875 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 72.0 tttt -58.76 -45.76 89.01 Favored 'General case' 0 C--N 1.322 -0.612 0 C-N-CA 122.719 0.408 . . . . 0.0 110.774 176.365 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 73.6 ttt180 -56.7 -40.81 76.27 Favored 'General case' 0 N--CA 1.463 0.189 0 CA-C-N 116.025 -0.534 . . . . 0.0 110.359 176.804 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 30' ' ' ILE . . . . . 0.519 HG12 ' O ' ' A' ' 26' ' ' LEU . 44.9 mm -69.02 -47.97 72.43 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.358 0 CA-C-N 115.767 -0.651 . . . . 0.0 111.19 179.597 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 31' ' ' TYR . . . . . . . . . . . . . 21.5 m-30 -61.67 -25.48 67.42 Favored 'General case' 0 N--CA 1.466 0.359 0 N-CA-C 112.617 0.599 . . . . 0.0 112.617 -172.879 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 32' ' ' ASN . . . . . . . . . . . . . 25.7 m-80 -72.43 -28.53 63.01 Favored 'General case' 0 C--N 1.323 -0.564 0 C-N-CA 120.893 -0.323 . . . . 0.0 111.439 177.671 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 33' ' ' GLU . . . . . 0.569 ' O ' ' HA ' ' A' ' 7' ' ' CYS . 15.2 mm-40 -109.11 -22.2 12.24 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-O 120.826 0.346 . . . . 0.0 111.76 -173.864 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 34' ' ' ILE . . . . . 0.499 HD11 ' O ' ' A' ' 74' ' ' LEU . 26.0 mm -118.28 132.95 66.63 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.67 0 CA-C-O 120.751 0.31 . . . . 0.0 111.342 -176.434 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 4.4 t -90.42 -178.53 5.37 Favored 'General case' 0 N--CA 1.449 -0.479 0 CA-C-N 116.007 -0.542 . . . . 0.0 110.061 179.585 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 61.6 mttm -69.86 -42.36 73.64 Favored 'General case' 0 C--N 1.327 -0.405 0 N-CA-C 112.235 0.457 . . . . 0.0 112.235 -174.564 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 31.6 t70 -62.87 -45.61 91.76 Favored 'General case' 0 C--N 1.329 -0.302 0 C-N-CA 120.646 -0.422 . . . . 0.0 110.826 -178.439 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -65.86 -39.85 91.13 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-N 116.268 -0.424 . . . . 0.0 110.657 178.465 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 39' ' ' TRP . . . . . 0.511 ' CZ3' HG21 ' A' ' 30' ' ' ILE . 63.8 t-105 -62.64 -50.87 69.51 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-N 115.897 -0.592 . . . . 0.0 110.379 178.576 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -66.14 -31.77 72.83 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 115.809 -0.632 . . . . 0.0 110.601 -179.867 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 32.2 tt0 -63.03 -43.95 97.26 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 115.973 -0.558 . . . . 0.0 110.17 178.199 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 42' ' ' TRP . . . . . . . . . . . . . 42.8 t-105 -67.24 -41.81 85.02 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.071 -0.513 . . . . 0.0 110.634 177.438 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 43' ' ' GLN . . . . . 0.486 ' HG3' ' O ' ' A' ' 39' ' ' TRP . 47.8 mt-30 -60.12 -43.82 95.34 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 121.032 0.444 . . . . 0.0 110.315 178.004 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 44' ' ' HIS . . . . . . . . . . . . . 32.3 t60 -61.52 -43.69 98.41 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-N 115.755 -0.657 . . . . 0.0 110.227 177.786 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 45' ' ' LYS . . . . . 0.621 ' O ' ' HG ' ' A' ' 49' ' ' LEU . 5.7 tmtt? -63.48 -44.97 92.86 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 115.689 -0.687 . . . . 0.0 110.117 179.718 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 46' ' ' GLN . . . . . 0.453 ' O ' HG13 ' A' ' 50' ' ' ILE . 58.6 tp60 -65.81 -35.43 80.66 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.013 -0.539 . . . . 0.0 111.148 -179.694 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 49.1 m -57.32 -44.54 84.28 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 121.137 0.494 . . . . 0.0 109.689 176.645 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 48' ' ' MET . . . . . . . . . . . . . 26.2 ttt -62.65 -45.72 91.54 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 115.382 -0.826 . . . . 0.0 110.326 175.973 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 49' ' ' LEU . . . . . 0.621 ' HG ' ' O ' ' A' ' 45' ' ' LYS . 85.7 mt -59.39 -44.28 92.82 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 115.998 -0.547 . . . . 0.0 111.799 -178.499 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 50' ' ' ILE . . . . . 0.453 HG13 ' O ' ' A' ' 46' ' ' GLN . 77.2 mt -61.55 -42.73 95.16 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.248 0 CA-C-O 121.082 0.467 . . . . 0.0 110.632 178.61 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 51' ' ' ASN . . . . . . . . . . . . . 30.5 t30 -66.29 -40.38 90.01 Favored 'General case' 0 C--N 1.323 -0.553 0 CA-C-N 115.592 -0.731 . . . . 0.0 110.963 -177.732 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 19.2 mm-40 -75.86 -41.64 51.72 Favored 'General case' 0 C--N 1.324 -0.516 0 CA-C-N 116.188 -0.46 . . . . 0.0 112.185 -176.0 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 33.6 mtmm -93.51 -13.69 27.53 Favored 'General case' 0 C--N 1.327 -0.381 0 N-CA-C 112.361 0.504 . . . . 0.0 112.361 -174.409 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 60.6 mttp 53.55 79.58 0.12 Allowed 'General case' 0 N--CA 1.465 0.315 0 CA-C-O 121.072 0.463 . . . . 0.0 111.04 -175.627 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 55' ' ' LEU . . . . . 0.438 ' HB2' ' CG ' ' A' ' 62' ' ' HIS . 4.5 pp -119.48 144.05 47.21 Favored 'General case' 0 C--N 1.32 -0.675 0 CA-C-O 120.996 0.426 . . . . 0.0 111.29 -178.939 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 56' ' ' ASN . . . . . . . . . . . . . 92.1 m-20 -84.96 135.38 34.06 Favored 'General case' 0 C--N 1.325 -0.486 0 CA-C-N 116.004 -0.543 . . . . 0.0 110.096 176.078 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 57' ' ' MET . . . . . . . . . . . . . 0.5 OUTLIER -83.06 -19.43 36.87 Favored 'General case' 0 C--N 1.322 -0.612 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.77 -176.176 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 58' ' ' MET . . . . . . . . . . . . . 3.7 mpp? -73.87 -34.67 64.55 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-O 121.06 0.457 . . . . 0.0 110.598 -179.246 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 59' ' ' ASN . . . . . . . . . . . . . 2.1 m-20 -65.43 128.56 36.39 Favored 'General case' 0 C--N 1.326 -0.445 0 CA-C-N 115.656 -0.702 . . . . 0.0 110.9 -177.32 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 60' ' ' ALA . . . . . 0.493 ' O ' ' HG2' ' A' ' 64' ' ' LYS . . . -60.15 -24.38 64.67 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 115.814 -0.63 . . . . 0.0 110.277 178.174 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 28.3 mt-10 -48.95 -63.65 1.03 Allowed 'General case' 0 C--O 1.233 0.224 0 CA-C-N 115.43 -0.804 . . . . 0.0 110.671 174.862 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 62' ' ' HIS . . . . . 0.438 ' CG ' ' HB2' ' A' ' 55' ' ' LEU . 71.3 m-70 -81.15 -18.39 46.49 Favored 'General case' 0 C--N 1.326 -0.446 0 CA-C-N 115.328 -0.851 . . . . 0.0 110.424 -174.511 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 63' ' ' ARG . . . . . . . . . . . . . 6.8 tpp180 -64.98 -50.12 67.57 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.102 177.633 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 64' ' ' LYS . . . . . 0.493 ' HG2' ' O ' ' A' ' 60' ' ' ALA . 20.1 pttm -72.67 -27.21 61.96 Favored 'General case' 0 C--N 1.333 -0.147 0 C-N-CA 120.738 -0.385 . . . . 0.0 110.694 178.233 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 68.7 tp -59.49 -52.75 64.23 Favored 'General case' 0 C--O 1.233 0.19 0 N-CA-C 109.878 -0.416 . . . . 0.0 109.878 173.66 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 47.7 tp -58.5 -43.93 89.26 Favored 'General case' 0 N--CA 1.455 -0.209 0 CA-C-N 115.805 -0.634 . . . . 0.0 110.934 177.644 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 67' ' ' GLU . . . . . 0.504 ' O ' HG23 ' A' ' 71' ' ' VAL . 39.7 tt0 -59.32 -52.65 64.75 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.943 -179.062 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 68' ' ' GLN . . . . . . . . . . . . . 43.4 mt-30 -57.98 -50.45 73.36 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.076 -0.511 . . . . 0.0 111.707 -179.216 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 8.5 mm-40 -64.83 -33.92 77.14 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.141 -0.482 . . . . 0.0 111.122 -179.316 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 70' ' ' MET . . . . . . . . . . . . . 50.3 ttm -63.34 -51.23 66.79 Favored 'General case' 0 C--N 1.326 -0.444 0 CA-C-O 120.912 0.387 . . . . 0.0 110.687 178.652 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 71' ' ' VAL . . . . . 0.504 HG23 ' O ' ' A' ' 67' ' ' GLU . 10.8 t -73.03 -10.01 13.54 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.398 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.444 -177.85 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 72' ' ' SER . . . . . 0.471 ' O ' ' HG2' ' A' ' 76' ' ' GLU . 63.6 m -90.51 -63.89 1.21 Allowed 'General case' 0 C--N 1.326 -0.439 0 CA-C-N 116.622 -0.263 . . . . 0.0 111.336 174.608 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 73' ' ' PHE . . . . . . . . . . . . . 81.0 t80 -58.76 -36.69 74.78 Favored 'General case' 0 N--CA 1.464 0.231 0 CA-C-O 120.713 0.292 . . . . 0.0 111.701 -173.824 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 74' ' ' LEU . . . . . 0.499 ' O ' HD11 ' A' ' 34' ' ' ILE . 80.8 mt -97.79 -43.68 7.04 Favored 'General case' 0 C--N 1.322 -0.609 0 N-CA-C 112.21 0.448 . . . . 0.0 112.21 -174.918 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 75' ' ' PHE . . . . . 0.556 ' CZ ' ' HG3' ' A' ' 33' ' ' GLU . 2.8 t80 -99.49 -44.76 6.05 Favored 'General case' 0 C--N 1.322 -0.63 0 CA-C-N 116.287 -0.415 . . . . 0.0 111.985 -167.97 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 76' ' ' GLU . . . . . 0.626 ' HA ' ' OE1' ' A' ' 76' ' ' GLU . 2.7 mm-40 54.5 20.35 2.78 Favored 'General case' 0 N--CA 1.47 0.546 0 C-N-CA 123.546 0.739 . . . . 0.0 112.441 -172.765 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . -118.06 38.77 2.81 Favored Glycine 0 N--CA 1.446 -0.676 0 N-CA-C 109.947 -1.261 . . . . 0.0 109.947 172.816 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 11.9 pttm -70.07 124.63 24.57 Favored 'General case' 0 C--N 1.324 -0.508 0 CA-C-N 114.711 -0.745 . . . . 0.0 111.953 -175.172 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 79' ' ' ASP . . . . . . . . . . . . . 6.3 p-10 -84.35 -17.89 37.99 Favored 'General case' 0 C--N 1.319 -0.749 0 CA-C-N 114.924 -1.035 . . . . 0.0 109.862 174.845 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 80' ' ' VAL . . . . . . . . . . . . . 40.9 t . . . . . 0 C--N 1.326 -0.45 0 CA-C-N 115.479 -0.782 . . . . 0.0 109.481 174.654 . . . . . . . . 0 0 . 1 . 012 nuclear build core ' A' A ' 3' ' ' ARG . . . . . 0.435 ' O ' ' HA ' ' A' ' 15' ' ' GLU . 30.9 tpt180 . . . . . 0 N--CA 1.454 -0.244 0 N-CA-C 109.798 -0.445 . . . . 0.0 109.798 . . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 58.5 m -81.3 109.99 16.33 Favored 'General case' 0 C--N 1.323 -0.585 0 CA-C-O 121.094 0.473 . . . . 0.0 111.338 -179.017 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 5' ' ' ILE . . . . . . . . . . . . . 2.8 pp -126.21 162.03 30.8 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.564 0 CA-C-N 115.545 -0.752 . . . . 0.0 109.682 175.641 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 6' ' ' PHE . . . . . . . . . . . . . 86.9 m-85 -93.99 113.22 25.17 Favored 'General case' 0 C--N 1.32 -0.691 0 N-CA-C 109.77 -0.456 . . . . 0.0 109.77 175.121 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 7' ' ' CYS . . . . . 0.436 ' HA ' ' O ' ' A' ' 33' ' ' GLU . 42.7 t -78.67 137.23 37.71 Favored 'General case' 0 C--N 1.322 -0.601 0 CA-C-N 115.687 -0.688 . . . . 0.0 110.558 -175.88 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 3.0 p -60.08 -56.84 16.69 Favored 'General case' 0 C--N 1.324 -0.523 0 CA-C-N 115.8 -0.636 . . . . 0.0 112.427 -177.351 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 9' ' ' TYR . . . . . . . . . . . . . 46.0 t80 -73.55 -34.54 65.24 Favored 'General case' 0 C--N 1.324 -0.509 0 CA-C-O 120.631 0.253 . . . . 0.0 111.319 -173.963 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 10' ' ' LEU . . . . . 0.419 ' HB2' ' HB3' ' A' ' 7' ' ' CYS . 85.9 mt -80.26 -26.94 38.74 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-O 120.543 0.211 . . . . 0.0 110.953 -178.763 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 26.4 mm-40 63.9 19.65 11.84 Favored 'General case' 0 N--CA 1.466 0.364 0 CA-C-N 116.029 -0.532 . . . . 0.0 111.84 178.047 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 72.2 mtp180 -137.05 179.79 6.17 Favored 'General case' 0 C--N 1.325 -0.483 0 CA-C-N 116.164 -0.471 . . . . 0.0 109.871 178.133 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 6.0 p-10 -79.27 140.0 37.73 Favored 'General case' 0 C--N 1.325 -0.5 0 CA-C-O 121.022 0.439 . . . . 0.0 110.105 178.969 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -156.58 179.02 9.67 Favored 'General case' 0 C--N 1.321 -0.661 0 CA-C-N 115.652 -0.704 . . . . 0.0 109.792 -179.967 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 15' ' ' GLU . . . . . 0.435 ' HA ' ' O ' ' A' ' 3' ' ' ARG . 44.4 tt0 -81.39 134.69 35.6 Favored 'General case' 0 C--N 1.325 -0.458 0 CA-C-N 116.502 -0.317 . . . . 0.0 110.267 -179.831 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . -77.06 63.21 3.25 Favored Glycine 0 C--N 1.33 0.215 0 CA-C-N 116.226 -0.443 . . . . 0.0 113.125 -178.171 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 17' ' ' GLN . . . . . 0.635 ' O ' ' HE2' ' A' ' 36' ' ' LYS . 26.8 mt-30 47.14 -111.05 0.34 Allowed 'General case' 0 C--N 1.329 -0.286 0 N-CA-C 113.666 0.988 . . . . 0.0 113.666 176.489 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 1.5 t70 -148.73 -166.03 2.44 Favored 'General case' 0 C--N 1.326 -0.425 0 N-CA-C 109.743 -0.466 . . . . 0.0 109.743 -170.258 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 43.7 p90 -91.98 168.24 11.54 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-O 121.027 0.441 . . . . 0.0 111.075 179.81 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 29.3 mm-40 -76.56 101.05 5.51 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 116.006 -0.543 . . . . 0.0 110.729 179.731 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 21' ' ' LEU . . . . . 0.688 HD23 ' H ' ' A' ' 21' ' ' LEU . 2.7 pt? -90.0 -12.4 38.74 Favored 'General case' 0 C--N 1.325 -0.483 0 CA-C-N 115.997 -0.547 . . . . 0.0 111.457 -178.927 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 22' ' ' TYR . . . . . 0.436 ' HB3' ' HD3' ' A' ' 23' ' ' PRO . 55.4 t80 -160.93 -55.45 0.01 OUTLIER Pre-proline 0 CA--C 1.539 0.546 0 N-CA-C 112.798 0.666 . . . . 0.0 112.798 -177.236 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 23' ' ' PRO . . . . . 0.436 ' HD3' ' HB3' ' A' ' 22' ' ' TYR . 4.0 Cg_exo -73.97 176.28 9.69 Favored 'Trans proline' 0 C--N 1.355 0.905 0 C-N-CA 121.921 1.747 . . . . 0.0 113.492 -170.902 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -118.72 -109.77 2.4 Favored Glycine 0 N--CA 1.448 -0.53 0 CA-C-N 115.736 -0.666 . . . . 0.0 112.307 179.499 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -62.17 -39.53 92.98 Favored 'General case' 0 N--CA 1.464 0.232 0 CA-C-O 120.559 0.218 . . . . 0.0 111.513 -175.81 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 60.1 tp -68.46 -40.46 81.04 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 121.012 0.435 . . . . 0.0 109.858 -179.128 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . -60.2 -55.53 29.67 Favored Glycine 0 N--CA 1.445 -0.709 0 CA-C-N 115.602 -0.726 . . . . 0.0 111.811 178.397 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 55.2 mtpt -61.55 -36.19 79.91 Favored 'General case' 0 C--N 1.325 -0.497 0 C-N-CA 121.245 -0.182 . . . . 0.0 110.949 -178.074 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 48.9 ttm-85 -54.4 -43.65 71.66 Favored 'General case' 0 C--N 1.329 -0.294 0 O-C-N 123.542 0.526 . . . . 0.0 110.839 178.557 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 30' ' ' ILE . . . . . . . . . . . . . 62.5 mt -81.41 -46.55 20.3 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.517 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.852 -179.993 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 31' ' ' TYR . . . . . 0.421 ' HA ' ' OE1' ' A' ' 17' ' ' GLN . 6.7 m-85 -65.18 -14.49 60.73 Favored 'General case' 0 C--N 1.325 -0.471 0 N-CA-C 113.487 0.921 . . . . 0.0 113.487 -172.085 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 32' ' ' ASN . . . . . . . . . . . . . 2.6 p30 -102.3 -10.42 19.53 Favored 'General case' 0 C--N 1.325 -0.46 0 C-N-CA 119.98 -0.688 . . . . 0.0 111.32 -178.453 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 33' ' ' GLU . . . . . 0.436 ' O ' ' HA ' ' A' ' 7' ' ' CYS . 42.5 mt-10 -126.02 -4.83 6.85 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 121.144 0.497 . . . . 0.0 111.466 -178.015 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 34' ' ' ILE . . . . . 0.405 ' O ' ' HG3' ' A' ' 17' ' ' GLN . 22.0 mm -121.59 136.77 57.44 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.535 0 CA-C-O 121.06 0.457 . . . . 0.0 110.344 176.747 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 13.8 t -94.97 164.63 12.82 Favored 'General case' 0 N--CA 1.445 -0.687 0 CA-C-N 116.0 -0.546 . . . . 0.0 110.1 178.545 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 36' ' ' LYS . . . . . 0.635 ' HE2' ' O ' ' A' ' 17' ' ' GLN . 66.0 mttm -56.77 -33.96 67.13 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 115.926 -0.579 . . . . 0.0 111.004 -179.946 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 33.6 t70 -62.71 -55.78 23.65 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.467 -0.333 . . . . 0.0 111.167 -179.462 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -64.34 -39.26 93.53 Favored 'General case' 0 C--N 1.326 -0.449 0 CA-C-O 120.995 0.426 . . . . 0.0 110.637 179.12 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 39' ' ' TRP . . . . . . . . . . . . . 75.1 t-105 -61.96 -51.36 68.4 Favored 'General case' 0 C--N 1.325 -0.462 0 CA-C-N 115.614 -0.721 . . . . 0.0 110.996 179.64 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -64.99 -36.58 84.88 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.401 -0.363 . . . . 0.0 111.246 -177.882 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 41.3 mt-30 -65.71 -49.12 69.68 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.259 178.052 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 42' ' ' TRP . . . . . 0.412 ' HE1' ' HA ' ' A' ' 70' ' ' MET . 50.0 t-105 -70.91 -36.84 72.87 Favored 'General case' 0 C--O 1.222 -0.357 0 C-N-CA 120.442 -0.503 . . . . 0.0 110.983 -177.711 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 43' ' ' GLN . . . . . . . . . . . . . 33.6 mt-30 -55.67 -49.09 73.87 Favored 'General case' 0 CA--C 1.518 -0.264 0 CA-C-O 121.173 0.511 . . . . 0.0 110.283 174.972 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 44' ' ' HIS . . . . . . . . . . . . . 5.1 t60 -68.62 -45.81 70.93 Favored 'General case' 0 C--N 1.322 -0.609 0 CA-C-N 115.397 -0.82 . . . . 0.0 110.728 -176.301 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 45' ' ' LYS . . . . . 0.47 ' O ' ' HB3' ' A' ' 48' ' ' MET . 17.7 tppt? -65.89 -43.28 88.73 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.102 -178.765 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 46' ' ' GLN . . . . . 0.576 ' O ' HG13 ' A' ' 50' ' ' ILE . 55.5 tp60 -66.55 -31.91 72.93 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-N 116.523 -0.308 . . . . 0.0 110.48 -179.441 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 86.5 m -61.47 -40.54 94.89 Favored 'General case' 0 C--O 1.234 0.263 0 CA-C-O 120.945 0.402 . . . . 0.0 110.001 175.29 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 48' ' ' MET . . . . . 0.473 ' O ' ' HG2' ' A' ' 52' ' ' GLU . 48.9 tpp -57.41 -52.09 66.76 Favored 'General case' 0 C--N 1.332 -0.192 0 CA-C-N 115.921 -0.581 . . . . 0.0 109.748 172.775 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 10.5 mp -58.73 -39.57 81.25 Favored 'General case' 0 C--N 1.331 -0.204 0 CA-C-N 115.803 -0.635 . . . . 0.0 111.749 -179.556 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 50' ' ' ILE . . . . . 0.576 HG13 ' O ' ' A' ' 46' ' ' GLN . 75.9 mt -56.56 -49.33 78.09 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.448 0 CA-C-O 121.012 0.434 . . . . 0.0 110.461 178.394 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 51' ' ' ASN . . . . . . . . . . . . . 90.6 m-20 -70.22 -48.23 57.94 Favored 'General case' 0 C--N 1.322 -0.604 0 CA-C-N 115.986 -0.552 . . . . 0.0 111.024 -178.864 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 52' ' ' GLU . . . . . 0.473 ' HG2' ' O ' ' A' ' 48' ' ' MET . 14.3 mm-40 -65.3 -37.32 86.79 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-N 116.091 -0.504 . . . . 0.0 111.874 -175.579 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 53' ' ' LYS . . . . . 0.469 ' HE3' HD11 ' A' ' 55' ' ' LEU . 55.0 mtmt -94.0 7.42 45.15 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.886 -0.143 . . . . 0.0 111.349 -179.182 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 31.5 mmmt 59.73 39.16 21.26 Favored 'General case' 0 N--CA 1.469 0.525 0 O-C-N 123.473 0.483 . . . . 0.0 111.611 173.881 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 55' ' ' LEU . . . . . 0.469 HD11 ' HE3' ' A' ' 53' ' ' LYS . 43.1 mt -84.93 88.7 7.45 Favored 'General case' 0 C--N 1.324 -0.517 0 CA-C-N 116.028 -0.533 . . . . 0.0 110.938 -176.554 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 56' ' ' ASN . . . . . . . . . . . . . 28.5 p-10 -76.56 116.11 16.94 Favored 'General case' 0 C--N 1.323 -0.557 0 CA-C-O 121.6 0.714 . . . . 0.0 109.424 175.429 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 57' ' ' MET . . . . . . . . . . . . . 24.4 mmt -81.4 15.59 1.97 Allowed 'General case' 0 C--N 1.323 -0.582 0 CA-C-N 115.726 -0.67 . . . . 0.0 112.026 -170.061 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 58' ' ' MET . . . . . . . . . . . . . 88.5 mtp -86.41 -6.63 58.88 Favored 'General case' 0 C--N 1.325 -0.463 0 CA-C-O 121.308 0.575 . . . . 0.0 109.937 174.942 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 59' ' ' ASN . . . . . . . . . . . . . 45.5 m-80 -111.22 138.64 47.42 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 115.714 -0.675 . . . . 0.0 110.286 175.872 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 60' ' ' ALA . . . . . 0.541 ' O ' ' HG2' ' A' ' 64' ' ' LYS . . . -63.1 -24.18 67.78 Favored 'General case' 0 C--N 1.326 -0.446 0 CA-C-N 115.983 -0.553 . . . . 0.0 111.082 -178.471 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 11.1 mm-40 -56.52 -54.45 45.71 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 115.836 -0.62 . . . . 0.0 111.274 178.363 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 62' ' ' HIS . . . . . . . . . . . . . 88.6 m-70 -79.87 -22.3 43.04 Favored 'General case' 0 C--N 1.324 -0.539 0 CA-C-N 116.121 -0.491 . . . . 0.0 110.258 -176.691 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 63' ' ' ARG . . . . . . . . . . . . . 14.8 tpp180 -63.84 -53.18 54.69 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 115.861 -0.608 . . . . 0.0 110.487 178.519 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 64' ' ' LYS . . . . . 0.541 ' HG2' ' O ' ' A' ' 60' ' ' ALA . 16.1 pttm -69.62 -28.75 66.19 Favored 'General case' 0 C--N 1.332 -0.16 0 C-N-CA 120.69 -0.404 . . . . 0.0 110.528 177.944 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 65' ' ' LEU . . . . . 0.426 HD22 ' HA ' ' A' ' 65' ' ' LEU . 0.3 OUTLIER -61.81 -47.25 85.95 Favored 'General case' 0 C--N 1.329 -0.312 0 N-CA-C 109.4 -0.593 . . . . 0.0 109.4 176.204 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 28.8 tp -53.65 -49.41 67.99 Favored 'General case' 0 C--O 1.233 0.187 0 CA-C-N 115.764 -0.653 . . . . 0.0 110.645 175.367 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 67' ' ' GLU . . . . . 0.417 ' O ' HG23 ' A' ' 71' ' ' VAL . 42.1 tt0 -57.19 -51.44 69.31 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 115.186 -0.916 . . . . 0.0 110.568 178.909 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 68' ' ' GLN . . . . . . . . . . . . . 70.8 mt-30 -59.49 -43.08 93.41 Favored 'General case' 0 C--N 1.325 -0.477 0 CA-C-N 115.582 -0.735 . . . . 0.0 111.793 -177.921 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 19.3 mt-10 -65.41 -41.37 93.7 Favored 'General case' 0 C--O 1.234 0.261 0 CA-C-O 120.871 0.367 . . . . 0.0 110.538 178.607 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 70' ' ' MET . . . . . 0.412 ' HA ' ' HE1' ' A' ' 42' ' ' TRP . 52.8 ttm -63.74 -50.37 69.36 Favored 'General case' 0 C--N 1.331 -0.205 0 CA-C-N 115.911 -0.586 . . . . 0.0 111.368 -176.952 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 71' ' ' VAL . . . . . 0.417 HG23 ' O ' ' A' ' 67' ' ' GLU . 44.3 t -66.19 -32.94 60.34 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.351 0 CA-C-N 116.497 -0.32 . . . . 0.0 111.19 -177.763 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 47.6 m -71.35 -35.24 71.09 Favored 'General case' 0 C--N 1.325 -0.48 0 CA-C-O 120.567 0.223 . . . . 0.0 111.445 -179.483 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 73' ' ' PHE . . . . . . . . . . . . . 49.8 t80 -87.99 -57.18 3.03 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-O 120.694 0.283 . . . . 0.0 111.38 -176.522 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 74' ' ' LEU . . . . . . . . . . . . . 48.8 mt -72.85 -51.7 17.76 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.396 -0.366 . . . . 0.0 111.954 -174.144 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 75' ' ' PHE . . . . . . . . . . . . . 56.8 t80 -79.37 -42.9 24.55 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-N 116.608 -0.269 . . . . 0.0 110.332 -177.116 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 23.6 tt0 58.06 75.15 0.4 Allowed 'General case' 0 C--O 1.236 0.385 0 CA-C-O 122.01 0.909 . . . . 0.0 110.328 -177.922 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . 161.88 58.81 0.02 OUTLIER Glycine 0 N--CA 1.448 -0.529 0 CA-C-N 114.878 -1.055 . . . . 0.0 111.424 -177.287 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 78' ' ' LYS . . . . . 0.456 ' HD3' ' O ' ' A' ' 80' ' ' VAL . 1.5 pptp? -109.52 156.32 20.27 Favored 'General case' 0 C--N 1.322 -0.628 0 CA-C-O 120.72 0.295 . . . . 0.0 110.74 -178.37 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 79' ' ' ASP . . . . . . . . . . . . . 8.1 p-10 -102.24 -22.37 14.18 Favored 'General case' 0 C--N 1.324 -0.507 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.778 179.512 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 80' ' ' VAL . . . . . 0.456 ' O ' ' HD3' ' A' ' 78' ' ' LYS . 31.2 t . . . . . 0 C--N 1.326 -0.42 0 CA-C-N 115.917 -0.583 . . . . 0.0 110.798 -178.756 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 3' ' ' ARG . . . . . . . . . . . . . 12.6 ttm180 . . . . . 0 N--CA 1.448 -0.554 0 N-CA-C 109.176 -0.675 . . . . 0.0 109.176 . . . . . . . . . 0 0 . 1 . 013 nuclear build core ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 30.0 m -68.1 113.46 5.79 Favored 'General case' 0 C--N 1.324 -0.53 0 CA-C-N 115.744 -0.662 . . . . 0.0 110.708 -179.304 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 5' ' ' ILE . . . . . . . . . . . . . 2.5 pp -123.87 160.57 27.58 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.698 0 CA-C-N 115.884 -0.598 . . . . 0.0 110.655 -179.567 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 6' ' ' PHE . . . . . . . . . . . . . 81.3 m-85 -90.34 95.35 10.14 Favored 'General case' 0 C--N 1.321 -0.657 0 N-CA-C 109.55 -0.537 . . . . 0.0 109.55 174.15 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 7' ' ' CYS . . . . . 0.415 ' HB3' ' HB2' ' A' ' 10' ' ' LEU . 50.0 t -53.64 141.06 27.19 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 115.451 -0.795 . . . . 0.0 111.215 -177.243 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 2.1 p -58.88 -39.3 80.99 Favored 'General case' 0 C--N 1.325 -0.495 0 CA-C-N 116.113 -0.494 . . . . 0.0 111.696 -178.671 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 9' ' ' TYR . . . . . . . . . . . . . 76.9 t80 -83.09 -42.13 17.76 Favored 'General case' 0 C--N 1.326 -0.439 0 CA-C-N 116.105 -0.498 . . . . 0.0 111.227 -176.939 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 10' ' ' LEU . . . . . 0.415 ' HB2' ' HB3' ' A' ' 7' ' ' CYS . 79.3 mt -81.41 -35.49 30.63 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.57 -0.286 . . . . 0.0 111.489 -174.382 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 26.2 mm-40 62.73 19.69 11.58 Favored 'General case' 0 N--CA 1.466 0.347 0 CA-C-O 121.135 0.493 . . . . 0.0 111.542 -176.97 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 78.3 mtp180 -128.76 177.01 7.37 Favored 'General case' 0 C--N 1.323 -0.556 0 CA-C-N 116.113 -0.494 . . . . 0.0 109.827 -179.303 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 5.1 m-20 -63.29 114.7 3.97 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 123.477 0.486 . . . . 0.0 110.182 176.504 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -132.56 174.19 10.53 Favored 'General case' 0 C--N 1.316 -0.876 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.599 -179.288 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 7.9 tp10 -100.99 134.85 43.36 Favored 'General case' 0 C--N 1.321 -0.652 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.758 -175.459 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . -66.65 128.48 29.65 Favored Glycine 0 N--CA 1.444 -0.789 0 C-N-CA 120.602 -0.809 . . . . 0.0 111.512 174.776 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 17' ' ' GLN . . . . . 0.528 ' O ' ' HB3' ' A' ' 31' ' ' TYR . 15.4 mm-40 -77.58 112.69 14.63 Favored 'General case' 0 C--N 1.323 -0.579 0 CA-C-O 120.891 0.377 . . . . 0.0 110.934 -179.389 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 6.4 m-20 -95.53 94.73 7.94 Favored 'General case' 0 C--N 1.323 -0.562 0 CA-C-O 120.959 0.409 . . . . 0.0 111.222 175.868 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 24.5 m-85 -144.57 127.69 16.6 Favored 'General case' 0 C--N 1.323 -0.574 0 CA-C-N 115.454 -0.794 . . . . 0.0 110.775 178.491 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 23.6 mm-40 -136.01 28.78 3.15 Favored 'General case' 0 C--N 1.321 -0.661 0 CA-C-N 115.289 -0.869 . . . . 0.0 109.211 177.901 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 21' ' ' LEU . . . . . 0.515 ' H ' ' CD1' ' A' ' 21' ' ' LEU . 0.0 OUTLIER -73.15 -6.3 44.88 Favored 'General case' 0 N--CA 1.465 0.308 0 CA-C-N 115.279 -0.873 . . . . 0.0 111.967 -173.616 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 22' ' ' TYR . . . . . 0.516 ' HB3' ' HD3' ' A' ' 23' ' ' PRO . 90.1 t80 -159.06 -53.05 0.01 OUTLIER Pre-proline 0 C--N 1.321 -0.631 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.894 -179.983 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 23' ' ' PRO . . . . . 0.516 ' HD3' ' HB3' ' A' ' 22' ' ' TYR . 83.9 Cg_endo -86.25 169.87 8.39 Favored 'Trans proline' 0 C--N 1.356 0.949 0 C-N-CA 121.738 1.626 . . . . 0.0 112.674 178.49 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -127.19 -97.57 0.98 Allowed Glycine 0 N--CA 1.447 -0.622 0 CA-C-N 115.686 -0.688 . . . . 0.0 111.824 178.246 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 3.5 tm-20 -59.22 -57.03 14.8 Favored 'General case' 0 CA--C 1.52 -0.177 0 O-C-N 123.736 0.316 . . . . 0.0 110.286 179.518 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 45.5 tp -61.3 -32.21 72.06 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.067 -0.515 . . . . 0.0 110.469 -179.052 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . -59.94 -62.37 6.16 Favored Glycine 0 N--CA 1.447 -0.575 0 C-N-CA 120.95 -0.643 . . . . 0.0 111.837 176.297 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 67.5 mttm -58.64 -35.74 72.98 Favored 'General case' 0 C--O 1.224 -0.257 0 CA-C-O 120.878 0.37 . . . . 0.0 110.507 179.313 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 29' ' ' ARG . . . . . 0.408 HH11 ' HD2' ' A' ' 29' ' ' ARG . 34.1 ttt85 -52.74 -44.51 66.49 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-N 115.698 -0.683 . . . . 0.0 110.858 178.938 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 30' ' ' ILE . . . . . . . . . . . . . 65.5 mt -80.24 -40.86 20.41 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 CA-C-N 115.996 -0.547 . . . . 0.0 110.686 178.561 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 31' ' ' TYR . . . . . 0.528 ' HB3' ' O ' ' A' ' 17' ' ' GLN . 19.4 m-85 -71.07 -8.86 56.35 Favored 'General case' 0 C--N 1.324 -0.524 0 N-CA-C 112.587 0.588 . . . . 0.0 112.587 -174.581 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 32' ' ' ASN . . . . . . . . . . . . . 5.3 m-20 -88.23 -21.77 24.33 Favored 'General case' 0 C--N 1.325 -0.484 0 CA-C-O 120.923 0.392 . . . . 0.0 110.383 174.949 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 31.3 mm-40 -104.63 -24.77 12.93 Favored 'General case' 0 C--N 1.325 -0.474 0 CA-C-N 115.991 -0.55 . . . . 0.0 110.182 -179.442 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 34' ' ' ILE . . . . . 0.433 HG13 ' HB3' ' A' ' 74' ' ' LEU . 29.6 mm -115.88 138.77 45.24 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.593 0 CA-C-N 115.726 -0.67 . . . . 0.0 111.228 -175.666 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 23.1 m -114.94 -171.06 1.87 Allowed 'General case' 0 N--CA 1.445 -0.71 0 CA-C-N 115.302 -0.863 . . . . 0.0 111.085 -178.56 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 36' ' ' LYS . . . . . 0.498 ' HA ' ' NE2' ' A' ' 17' ' ' GLN . 27.4 mmtp -54.76 -51.64 65.07 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 115.406 -0.815 . . . . 0.0 111.275 -175.186 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 14.5 t70 -56.89 -53.53 56.95 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 115.511 -0.768 . . . . 0.0 111.357 -173.559 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -69.36 -42.45 75.23 Favored 'General case' 0 C--N 1.324 -0.514 0 CA-C-N 115.928 -0.578 . . . . 0.0 111.54 -176.333 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 39' ' ' TRP . . . . . . . . . . . . . 74.4 t-105 -67.28 -50.56 59.85 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 120.771 0.32 . . . . 0.0 111.08 -176.593 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -61.0 -43.18 99.27 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.093 -0.503 . . . . 0.0 111.365 -176.215 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 92.8 mt-30 -69.12 -44.49 72.3 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 116.49 -0.323 . . . . 0.0 111.486 -177.71 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 42' ' ' TRP . . . . . 0.512 ' NE1' ' HA ' ' A' ' 70' ' ' MET . 32.5 t-105 -62.01 -50.75 70.82 Favored 'General case' 0 C--N 1.331 -0.23 0 C-N-CA 121.011 -0.276 . . . . 0.0 111.271 -179.621 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 43' ' ' GLN . . . . . . . . . . . . . 15.9 mm100 -62.9 -38.69 91.96 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-O 120.641 0.257 . . . . 0.0 111.008 -178.09 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 44' ' ' HIS . . . . . . . . . . . . . 80.4 t60 -64.23 -40.81 96.81 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-O 120.972 0.415 . . . . 0.0 110.213 176.6 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 22.9 tptm -64.84 -46.01 83.69 Favored 'General case' 0 C--N 1.326 -0.438 0 CA-C-N 116.087 -0.506 . . . . 0.0 110.56 179.43 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 46' ' ' GLN . . . . . 0.513 ' O ' HG13 ' A' ' 50' ' ' ILE . 60.0 tp60 -61.48 -42.19 98.4 Favored 'General case' 0 C--N 1.326 -0.443 0 CA-C-N 116.229 -0.442 . . . . 0.0 110.435 179.333 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 40.6 m -58.5 -37.78 76.29 Favored 'General case' 0 C--N 1.332 -0.153 0 CA-C-N 116.348 -0.387 . . . . 0.0 110.901 178.483 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 48' ' ' MET . . . . . . . . . . . . . 15.9 tpt -63.82 -40.88 97.67 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.552 179.62 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 11.0 mp -69.31 -31.36 69.78 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.333 -0.394 . . . . 0.0 110.553 178.267 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 50' ' ' ILE . . . . . 0.513 HG13 ' O ' ' A' ' 46' ' ' GLN . 73.0 mt -65.47 -37.82 80.98 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.211 174.769 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 51' ' ' ASN . . . . . . . . . . . . . 84.0 m-20 -71.3 -34.4 70.58 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-O 121.155 0.503 . . . . 0.0 110.237 178.218 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 32.4 tt0 -70.89 -56.32 6.53 Favored 'General case' 0 C--N 1.324 -0.506 0 CA-C-N 115.368 -0.833 . . . . 0.0 111.339 -178.256 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 51.6 mtmt -90.05 -12.69 37.77 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-N 116.008 -0.542 . . . . 0.0 111.808 -172.597 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 95.4 mttt 57.82 73.44 0.47 Allowed 'General case' 0 N--CA 1.465 0.278 0 O-C-N 123.698 0.624 . . . . 0.0 111.375 177.841 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 4.3 pp -124.3 154.9 39.58 Favored 'General case' 0 C--N 1.325 -0.489 0 CA-C-N 116.34 -0.391 . . . . 0.0 111.549 -177.057 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 56' ' ' ASN . . . . . . . . . . . . . 86.0 m-20 -113.64 142.48 45.94 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.79 177.629 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 57' ' ' MET . . . . . . . . . . . . . 24.0 mmt -85.79 6.73 26.68 Favored 'General case' 0 C--N 1.325 -0.457 0 CA-C-N 116.101 -0.5 . . . . 0.0 110.646 -179.074 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 58' ' ' MET . . . . . . . . . . . . . 70.9 mtm -78.17 -10.75 59.78 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.07 -0.514 . . . . 0.0 110.633 178.588 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 59' ' ' ASN . . . . . . . . . . . . . 68.6 m-20 -104.98 145.7 30.06 Favored 'General case' 0 C--N 1.325 -0.484 0 N-CA-C 109.673 -0.492 . . . . 0.0 109.673 177.518 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 60' ' ' ALA . . . . . 0.484 ' O ' ' HG2' ' A' ' 64' ' ' LYS . . . -61.29 -27.2 68.3 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-N 116.352 -0.385 . . . . 0.0 111.094 -179.591 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 61' ' ' GLU . . . . . 0.456 ' H ' ' HG3' ' A' ' 61' ' ' GLU . 9.8 mt-10 -46.0 -56.02 6.08 Favored 'General case' 0 C--O 1.237 0.405 0 CA-C-O 121.839 0.828 . . . . 0.0 110.526 176.911 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 62' ' ' HIS . . . . . 0.43 ' HA ' ' HB3' ' A' ' 65' ' ' LEU . 67.0 m-70 -93.78 -18.72 21.75 Favored 'General case' 0 C--N 1.32 -0.702 0 CA-C-N 114.981 -1.009 . . . . 0.0 110.776 -170.514 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 63' ' ' ARG . . . . . 0.59 ' NH1' ' HB2' ' A' ' 67' ' ' GLU . 0.0 OUTLIER -63.54 -44.0 95.47 Favored 'General case' 0 C--N 1.33 -0.266 0 N-CA-C 109.043 -0.725 . . . . 0.0 109.043 174.484 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 64' ' ' LYS . . . . . 0.484 ' HG2' ' O ' ' A' ' 60' ' ' ALA . 20.3 pttp -75.12 -29.36 60.54 Favored 'General case' 0 N--CA 1.455 -0.18 0 CA-C-N 116.368 -0.378 . . . . 0.0 110.416 176.654 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 65' ' ' LEU . . . . . 0.43 ' HB3' ' HA ' ' A' ' 62' ' ' HIS . 44.8 tp -56.02 -57.54 11.69 Favored 'General case' 0 C--O 1.233 0.222 0 CA-C-O 120.687 0.279 . . . . 0.0 110.422 174.061 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 10.1 tt -61.26 -40.06 92.67 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.011 -0.541 . . . . 0.0 109.892 179.063 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 67' ' ' GLU . . . . . 0.59 ' HB2' ' NH1' ' A' ' 63' ' ' ARG . 18.3 tp10 -49.92 -59.4 3.9 Favored 'General case' 0 C--O 1.239 0.522 0 CA-C-O 121.411 0.625 . . . . 0.0 110.613 175.374 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 68' ' ' GLN . . . . . . . . . . . . . 56.2 mt-30 -57.06 -60.95 2.84 Favored 'General case' 0 C--N 1.325 -0.475 0 CA-C-N 115.059 -0.973 . . . . 0.0 110.87 -179.022 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 69' ' ' GLU . . . . . 0.461 ' HB3' ' CZ2' ' A' ' 42' ' ' TRP . 5.6 mm-40 -61.43 -43.73 98.36 Favored 'General case' 0 C--N 1.325 -0.469 0 N-CA-C 112.899 0.703 . . . . 0.0 112.899 -172.814 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 70' ' ' MET . . . . . 0.512 ' HA ' ' NE1' ' A' ' 42' ' ' TRP . 59.9 ttp -61.12 -59.23 5.66 Favored 'General case' 0 CA--C 1.518 -0.251 0 CA-C-O 120.589 0.233 . . . . 0.0 111.185 -176.345 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 71' ' ' VAL . . . . . 0.508 ' HB ' ' HD2' ' A' ' 78' ' ' LYS . 59.2 t -67.79 -22.77 28.56 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.42 0 CA-C-O 121.016 0.436 . . . . 0.0 110.732 -176.919 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 17.1 t -74.55 -54.83 6.73 Favored 'General case' 0 C--O 1.22 -0.5 0 O-C-N 122.013 -0.43 . . . . 0.0 110.394 177.722 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 73' ' ' PHE . . . . . . . . . . . . . 68.2 t80 -64.01 -28.19 69.63 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-O 120.982 0.42 . . . . 0.0 111.11 -176.837 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 74' ' ' LEU . . . . . 0.433 ' HB3' HG13 ' A' ' 34' ' ' ILE . 93.3 mt -94.66 -28.46 15.34 Favored 'General case' 0 C--N 1.323 -0.563 0 N-CA-C 112.626 0.602 . . . . 0.0 112.626 -175.15 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 75' ' ' PHE . . . . . 0.472 ' HB2' ' O ' ' A' ' 71' ' ' VAL . 77.4 m-85 -115.95 -43.7 2.97 Favored 'General case' 0 N--CA 1.468 0.463 0 O-C-N 122.037 -0.414 . . . . 0.0 112.004 -178.615 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 6.5 mm-40 65.05 101.09 0.04 OUTLIER 'General case' 0 N--CA 1.463 0.221 0 O-C-N 123.735 0.647 . . . . 0.0 111.743 -175.946 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . 128.31 48.03 0.17 Allowed Glycine 0 N--CA 1.448 -0.552 0 C-N-CA 120.728 -0.748 . . . . 0.0 112.583 178.201 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 78' ' ' LYS . . . . . 0.508 ' HD2' ' HB ' ' A' ' 71' ' ' VAL . 42.2 mtpt -78.68 170.46 16.62 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 121.156 0.503 . . . . 0.0 111.064 179.539 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 79' ' ' ASP . . . . . . . . . . . . . 50.6 m-20 -90.75 -24.85 20.25 Favored 'General case' 0 C--N 1.323 -0.548 0 N-CA-C 109.336 -0.616 . . . . 0.0 109.336 173.14 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 80' ' ' VAL . . . . . . . . . . . . . 46.4 t . . . . . 0 C--N 1.328 -0.344 0 CA-C-N 115.366 -0.834 . . . . 0.0 109.064 172.923 . . . . . . . . 0 0 . 1 . 014 nuclear build core ' A' A ' 3' ' ' ARG . . . . . . . . . . . . . 59.8 ttp180 . . . . . 0 N--CA 1.45 -0.432 0 N-CA-C 108.779 -0.823 . . . . 0.0 108.779 . . . . . . . . . 0 0 . 1 . 014 nuclear build core ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 1.7 m -93.65 125.43 38.26 Favored 'General case' 0 C--N 1.318 -0.789 0 CA-C-N 115.542 -0.754 . . . . 0.0 110.23 -175.739 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 5' ' ' ILE . . . . . . . . . . . . . 2.7 pp -129.75 174.03 13.2 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.571 0 CA-C-O 120.986 0.422 . . . . 0.0 111.317 -175.184 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 6' ' ' PHE . . . . . . . . . . . . . 98.7 m-85 -92.59 106.09 18.13 Favored 'General case' 0 C--N 1.321 -0.656 0 N-CA-C 109.54 -0.541 . . . . 0.0 109.54 175.373 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 7' ' ' CYS . . . . . 0.57 ' SG ' ' HB2' ' A' ' 10' ' ' LEU . 13.8 p -82.4 140.15 33.63 Favored 'General case' 0 C--N 1.323 -0.582 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.662 -177.968 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 12.7 p -75.36 -20.27 59.1 Favored 'General case' 0 C--N 1.326 -0.442 0 N-CA-C 112.644 0.609 . . . . 0.0 112.644 -175.635 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 9' ' ' TYR . . . . . . . . . . . . . 47.1 t80 -74.71 -50.05 18.93 Favored 'General case' 0 C--N 1.327 -0.398 0 C-N-CA 120.683 -0.407 . . . . 0.0 110.732 178.239 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 10' ' ' LEU . . . . . 0.57 ' HB2' ' SG ' ' A' ' 7' ' ' CYS . 68.7 mt -86.59 -19.16 29.79 Favored 'General case' 0 C--N 1.325 -0.468 0 CA-C-N 116.459 -0.337 . . . . 0.0 110.578 -179.018 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 74.4 mm-40 63.13 28.11 15.91 Favored 'General case' 0 C--O 1.233 0.194 0 CA-C-N 115.684 -0.689 . . . . 0.0 111.166 179.713 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 29.5 ptt180 -155.27 176.73 12.19 Favored 'General case' 0 N--CA 1.448 -0.54 0 CA-C-O 121.211 0.529 . . . . 0.0 111.295 177.948 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 20.7 t70 -66.51 123.97 21.49 Favored 'General case' 0 C--N 1.323 -0.561 0 CA-C-N 114.707 -1.133 . . . . 0.0 111.853 -173.441 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -156.5 168.03 28.63 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.279 -179.167 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 15' ' ' GLU . . . . . 0.553 ' O ' ' HA ' ' A' ' 35' ' ' SER . 9.1 mp0 -70.01 125.3 26.34 Favored 'General case' 0 CA--C 1.514 -0.432 0 N-CA-C 110.188 -0.301 . . . . 0.0 110.188 -179.274 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . -71.66 160.42 54.05 Favored Glycine 0 N--CA 1.447 -0.624 0 C-N-CA 120.579 -0.82 . . . . 0.0 111.44 177.057 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 17' ' ' GLN . . . . . . . . . . . . . 59.2 tp60 -66.54 163.61 18.3 Favored 'General case' 0 C--N 1.327 -0.412 0 N-CA-C 109.321 -0.622 . . . . 0.0 109.321 177.902 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 11.5 t70 -73.71 -94.29 0.02 OUTLIER 'General case' 0 C--N 1.327 -0.371 0 N-CA-C 112.849 0.685 . . . . 0.0 112.849 -168.32 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 24.2 m-85 -147.74 -171.55 3.84 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 121.07 0.462 . . . . 0.0 111.94 -174.443 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 13.9 mm100 -70.87 93.88 1.01 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 115.249 -0.887 . . . . 0.0 110.921 -178.106 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -107.58 -2.49 20.25 Favored 'General case' 0 C--N 1.321 -0.659 0 CA-C-N 115.955 -0.566 . . . . 0.0 111.498 179.27 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 22' ' ' TYR . . . . . 0.491 ' HB3' ' HD3' ' A' ' 23' ' ' PRO . 71.1 t80 -168.28 -54.54 0.0 OUTLIER Pre-proline 0 CA--C 1.538 0.509 0 N-CA-C 112.519 0.563 . . . . 0.0 112.519 -179.428 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 23' ' ' PRO . . . . . 0.491 ' HD3' ' HB3' ' A' ' 22' ' ' TYR . 2.8 Cg_endo -84.47 -178.61 3.44 Favored 'Trans proline' 0 C--N 1.357 0.985 0 C-N-CA 122.133 1.889 . . . . 0.0 112.736 -174.112 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -111.09 -128.16 5.26 Favored Glycine 0 N--CA 1.45 -0.381 0 C-N-CA 120.968 -0.634 . . . . 0.0 112.962 -177.946 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 25' ' ' GLU . . . . . 0.42 ' O ' ' HG2' ' A' ' 28' ' ' LYS . 0.8 OUTLIER -58.89 -46.81 86.94 Favored 'General case' 0 N--CA 1.465 0.289 0 N-CA-C 112.497 0.554 . . . . 0.0 112.497 -174.422 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 91.3 mt -64.46 -34.55 78.46 Favored 'General case' 0 C--N 1.326 -0.455 0 CA-C-O 120.714 0.292 . . . . 0.0 110.35 179.4 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 27' ' ' GLY . . . . . 0.447 ' HA3' ' HB2' ' A' ' 23' ' ' PRO . . . -60.09 -55.87 27.85 Favored Glycine 0 N--CA 1.445 -0.766 0 C-N-CA 120.771 -0.728 . . . . 0.0 111.794 178.383 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 28' ' ' LYS . . . . . 0.42 ' HG2' ' O ' ' A' ' 25' ' ' GLU . 47.6 pttt -64.33 -35.65 81.57 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.585 0.231 . . . . 0.0 110.69 -177.934 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 59.8 ttt180 -57.99 -54.99 40.68 Favored 'General case' 0 N--CA 1.454 -0.263 0 N-CA-C 109.991 -0.374 . . . . 0.0 109.991 177.512 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 30' ' ' ILE . . . . . . . . . . . . . 88.2 mt -62.57 -37.65 79.45 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.422 0 CA-C-N 115.661 -0.7 . . . . 0.0 110.858 -179.34 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 31' ' ' TYR . . . . . . . . . . . . . 15.5 m-30 -61.68 -26.51 68.07 Favored 'General case' 0 C--N 1.327 -0.384 0 N-CA-C 111.749 0.278 . . . . 0.0 111.749 -179.191 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 32' ' ' ASN . . . . . . . . . . . . . 26.5 m-80 -87.72 -5.65 58.57 Favored 'General case' 0 C--N 1.326 -0.449 0 N-CA-C 112.063 0.394 . . . . 0.0 112.063 -179.7 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 33' ' ' GLU . . . . . 0.463 ' O ' ' HA ' ' A' ' 7' ' ' CYS . 8.7 pt-20 -132.43 13.93 4.55 Favored 'General case' 0 C--N 1.326 -0.439 0 CA-C-O 121.125 0.488 . . . . 0.0 111.178 178.612 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 34' ' ' ILE . . . . . 0.445 HD13 ' HA ' ' A' ' 34' ' ' ILE . 11.7 mm -135.14 133.61 53.11 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.424 0 CA-C-O 121.256 0.551 . . . . 0.0 110.665 178.025 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 35' ' ' SER . . . . . 0.553 ' HA ' ' O ' ' A' ' 15' ' ' GLU . 15.6 t -74.28 158.2 34.47 Favored 'General case' 0 C--N 1.323 -0.578 0 CA-C-N 115.144 -0.934 . . . . 0.0 111.88 -176.207 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 32.1 mmtp -50.85 -42.49 58.7 Favored 'General case' 0 C--O 1.232 0.159 0 CA-C-N 115.269 -0.878 . . . . 0.0 109.67 169.993 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 2.5 m-20 -64.77 -56.81 11.31 Favored 'General case' 0 CA--C 1.518 -0.281 0 CA-C-N 115.186 -0.916 . . . . 0.0 110.472 179.373 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -56.83 -44.91 82.53 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 115.642 -0.708 . . . . 0.0 112.056 -175.325 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 39' ' ' TRP . . . . . . . . . . . . . 76.8 t-105 -64.08 -43.54 95.11 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-O 120.981 0.42 . . . . 0.0 110.732 -178.953 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -67.58 -40.52 84.84 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 115.938 -0.574 . . . . 0.0 110.753 -179.55 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 90.4 mt-30 -57.7 -45.6 85.46 Favored 'General case' 0 C--N 1.331 -0.21 0 CA-C-N 115.822 -0.626 . . . . 0.0 111.166 178.992 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 42' ' ' TRP . . . . . . . . . . . . . 25.1 t-105 -62.64 -49.48 75.01 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.444 -0.343 . . . . 0.0 111.189 -179.901 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 43' ' ' GLN . . . . . . . . . . . . . 41.2 mt-30 -60.42 -42.56 96.28 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-O 120.914 0.388 . . . . 0.0 110.29 179.771 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 44' ' ' HIS . . . . . . . . . . . . . 8.2 t-160 -60.18 -47.49 85.72 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 115.769 -0.65 . . . . 0.0 110.105 179.383 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 17.3 tppt? -61.44 -52.42 64.61 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 115.434 -0.803 . . . . 0.0 110.738 178.727 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 46' ' ' GLN . . . . . 0.561 ' O ' HG13 ' A' ' 50' ' ' ILE . 6.6 tp-100 -62.93 -37.25 86.26 Favored 'General case' 0 C--O 1.22 -0.461 0 CA-C-N 116.347 -0.388 . . . . 0.0 111.297 -176.476 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 89.0 m -56.42 -44.92 80.82 Favored 'General case' 0 C--O 1.237 0.422 0 CA-C-O 121.198 0.523 . . . . 0.0 110.421 176.919 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 48' ' ' MET . . . . . . . . . . . . . 26.9 ttt -63.0 -44.64 95.46 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 115.74 -0.664 . . . . 0.0 110.007 176.425 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 8.5 mp -61.51 -38.33 86.95 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 115.961 -0.563 . . . . 0.0 111.747 -179.835 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 50' ' ' ILE . . . . . 0.561 HG13 ' O ' ' A' ' 46' ' ' GLN . 76.4 mt -62.71 -36.71 76.58 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.428 0 CA-C-O 120.75 0.31 . . . . 0.0 110.458 178.176 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 51' ' ' ASN . . . . . . . . . . . . . 87.7 m-20 -76.44 -26.99 56.04 Favored 'General case' 0 C--N 1.323 -0.555 0 CA-C-N 116.381 -0.372 . . . . 0.0 111.208 178.449 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 13.3 mm-40 -84.09 -48.65 9.66 Favored 'General case' 0 C--N 1.324 -0.536 0 CA-C-N 116.344 -0.389 . . . . 0.0 111.397 -179.453 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 93.9 mttt -73.33 -28.95 62.36 Favored 'General case' 0 C--N 1.324 -0.502 0 N-CA-C 109.568 -0.53 . . . . 0.0 109.568 178.447 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 97.3 mttt 51.33 77.39 0.14 Allowed 'General case' 0 C--O 1.234 0.248 0 CA-C-N 115.128 -0.942 . . . . 0.0 111.077 -175.028 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 55' ' ' LEU . . . . . 0.441 ' O ' HD12 ' A' ' 55' ' ' LEU . 2.8 pp -126.0 155.31 41.64 Favored 'General case' 0 C--N 1.322 -0.601 0 CA-C-N 114.697 -1.138 . . . . 0.0 110.866 -177.137 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 56' ' ' ASN . . . . . . . . . . . . . 9.2 m120 -98.39 119.82 37.73 Favored 'General case' 0 C--N 1.323 -0.584 0 CA-C-N 115.805 -0.634 . . . . 0.0 109.834 179.13 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 57' ' ' MET . . . . . . . . . . . . . 21.1 mmt -74.41 -7.26 52.31 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-O 120.97 0.414 . . . . 0.0 111.165 179.25 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 58' ' ' MET . . . . . . . . . . . . . 1.9 mpt? -64.78 -32.53 74.26 Favored 'General case' 0 C--N 1.327 -0.413 0 CA-C-N 115.941 -0.572 . . . . 0.0 110.402 176.666 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 59' ' ' ASN . . . . . . . . . . . . . 15.1 m120 -81.61 136.31 35.54 Favored 'General case' 0 C--N 1.325 -0.477 0 CA-C-N 115.936 -0.574 . . . . 0.0 110.32 -179.181 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -58.73 -30.39 67.43 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.15 -179.433 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 48.5 mt-10 -46.28 -55.99 6.43 Favored 'General case' 0 N--CA 1.464 0.244 0 CA-C-N 115.682 -0.69 . . . . 0.0 111.233 174.958 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 62' ' ' HIS . . . . . . . . . . . . . 29.2 m80 -85.38 -21.07 29.01 Favored 'General case' 0 C--N 1.323 -0.562 0 CA-C-N 115.206 -0.906 . . . . 0.0 110.847 -171.961 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 63' ' ' ARG . . . . . . . . . . . . . 22.7 tpp180 -65.28 -50.44 65.73 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.225 178.345 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 64' ' ' LYS . . . . . 0.55 ' O ' ' HG3' ' A' ' 68' ' ' GLN . 45.4 pttt -75.13 -26.77 59.44 Favored 'General case' 0 C--N 1.327 -0.387 0 C-N-CA 120.37 -0.532 . . . . 0.0 109.973 179.081 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 65' ' ' LEU . . . . . 0.427 ' O ' ' HG3' ' A' ' 69' ' ' GLU . 60.9 tp -59.42 -46.42 88.77 Favored 'General case' 0 C--O 1.233 0.196 0 N-CA-C 109.749 -0.463 . . . . 0.0 109.749 174.868 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 54.7 tp -54.87 -46.1 74.67 Favored 'General case' 0 N--CA 1.454 -0.25 0 CA-C-N 115.663 -0.699 . . . . 0.0 110.435 174.774 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 67' ' ' GLU . . . . . 0.478 ' O ' HG23 ' A' ' 71' ' ' VAL . 35.8 tt0 -59.07 -50.95 72.1 Favored 'General case' 0 C--N 1.331 -0.239 0 CA-C-N 115.973 -0.558 . . . . 0.0 110.826 178.248 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 68' ' ' GLN . . . . . 0.55 ' HG3' ' O ' ' A' ' 64' ' ' LYS . 75.4 mt-30 -58.94 -44.66 91.44 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.36 -0.382 . . . . 0.0 111.193 -177.836 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 69' ' ' GLU . . . . . 0.427 ' HG3' ' O ' ' A' ' 65' ' ' LEU . 33.2 mt-10 -66.44 -39.16 88.73 Favored 'General case' 0 C--N 1.331 -0.198 0 CA-C-O 120.873 0.368 . . . . 0.0 110.239 178.618 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 70' ' ' MET . . . . . . . . . . . . . 49.8 ttm -62.54 -48.55 79.03 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.847 179.961 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 71' ' ' VAL . . . . . 0.478 HG23 ' O ' ' A' ' 67' ' ' GLU . 59.5 t -65.88 -24.69 34.6 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 CA-C-N 115.741 -0.663 . . . . 0.0 110.57 -179.772 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 9.3 t -79.71 -33.54 40.86 Favored 'General case' 0 C--N 1.323 -0.56 0 CA-C-O 120.832 0.348 . . . . 0.0 110.673 178.746 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 73' ' ' PHE . . . . . . . . . . . . . 64.0 t80 -86.58 -51.39 6.19 Favored 'General case' 0 C--N 1.324 -0.535 0 CA-C-N 116.326 -0.397 . . . . 0.0 111.522 -174.871 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 74' ' ' LEU . . . . . . . . . . . . . 96.1 mt -92.56 -36.95 12.74 Favored 'General case' 0 C--N 1.324 -0.517 0 N-CA-C 112.087 0.403 . . . . 0.0 112.087 -172.992 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 75' ' ' PHE . . . . . 0.426 ' HB3' ' O ' ' A' ' 71' ' ' VAL . 21.3 t80 -90.73 -42.7 10.56 Favored 'General case' 0 C--N 1.323 -0.544 0 CA-C-N 116.362 -0.381 . . . . 0.0 110.929 -172.477 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 21.8 mm-40 63.28 24.25 14.19 Favored 'General case' 0 N--CA 1.467 0.397 0 CA-C-N 115.851 -0.613 . . . . 0.0 111.488 -179.01 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . -134.76 65.78 0.57 Allowed Glycine 0 N--CA 1.448 -0.504 0 N-CA-C 111.375 -0.69 . . . . 0.0 111.375 177.452 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -119.79 128.98 54.23 Favored 'General case' 0 C--N 1.323 -0.575 0 CA-C-O 121.296 0.569 . . . . 0.0 111.517 -176.235 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 79' ' ' ASP . . . . . . . . . . . . . 7.7 m-20 -101.12 -21.02 15.08 Favored 'General case' 0 C--N 1.321 -0.641 0 CA-C-N 115.387 -0.824 . . . . 0.0 109.987 178.45 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 80' ' ' VAL . . . . . . . . . . . . . 18.9 t . . . . . 0 C--N 1.329 -0.285 0 CA-C-N 115.567 -0.742 . . . . 0.0 110.567 -178.517 . . . . . . . . 0 0 . 1 . 015 nuclear build core ' A' A ' 3' ' ' ARG . . . . . . . . . . . . . 17.9 ptp180 . . . . . 0 C--O 1.231 0.097 0 CA-C-O 120.972 0.415 . . . . 0.0 110.495 . . . . . . . . . 0 0 . 1 . 015 nuclear build core ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 9.0 p -86.58 104.01 15.62 Favored 'General case' 0 C--N 1.322 -0.594 0 CA-C-N 115.835 -0.62 . . . . 0.0 110.6 179.647 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 5' ' ' ILE . . . . . . . . . . . . . 2.8 pp -118.04 167.44 11.26 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.667 0 CA-C-N 115.778 -0.646 . . . . 0.0 111.468 -174.809 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 6' ' ' PHE . . . . . . . . . . . . . 99.5 m-85 -93.23 101.15 13.41 Favored 'General case' 0 C--N 1.323 -0.555 0 CA-C-N 116.215 -0.448 . . . . 0.0 109.81 178.248 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 7' ' ' CYS . . . . . 0.438 ' HA ' ' O ' ' A' ' 33' ' ' GLU . 53.5 t -72.7 130.57 40.82 Favored 'General case' 0 C--N 1.324 -0.512 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.69 -178.053 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 3.6 p -64.65 -41.34 96.18 Favored 'General case' 0 C--N 1.326 -0.45 0 CA-C-N 116.088 -0.506 . . . . 0.0 112.006 -178.262 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 9' ' ' TYR . . . . . . . . . . . . . 66.1 t80 -75.48 -37.94 59.91 Favored 'General case' 0 C--N 1.324 -0.508 0 CA-C-N 116.458 -0.337 . . . . 0.0 111.102 -176.612 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 98.6 mt -84.93 -32.95 22.81 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.569 -0.287 . . . . 0.0 111.73 -177.143 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 86.0 mm-40 62.71 32.15 16.28 Favored 'General case' 0 N--CA 1.464 0.244 0 CA-C-O 121.461 0.648 . . . . 0.0 110.041 -174.156 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 27.9 mmt180 -135.52 176.37 8.74 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 115.105 -0.952 . . . . 0.0 109.627 -179.657 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 10.8 m-20 -84.75 121.6 27.92 Favored 'General case' 0 C--N 1.324 -0.531 0 N-CA-C 108.968 -0.753 . . . . 0.0 108.968 173.961 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -140.95 173.34 11.58 Favored 'General case' 0 C--N 1.318 -0.783 0 CA-C-N 116.433 -0.348 . . . . 0.0 110.296 -178.087 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 11.3 pt-20 -78.23 144.02 36.61 Favored 'General case' 0 C--N 1.323 -0.545 0 N-CA-C 110.078 -0.341 . . . . 0.0 110.078 179.601 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . -77.49 41.01 1.82 Allowed Glycine 0 C--O 1.229 -0.166 0 C-N-CA 121.183 -0.532 . . . . 0.0 112.792 179.045 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 17' ' ' GLN . . . . . . . . . . . . . 15.8 pt20 43.75 -151.94 0.03 OUTLIER 'General case' 0 CA--C 1.541 0.623 0 C-N-CA 124.766 1.227 . . . . 0.0 113.391 175.625 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 2.5 m-20 -68.77 176.49 3.0 Favored 'General case' 0 N--CA 1.465 0.303 0 CA-C-O 121.534 0.683 . . . . 0.0 112.338 -177.856 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 63.0 t80 -90.78 164.12 14.21 Favored 'General case' 0 C--N 1.324 -0.503 0 CA-C-N 115.297 -0.865 . . . . 0.0 110.198 179.77 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 15.4 mm100 -44.92 127.54 6.51 Favored 'General case' 0 N--CA 1.465 0.321 0 O-C-N 123.81 0.694 . . . . 0.0 112.109 178.026 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 3.4 mp -101.84 -69.62 0.78 Allowed 'General case' 0 C--N 1.326 -0.415 0 CA-C-N 116.011 -0.54 . . . . 0.0 109.597 178.604 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 22' ' ' TYR . . . . . 0.574 ' H ' ' HD2' ' A' ' 23' ' ' PRO . 58.6 m-85 -140.71 -44.43 0.02 OUTLIER Pre-proline 0 C--N 1.326 -0.451 0 CA-C-N 115.567 -0.742 . . . . 0.0 111.963 -178.267 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 23' ' ' PRO . . . . . 0.574 ' HD2' ' H ' ' A' ' 22' ' ' TYR . 48.1 Cg_exo -58.06 136.81 77.3 Favored 'Trans proline' 0 C--N 1.359 1.081 0 C-N-CA 121.646 1.564 . . . . 0.0 111.822 174.296 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -89.24 -111.88 1.28 Allowed Glycine 0 N--CA 1.449 -0.485 0 C-N-CA 120.916 -0.659 . . . . 0.0 113.402 -171.794 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 29.9 mm-40 -64.58 -37.1 86.39 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.803 0.335 . . . . 0.0 110.993 -175.38 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 56.6 tp -69.1 -36.13 77.21 Favored 'General case' 0 C--N 1.323 -0.573 0 CA-C-N 116.311 -0.404 . . . . 0.0 110.0 177.414 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 27' ' ' GLY . . . . . 0.493 ' HA3' ' HB2' ' A' ' 23' ' ' PRO . . . -61.71 -57.62 16.83 Favored Glycine 0 N--CA 1.448 -0.557 0 C-N-CA 120.972 -0.632 . . . . 0.0 112.15 179.073 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 17.6 ptpt -60.47 -31.13 70.16 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-O 120.829 0.347 . . . . 0.0 110.905 -178.657 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 78.7 ttt180 -62.28 -39.26 92.38 Favored 'General case' 0 C--N 1.332 -0.193 0 CA-C-N 115.837 -0.62 . . . . 0.0 110.443 178.558 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 30' ' ' ILE . . . . . . . . . . . . . 70.5 mt -79.23 -43.6 24.0 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.565 0 CA-C-N 116.303 -0.408 . . . . 0.0 110.264 179.13 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 31' ' ' TYR . . . . . 0.424 ' HE1' ' CH2' ' A' ' 39' ' ' TRP . 16.7 m-30 -65.54 -28.21 69.0 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.151 -0.477 . . . . 0.0 112.261 -173.628 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 32' ' ' ASN . . . . . . . . . . . . . 4.4 p-10 -93.23 1.36 57.1 Favored 'General case' 0 C--N 1.329 -0.322 0 C-N-CA 120.112 -0.635 . . . . 0.0 111.535 -177.82 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 33' ' ' GLU . . . . . 0.438 ' O ' ' HA ' ' A' ' 7' ' ' CYS . 45.4 mt-10 -124.1 0.96 8.53 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-O 121.436 0.636 . . . . 0.0 110.277 176.074 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 34' ' ' ILE . . . . . 0.439 HG13 ' HB3' ' A' ' 74' ' ' LEU . 9.3 mm -129.97 139.57 51.17 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.507 0 CA-C-N 115.407 -0.815 . . . . 0.0 109.804 176.597 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 9.4 t -100.46 171.08 7.96 Favored 'General case' 0 N--CA 1.442 -0.833 0 CA-C-O 121.558 0.694 . . . . 0.0 111.199 -179.501 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 19.9 ttmm -58.14 -32.58 68.29 Favored 'General case' 0 C--N 1.317 -0.815 0 CA-C-N 114.363 -1.289 . . . . 0.0 112.223 -177.204 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 5.8 p-10 -70.95 -40.21 72.13 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-O 120.844 0.354 . . . . 0.0 110.557 -177.352 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -79.29 -38.4 35.44 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.897 179.803 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 39' ' ' TRP . . . . . 0.424 ' CH2' ' HE1' ' A' ' 31' ' ' TYR . 72.2 t-105 -61.43 -49.07 78.31 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 115.879 -0.6 . . . . 0.0 110.488 179.672 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -66.81 -36.89 83.42 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.525 179.668 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 52.7 tp60 -56.3 -53.66 54.62 Favored 'General case' 0 C--O 1.233 0.204 0 CA-C-N 115.677 -0.692 . . . . 0.0 110.943 178.216 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 42' ' ' TRP . . . . . 0.555 ' HE1' ' HA ' ' A' ' 70' ' ' MET . 40.6 t-105 -79.28 -34.27 42.65 Favored 'General case' 0 N--CA 1.451 -0.401 0 C-N-CA 120.414 -0.514 . . . . 0.0 111.798 -173.294 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 43' ' ' GLN . . . . . . . . . . . . . 30.9 mt-30 -63.86 -39.99 95.5 Favored 'General case' 0 C--N 1.33 -0.278 0 C-N-CA 120.206 -0.598 . . . . 0.0 110.917 177.527 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 44' ' ' HIS . . . . . . . . . . . . . 69.7 t60 -63.04 -47.44 82.99 Favored 'General case' 0 C--N 1.324 -0.536 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.268 179.161 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 57.7 tptt -69.31 -42.63 75.14 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 115.635 -0.711 . . . . 0.0 111.078 -178.226 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 46' ' ' GLN . . . . . 0.531 ' O ' HG13 ' A' ' 50' ' ' ILE . 59.0 tp60 -61.21 -43.72 98.43 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 116.381 -0.372 . . . . 0.0 110.681 -179.505 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 29.7 m -61.32 -39.04 89.03 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.938 0.399 . . . . 0.0 110.437 179.05 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 48' ' ' MET . . . . . . . . . . . . . 52.2 tpp -68.21 -36.96 80.35 Favored 'General case' 0 C--N 1.332 -0.193 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.068 177.643 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 4.1 mp -63.33 -41.05 98.87 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.114 -0.493 . . . . 0.0 110.695 175.757 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 50' ' ' ILE . . . . . 0.531 HG13 ' O ' ' A' ' 46' ' ' GLN . 81.7 mt -62.08 -42.05 93.49 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.436 0 CA-C-O 121.064 0.459 . . . . 0.0 110.333 176.661 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 51' ' ' ASN . . . . . . . . . . . . . 26.1 t-20 -66.58 -35.83 81.16 Favored 'General case' 0 C--N 1.325 -0.488 0 CA-C-N 115.592 -0.731 . . . . 0.0 111.009 178.12 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 3.6 mm-40 -80.29 -46.99 15.24 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-N 115.868 -0.605 . . . . 0.0 112.405 -177.239 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 66.6 mttm -74.04 -22.09 59.69 Favored 'General case' 0 C--N 1.324 -0.536 0 N-CA-C 109.863 -0.421 . . . . 0.0 109.863 179.325 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 49.5 mttm 58.9 41.84 20.61 Favored 'General case' 0 CA--C 1.521 -0.153 0 CA-C-N 115.248 -0.887 . . . . 0.0 110.58 178.0 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 3.6 pp -88.73 150.76 22.81 Favored 'General case' 0 C--N 1.323 -0.545 0 CA-C-N 114.861 -1.063 . . . . 0.0 110.507 -178.624 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 56' ' ' ASN . . . . . . . . . . . . . 89.8 m-20 -112.61 135.68 53.04 Favored 'General case' 0 C--N 1.324 -0.535 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.201 -179.001 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 57' ' ' MET . . . . . . . . . . . . . 1.2 mpt? -75.82 -1.18 23.98 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 115.836 -0.62 . . . . 0.0 110.088 175.596 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 58' ' ' MET . . . . . . . . . . . . . 81.2 mtp -63.95 -30.29 71.38 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 114.845 -1.07 . . . . 0.0 109.922 175.059 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 59' ' ' ASN . . . . . . . . . . . . . 3.9 m-20 -102.26 131.37 48.87 Favored 'General case' 0 C--O 1.238 0.452 0 CA-C-N 115.491 -0.777 . . . . 0.0 109.829 177.977 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -59.71 -27.33 66.36 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 116.147 -0.478 . . . . 0.0 111.924 -175.71 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 13.2 mm-40 -59.74 -30.66 68.99 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.309 -0.405 . . . . 0.0 111.587 179.945 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 62' ' ' HIS . . . . . . . . . . . . . 95.9 m-70 -92.24 -15.1 27.95 Favored 'General case' 0 C--N 1.322 -0.628 0 C-N-CA 120.363 -0.535 . . . . 0.0 110.892 -178.408 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 63' ' ' ARG . . . . . . . . . . . . . 5.4 tpm_? -73.34 -49.67 26.11 Favored 'General case' 0 C--N 1.324 -0.512 0 N-CA-C 109.074 -0.713 . . . . 0.0 109.074 172.403 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 16.9 ptpt -64.29 -29.38 70.47 Favored 'General case' 0 C--N 1.332 -0.184 0 CA-C-N 115.823 -0.626 . . . . 0.0 110.198 176.727 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -66.31 -44.88 82.17 Favored 'General case' 0 CA--C 1.532 0.264 0 CA-C-N 116.084 -0.507 . . . . 0.0 110.052 176.339 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 5.2 tt -59.49 -45.27 92.15 Favored 'General case' 0 C--O 1.236 0.343 0 N-CA-C 109.476 -0.564 . . . . 0.0 109.476 178.249 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 67' ' ' GLU . . . . . 0.424 ' O ' HG23 ' A' ' 71' ' ' VAL . 0.5 OUTLIER -54.22 -49.98 68.19 Favored 'General case' 0 C--N 1.332 -0.168 0 CA-C-N 115.747 -0.661 . . . . 0.0 110.37 173.888 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 68' ' ' GLN . . . . . . . . . . . . . 42.9 mt-30 -55.59 -60.64 3.14 Favored 'General case' 0 C--N 1.326 -0.45 0 CA-C-N 116.019 -0.537 . . . . 0.0 112.252 -179.108 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 48.1 mt-10 -59.27 -47.23 86.13 Favored 'General case' 0 C--O 1.235 0.336 0 CA-C-O 120.981 0.42 . . . . 0.0 111.662 -173.798 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 70' ' ' MET . . . . . 0.555 ' HA ' ' HE1' ' A' ' 42' ' ' TRP . 48.2 ttm -65.72 -46.99 76.86 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-N 116.268 -0.424 . . . . 0.0 111.735 -176.104 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 71' ' ' VAL . . . . . 0.424 HG23 ' O ' ' A' ' 67' ' ' GLU . 61.6 t -69.61 -27.27 33.14 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.43 0 C-N-CA 120.918 -0.313 . . . . 0.0 110.781 -177.717 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 72' ' ' SER . . . . . 0.464 ' OG ' ' HD2' ' A' ' 78' ' ' LYS . 24.6 m -65.79 -46.14 79.77 Favored 'General case' 0 N--CA 1.465 0.281 0 CA-C-O 120.82 0.343 . . . . 0.0 111.755 177.866 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 73' ' ' PHE . . . . . . . . . . . . . 46.5 t80 -81.84 -39.3 24.16 Favored 'General case' 0 C--N 1.325 -0.475 0 CA-C-N 116.114 -0.494 . . . . 0.0 111.669 -172.403 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 74' ' ' LEU . . . . . 0.439 ' HB3' HG13 ' A' ' 34' ' ' ILE . 95.4 mt -92.89 -40.9 10.35 Favored 'General case' 0 C--N 1.322 -0.629 0 N-CA-C 112.63 0.604 . . . . 0.0 112.63 -172.65 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 75' ' ' PHE . . . . . . . . . . . . . 30.5 t80 -105.53 -42.97 5.07 Favored 'General case' 0 C--N 1.326 -0.438 0 C-N-CA 120.807 -0.357 . . . . 0.0 111.856 -170.135 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 45.1 mt-10 65.66 15.33 10.0 Favored 'General case' 0 N--CA 1.469 0.478 0 C-N-CA 123.372 0.669 . . . . 0.0 112.129 179.79 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . -97.99 24.61 31.02 Favored Glycine 0 CA--C 1.517 0.16 0 C-N-CA 120.682 -0.77 . . . . 0.0 112.354 -178.827 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 78' ' ' LYS . . . . . 0.464 ' HD2' ' OG ' ' A' ' 72' ' ' SER . 0.0 OUTLIER -125.92 144.35 50.72 Favored 'General case' 0 C--N 1.321 -0.642 0 N-CA-C 110.136 -0.32 . . . . 0.0 110.136 179.46 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 79' ' ' ASP . . . . . . . . . . . . . 11.6 p-10 -107.6 1.7 23.45 Favored 'General case' 0 C--N 1.321 -0.636 0 CA-C-N 116.25 -0.432 . . . . 0.0 111.226 -177.703 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 80' ' ' VAL . . . . . . . . . . . . . 22.0 t . . . . . 0 C--N 1.327 -0.413 0 CA-C-N 116.635 -0.257 . . . . 0.0 110.554 -178.429 . . . . . . . . 0 0 . 1 . 016 nuclear build core ' A' A ' 3' ' ' ARG . . . . . . . . . . . . . 16.6 ptm180 . . . . . 0 N--CA 1.448 -0.539 0 N-CA-C 108.12 -1.067 . . . . 0.0 108.12 . . . . . . . . . 0 0 . 1 . 016 nuclear build core ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 9.5 m -78.03 109.4 12.06 Favored 'General case' 0 C--N 1.317 -0.82 0 CA-C-N 115.777 -0.647 . . . . 0.0 110.9 -172.655 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 5' ' ' ILE . . . . . . . . . . . . . 2.6 pp -123.8 164.89 21.11 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.754 0 CA-C-N 115.457 -0.792 . . . . 0.0 110.385 -179.494 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 6' ' ' PHE . . . . . . . . . . . . . 86.2 m-85 -99.76 97.31 8.26 Favored 'General case' 0 C--N 1.32 -0.687 0 N-CA-C 109.508 -0.552 . . . . 0.0 109.508 176.28 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 7' ' ' CYS . . . . . 0.667 ' SG ' ' HB2' ' A' ' 10' ' ' LEU . 16.9 p -67.51 142.68 56.49 Favored 'General case' 0 C--N 1.322 -0.592 0 CA-C-N 115.345 -0.843 . . . . 0.0 111.573 -174.489 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 6.8 m -69.75 -27.13 64.68 Favored 'General case' 0 C--N 1.324 -0.54 0 CA-C-N 115.962 -0.563 . . . . 0.0 111.525 -177.872 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 9' ' ' TYR . . . . . . . . . . . . . 72.1 t80 -74.25 -53.22 10.22 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-N 116.517 -0.31 . . . . 0.0 111.264 -177.696 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 10' ' ' LEU . . . . . 0.667 ' HB2' ' SG ' ' A' ' 7' ' ' CYS . 89.9 mt -90.13 -18.58 25.56 Favored 'General case' 0 C--N 1.331 -0.236 0 N-CA-C 111.593 0.22 . . . . 0.0 111.593 -176.608 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 28.4 mm-40 68.52 9.15 7.12 Favored 'General case' 0 N--CA 1.469 0.513 0 C-N-CA 122.837 0.455 . . . . 0.0 111.716 179.322 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 49.2 mtt180 -131.02 -171.34 2.55 Favored 'General case' 0 C--N 1.327 -0.403 0 N-CA-C 110.455 -0.202 . . . . 0.0 110.455 -178.714 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 5.0 p-10 -65.19 136.3 56.48 Favored 'General case' 0 C--O 1.234 0.25 0 CA-C-O 121.243 0.544 . . . . 0.0 111.289 -176.178 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 14' ' ' ALA . . . . . 0.422 ' HB1' ' HB2' ' A' ' 35' ' ' SER . . . -156.98 179.36 9.37 Favored 'General case' 0 C--N 1.319 -0.737 0 CA-C-N 115.336 -0.847 . . . . 0.0 109.315 177.45 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 12.8 pt-20 -104.82 154.68 19.72 Favored 'General case' 0 C--N 1.323 -0.579 0 N-CA-C 110.198 -0.297 . . . . 0.0 110.198 -178.946 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . -61.12 134.99 48.75 Favored Glycine 0 N--CA 1.445 -0.705 0 C-N-CA 120.821 -0.704 . . . . 0.0 111.828 175.035 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 17' ' ' GLN . . . . . . . . . . . . . 16.7 tm0? -59.3 -43.0 92.64 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-O 120.918 0.389 . . . . 0.0 110.191 -178.502 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 3.7 t70 -177.18 -163.6 0.09 Allowed 'General case' 0 C--N 1.328 -0.348 0 N-CA-C 108.982 -0.747 . . . . 0.0 108.982 178.361 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -114.11 -171.95 2.0 Favored 'General case' 0 C--N 1.323 -0.585 0 N-CA-C 109.897 -0.409 . . . . 0.0 109.897 -179.213 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 15.4 mm100 -79.46 93.95 5.48 Favored 'General case' 0 C--N 1.322 -0.615 0 CA-C-O 120.98 0.419 . . . . 0.0 110.797 -179.031 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 21' ' ' LEU . . . . . 0.408 ' H ' HD12 ' A' ' 21' ' ' LEU . 0.9 OUTLIER -85.45 -56.34 3.56 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-N 115.972 -0.558 . . . . 0.0 109.989 178.487 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 22' ' ' TYR . . . . . 0.541 ' H ' ' CD ' ' A' ' 23' ' ' PRO . 98.5 m-85 -133.83 -49.63 0.03 OUTLIER Pre-proline 0 CA--C 1.537 0.453 0 CA-C-N 115.925 -0.58 . . . . 0.0 112.199 -177.155 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 23' ' ' PRO . . . . . 0.541 ' CD ' ' H ' ' A' ' 22' ' ' TYR . 22.9 Cg_exo -65.65 165.1 24.13 Favored 'Trans proline' 0 C--N 1.359 1.101 0 C-N-CA 122.002 1.801 . . . . 0.0 112.356 -178.299 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -112.02 -107.37 2.91 Favored Glycine 0 N--CA 1.448 -0.551 0 C-N-CA 120.77 -0.729 . . . . 0.0 112.898 -177.07 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 25' ' ' GLU . . . . . 0.438 ' HA ' ' HE2' ' A' ' 28' ' ' LYS . 16.7 pt-20 -61.1 -42.92 99.4 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.684 0.278 . . . . 0.0 111.65 -174.773 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 58.1 tp -70.45 -32.95 70.72 Favored 'General case' 0 C--N 1.326 -0.451 0 N-CA-C 109.535 -0.543 . . . . 0.0 109.535 179.376 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 27' ' ' GLY . . . . . 0.429 ' HA3' ' HB2' ' A' ' 23' ' ' PRO . . . -59.83 -58.87 11.96 Favored Glycine 0 N--CA 1.445 -0.754 0 CA-C-N 115.485 -0.78 . . . . 0.0 112.099 179.644 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 28' ' ' LYS . . . . . 0.438 ' HE2' ' HA ' ' A' ' 25' ' ' GLU . 61.5 pttt -60.81 -37.97 83.81 Favored 'General case' 0 C--N 1.326 -0.451 0 CA-C-O 120.391 0.138 . . . . 0.0 110.709 -177.084 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 75.4 ttt180 -56.35 -49.28 74.84 Favored 'General case' 0 C--O 1.226 -0.176 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.341 179.166 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 30' ' ' ILE . . . . . 0.434 ' O ' ' HB ' ' A' ' 34' ' ' ILE . 84.0 mt -73.14 -45.79 52.76 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.589 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.292 -178.339 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 31' ' ' TYR . . . . . . . . . . . . . 21.0 m-85 -63.59 -26.23 68.59 Favored 'General case' 0 C--N 1.325 -0.493 0 N-CA-C 112.734 0.642 . . . . 0.0 112.734 -173.732 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 32' ' ' ASN . . . . . . . . . . . . . 3.2 p-10 -103.73 0.25 30.27 Favored 'General case' 0 N--CA 1.465 0.314 0 C-N-CA 120.231 -0.588 . . . . 0.0 111.978 179.562 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 48.9 mt-10 -120.41 -4.11 9.9 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 121.072 0.463 . . . . 0.0 110.897 178.088 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 34' ' ' ILE . . . . . 0.441 ' HA ' HD13 ' A' ' 34' ' ' ILE . 4.7 mm -129.45 137.5 56.73 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.528 0 CA-C-O 121.187 0.518 . . . . 0.0 110.827 -179.177 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 35' ' ' SER . . . . . 0.422 ' HB2' ' HB1' ' A' ' 14' ' ' ALA . 47.2 t -94.57 169.98 9.8 Favored 'General case' 0 C--N 1.322 -0.607 0 CA-C-N 115.304 -0.862 . . . . 0.0 110.733 -178.418 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 33.6 mmtp -53.55 -44.28 69.11 Favored 'General case' 0 C--N 1.324 -0.519 0 CA-C-N 115.025 -0.989 . . . . 0.0 110.919 178.706 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 37' ' ' ASP . . . . . 0.447 ' O ' ' HG3' ' A' ' 41' ' ' GLN . 3.2 p-10 -68.0 -48.63 65.23 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-N 115.488 -0.778 . . . . 0.0 111.471 -176.607 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -59.65 -41.46 90.6 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-O 120.711 0.291 . . . . 0.0 111.114 -179.903 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 39' ' ' TRP . . . . . . . . . . . . . 57.6 t-105 -66.5 -42.8 86.83 Favored 'General case' 0 C--O 1.233 0.212 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.205 177.762 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -59.47 -46.76 87.87 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 115.823 -0.626 . . . . 0.0 110.738 179.646 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 41' ' ' GLN . . . . . 0.447 ' HG3' ' O ' ' A' ' 37' ' ' ASP . 77.8 mt-30 -57.32 -45.65 84.02 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 115.972 -0.558 . . . . 0.0 110.63 178.483 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 42' ' ' TRP . . . . . . . . . . . . . 8.2 t-105 -62.52 -59.06 5.48 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 115.764 -0.653 . . . . 0.0 111.603 -176.897 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 43' ' ' GLN . . . . . . . . . . . . . 4.4 mt-30 -65.24 -29.97 70.81 Favored 'General case' 0 C--N 1.327 -0.372 0 C-N-CA 120.789 -0.364 . . . . 0.0 111.614 -176.343 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 44' ' ' HIS . . . . . . . . . . . . . 20.4 t-80 -67.16 -47.78 69.97 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-O 120.916 0.388 . . . . 0.0 109.997 178.133 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 17.5 tppt? -61.74 -44.79 96.22 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 115.646 -0.706 . . . . 0.0 110.13 176.111 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 46' ' ' GLN . . . . . . . . . . . . . 33.9 tt0 -57.94 -48.6 79.44 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 115.476 -0.784 . . . . 0.0 111.161 179.362 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 99.9 m -53.18 -44.91 68.28 Favored 'General case' 0 C--O 1.236 0.356 0 CA-C-O 120.866 0.365 . . . . 0.0 111.086 178.437 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 48' ' ' MET . . . . . . . . . . . . . 43.1 tpp -63.25 -50.54 69.77 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.043 -0.526 . . . . 0.0 111.049 -179.785 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 10.2 mp -65.5 -36.91 85.25 Favored 'General case' 0 C--N 1.326 -0.419 0 N-CA-C 112.042 0.386 . . . . 0.0 112.042 -176.933 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 50' ' ' ILE . . . . . . . . . . . . . 1.5 mp -64.91 -35.62 75.75 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.4 0 CA-C-N 116.629 -0.26 . . . . 0.0 111.178 -179.797 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 51' ' ' ASN . . . . . . . . . . . . . 38.9 m-80 -86.3 -23.55 26.25 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-O 120.865 0.364 . . . . 0.0 110.834 179.781 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 38.0 tt0 -76.59 -56.43 4.62 Favored 'General case' 0 C--N 1.325 -0.482 0 CA-C-N 115.882 -0.599 . . . . 0.0 110.843 178.548 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 66.7 mttm -83.18 -7.28 59.64 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 115.766 -0.652 . . . . 0.0 111.005 -175.023 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 44.3 mtmt 60.99 67.38 0.81 Allowed 'General case' 0 N--CA 1.465 0.28 0 CA-C-N 115.825 -0.625 . . . . 0.0 110.682 179.858 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 54.4 mt -103.11 127.53 50.35 Favored 'General case' 0 C--N 1.324 -0.506 0 CA-C-N 115.653 -0.703 . . . . 0.0 109.991 -178.579 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 56' ' ' ASN . . . . . . . . . . . . . 20.2 m120 -108.84 139.71 43.29 Favored 'General case' 0 C--N 1.322 -0.619 0 CA-C-N 116.474 -0.33 . . . . 0.0 110.654 178.111 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 57' ' ' MET . . . . . . . . . . . . . 1.1 mpt? -84.65 10.61 10.73 Favored 'General case' 0 C--N 1.324 -0.527 0 CA-C-N 115.936 -0.575 . . . . 0.0 110.461 179.649 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 58' ' ' MET . . . . . . . . . . . . . 60.9 mtt -71.51 -28.85 64.18 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-N 115.577 -0.738 . . . . 0.0 109.527 175.101 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 59' ' ' ASN . . . . . . . . . . . . . 17.6 m120 -101.38 126.6 48.17 Favored 'General case' 0 C--N 1.326 -0.439 0 CA-C-N 115.569 -0.741 . . . . 0.0 109.963 178.06 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -64.39 -19.26 65.38 Favored 'General case' 0 C--N 1.326 -0.449 0 CA-C-O 120.965 0.412 . . . . 0.0 110.892 179.994 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 38.2 mt-10 -53.53 -54.03 43.06 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 115.728 -0.669 . . . . 0.0 110.609 176.672 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 62' ' ' HIS . . . . . . . . . . . . . 98.0 m-70 -80.19 -17.64 51.83 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.028 -0.533 . . . . 0.0 110.47 -176.971 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 63' ' ' ARG . . . . . 0.429 ' O ' ' HG ' ' A' ' 66' ' ' LEU . 29.8 tpt180 -65.16 -54.72 25.36 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.019 -0.537 . . . . 0.0 110.375 176.935 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 64' ' ' LYS . . . . . 0.436 ' O ' ' HG3' ' A' ' 68' ' ' GLN . 23.6 pttm -73.91 -22.78 59.57 Favored 'General case' 0 C--N 1.329 -0.297 0 C-N-CA 120.268 -0.573 . . . . 0.0 110.32 179.881 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 65' ' ' LEU . . . . . 0.405 HD22 ' HA ' ' A' ' 65' ' ' LEU . 1.5 tm? -61.83 -48.73 79.25 Favored 'General case' 0 C--N 1.331 -0.204 0 N-CA-C 109.611 -0.515 . . . . 0.0 109.611 176.416 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 66' ' ' LEU . . . . . 0.429 ' HG ' ' O ' ' A' ' 63' ' ' ARG . 2.1 pp -73.8 -21.31 60.19 Favored 'General case' 0 C--N 1.33 -0.242 0 C-N-CA 120.919 -0.313 . . . . 0.0 110.468 -179.356 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 35.6 tt0 -65.75 -45.77 81.35 Favored 'General case' 0 C--O 1.234 0.265 0 N-CA-C 109.105 -0.702 . . . . 0.0 109.105 174.115 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 68' ' ' GLN . . . . . 0.436 ' HG3' ' O ' ' A' ' 64' ' ' LYS . 49.9 mt-30 -56.34 -48.9 75.82 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 115.377 -0.829 . . . . 0.0 110.2 174.704 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 6.1 mm-40 -59.63 -42.2 92.19 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 115.853 -0.612 . . . . 0.0 111.207 178.922 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 70' ' ' MET . . . . . . . . . . . . . 52.3 ttm -58.75 -50.15 75.0 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 115.858 -0.61 . . . . 0.0 110.653 -178.415 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 71' ' ' VAL . . . . . . . . . . . . . 58.8 t -61.06 -37.96 78.51 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.368 0 CA-C-N 115.952 -0.567 . . . . 0.0 110.372 178.322 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 72' ' ' SER . . . . . 0.469 ' OG ' ' HE3' ' A' ' 78' ' ' LYS . 20.7 m -70.23 -44.5 68.43 Favored 'General case' 0 C--N 1.325 -0.464 0 CA-C-N 116.039 -0.528 . . . . 0.0 111.94 -176.083 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 73' ' ' PHE . . . . . . . . . . . . . 37.4 t80 -75.77 -36.71 59.75 Favored 'General case' 0 C--N 1.322 -0.628 0 CA-C-O 120.824 0.345 . . . . 0.0 111.24 -175.535 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 74' ' ' LEU . . . . . . . . . . . . . 69.2 mt -87.75 -43.31 11.98 Favored 'General case' 0 C--N 1.325 -0.462 0 N-CA-C 112.325 0.491 . . . . 0.0 112.325 -173.686 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 75' ' ' PHE . . . . . . . . . . . . . 87.1 t80 -110.96 -44.03 3.67 Favored 'General case' 0 C--N 1.325 -0.476 0 CA-C-O 120.788 0.328 . . . . 0.0 111.131 -175.893 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 6.6 tp10 53.03 77.6 0.16 Allowed 'General case' 0 C--N 1.325 -0.499 0 CA-C-N 115.212 -0.904 . . . . 0.0 111.15 -174.141 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . -151.08 31.76 0.97 Allowed Glycine 0 N--CA 1.443 -0.886 0 N-CA-C 109.889 -1.284 . . . . 0.0 109.889 175.173 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 78' ' ' LYS . . . . . 0.469 ' HE3' ' OG ' ' A' ' 72' ' ' SER . 2.6 pptp? -103.9 156.76 17.58 Favored 'General case' 0 C--N 1.325 -0.476 0 CA-C-N 114.983 -0.608 . . . . 0.0 111.164 -175.071 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 79' ' ' ASP . . . . . . . . . . . . . 5.7 p-10 -129.75 13.89 5.88 Favored 'General case' 0 C--N 1.323 -0.575 0 CA-C-N 115.876 -0.602 . . . . 0.0 109.582 171.887 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 80' ' ' VAL . . . . . . . . . . . . . 14.1 t . . . . . 0 C--O 1.233 0.199 0 CA-C-N 115.547 -0.751 . . . . 0.0 109.462 179.02 . . . . . . . . 0 0 . 1 . 017 nuclear build core ' A' A ' 3' ' ' ARG . . . . . 0.479 ' HG2' HG23 ' A' ' 5' ' ' ILE . 63.8 ttt180 . . . . . 0 N--CA 1.452 -0.339 0 CA-C-O 120.444 0.164 . . . . 0.0 110.621 . . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 15.1 p -72.0 112.23 7.91 Favored 'General case' 0 C--O 1.237 0.415 0 CA-C-O 120.849 0.357 . . . . 0.0 110.46 176.192 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 5' ' ' ILE . . . . . 0.479 HG23 ' HG2' ' A' ' 3' ' ' ARG . 2.3 pp -134.55 170.04 20.38 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.573 0 CA-C-N 116.075 -0.511 . . . . 0.0 111.385 -178.267 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 6' ' ' PHE . . . . . . . . . . . . . 88.2 m-85 -101.8 104.19 14.95 Favored 'General case' 0 C--N 1.32 -0.702 0 N-CA-C 109.283 -0.636 . . . . 0.0 109.283 174.465 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 7' ' ' CYS . . . . . 0.429 ' O ' ' HA ' ' A' ' 11' ' ' GLN . 41.9 t -60.18 145.84 45.57 Favored 'General case' 0 C--N 1.324 -0.52 0 CA-C-N 115.742 -0.663 . . . . 0.0 111.168 -176.366 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 1.0 OUTLIER -72.75 -40.2 66.23 Favored 'General case' 0 C--N 1.324 -0.513 0 CA-C-O 120.881 0.372 . . . . 0.0 111.948 179.024 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 9' ' ' TYR . . . . . . . . . . . . . 89.8 t80 -85.24 -44.08 13.2 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.365 -0.38 . . . . 0.0 111.105 -178.302 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 10' ' ' LEU . . . . . 0.428 ' HB2' ' HB3' ' A' ' 7' ' ' CYS . 52.0 mt -80.19 -35.86 35.79 Favored 'General case' 0 C--N 1.329 -0.322 0 C-N-CA 120.853 -0.339 . . . . 0.0 110.436 -178.947 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 11' ' ' GLN . . . . . 0.429 ' HA ' ' O ' ' A' ' 7' ' ' CYS . 74.5 mt-30 52.8 44.66 30.01 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-O 122.09 0.948 . . . . 0.0 111.576 -177.797 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 14.5 ptt180 -133.12 174.61 10.19 Favored 'General case' 0 C--N 1.321 -0.645 0 CA-C-N 114.155 -1.384 . . . . 0.0 108.171 174.623 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 18.7 t70 -69.11 109.88 4.24 Favored 'General case' 0 C--N 1.322 -0.601 0 N-CA-C 108.553 -0.906 . . . . 0.0 108.553 172.214 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -129.34 179.51 5.74 Favored 'General case' 0 C--N 1.318 -0.794 0 CA-C-O 121.266 0.555 . . . . 0.0 111.679 -173.21 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 6.8 tp10 -101.73 131.94 47.72 Favored 'General case' 0 N--CA 1.445 -0.716 0 CA-C-N 115.19 -0.913 . . . . 0.0 110.014 -179.699 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . -58.92 123.57 33.93 Favored Glycine 0 N--CA 1.444 -0.793 0 N-CA-C 110.36 -1.096 . . . . 0.0 110.36 171.9 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 17' ' ' GLN . . . . . 0.473 ' O ' ' HE3' ' A' ' 36' ' ' LYS . 1.3 tt0 -48.41 -60.59 2.55 Favored 'General case' 0 C--N 1.331 -0.196 0 CA-C-O 120.676 0.274 . . . . 0.0 111.289 -173.231 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 2.0 t70 -170.29 -163.38 0.34 Allowed 'General case' 0 C--N 1.325 -0.499 0 N-CA-C 108.967 -0.753 . . . . 0.0 108.967 178.23 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 94.7 m-85 -118.13 -163.27 0.93 Allowed 'General case' 0 C--N 1.321 -0.646 0 CA-C-O 120.717 0.294 . . . . 0.0 110.895 -178.111 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 15.7 mm100 -76.77 92.61 3.59 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-O 121.085 0.469 . . . . 0.0 110.979 -178.3 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -107.05 -32.28 7.92 Favored 'General case' 0 C--N 1.321 -0.663 0 CA-C-N 115.639 -0.71 . . . . 0.0 112.081 178.97 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 22' ' ' TYR . . . . . 0.468 ' H ' ' CD ' ' A' ' 23' ' ' PRO . 64.4 m-85 -146.52 -48.85 0.02 OUTLIER Pre-proline 0 CA--C 1.538 0.509 0 N-CA-C 113.175 0.806 . . . . 0.0 113.175 -176.295 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 23' ' ' PRO . . . . . 0.468 ' CD ' ' H ' ' A' ' 22' ' ' TYR . 11.1 Cg_exo -72.52 173.95 12.43 Favored 'Trans proline' 0 C--N 1.354 0.841 0 C-N-CA 121.711 1.607 . . . . 0.0 113.099 -178.137 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -89.87 -147.82 17.93 Favored Glycine 0 N--CA 1.45 -0.416 0 CA-C-N 115.739 -0.664 . . . . 0.0 111.765 179.704 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 39.0 tt0 -54.61 -42.28 70.99 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-O 120.609 0.242 . . . . 0.0 111.408 -178.52 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 26' ' ' LEU . . . . . 0.47 HD23 ' HD3' ' A' ' 29' ' ' ARG . 87.1 mt -60.25 -24.32 64.79 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.343 -0.39 . . . . 0.0 111.101 -179.614 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 27' ' ' GLY . . . . . 0.405 ' HA3' ' HB2' ' A' ' 23' ' ' PRO . . . -59.49 -60.38 8.88 Favored Glycine 0 N--CA 1.443 -0.876 0 C-N-CA 120.918 -0.658 . . . . 0.0 111.663 176.98 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 22.6 pttp -74.22 -24.72 59.37 Favored 'General case' 0 C--N 1.326 -0.424 0 O-C-N 122.7 -0.294 . . . . 0.0 110.757 -177.01 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 29' ' ' ARG . . . . . 0.47 ' HD3' HD23 ' A' ' 26' ' ' LEU . 75.0 ttt180 -66.77 -23.24 66.05 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-O 121.157 0.503 . . . . 0.0 110.279 176.908 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 30' ' ' ILE . . . . . . . . . . . . . 95.7 mt -96.92 -47.57 12.68 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.557 0 CA-C-N 116.244 -0.435 . . . . 0.0 111.291 174.175 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 31' ' ' TYR . . . . . . . . . . . . . 12.5 m-30 -65.23 -14.24 60.19 Favored 'General case' 0 N--CA 1.47 0.555 0 N-CA-C 112.541 0.571 . . . . 0.0 112.541 -173.394 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 32' ' ' ASN . . . . . . . . . . . . . 36.1 p-10 -82.9 -21.03 34.34 Favored 'General case' 0 C--N 1.323 -0.58 0 O-C-N 122.351 -0.218 . . . . 0.0 111.24 -178.494 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 33' ' ' GLU . . . . . 0.424 ' O ' ' HA ' ' A' ' 7' ' ' CYS . 46.1 mt-10 -131.82 16.35 4.76 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 120.923 0.392 . . . . 0.0 111.331 -179.314 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 34' ' ' ILE . . . . . 0.439 HD13 ' HA ' ' A' ' 34' ' ' ILE . 9.2 mm -126.29 131.26 71.7 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 CA-C-O 121.175 0.512 . . . . 0.0 110.513 175.92 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 33.9 t -90.38 163.13 14.81 Favored 'General case' 0 C--N 1.323 -0.57 0 CA-C-N 115.549 -0.751 . . . . 0.0 110.142 177.953 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 36' ' ' LYS . . . . . 0.473 ' HE3' ' O ' ' A' ' 17' ' ' GLN . 34.2 mmtp -51.07 -36.19 38.79 Favored 'General case' 0 C--N 1.326 -0.449 0 CA-C-N 115.546 -0.752 . . . . 0.0 110.657 174.946 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 37' ' ' ASP . . . . . 0.625 ' O ' ' HG3' ' A' ' 41' ' ' GLN . 9.4 m-20 -56.46 -62.92 1.39 Allowed 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 115.411 -0.813 . . . . 0.0 110.778 -179.596 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -62.1 -35.89 80.07 Favored 'General case' 0 C--N 1.331 -0.2 0 CA-C-N 115.696 -0.683 . . . . 0.0 111.385 -177.047 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 39' ' ' TRP . . . . . . . . . . . . . 73.8 t-105 -62.63 -43.56 98.49 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.506 177.822 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -67.3 -41.67 84.98 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.064 -0.516 . . . . 0.0 110.788 179.44 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 41' ' ' GLN . . . . . 0.625 ' HG3' ' O ' ' A' ' 37' ' ' ASP . 89.1 mt-30 -57.46 -44.95 85.21 Favored 'General case' 0 C--O 1.235 0.297 0 CA-C-N 115.947 -0.57 . . . . 0.0 110.181 177.671 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 42' ' ' TRP . . . . . 0.464 ' CZ3' ' HE2' ' A' ' 45' ' ' LYS . 22.7 t-105 -68.82 -49.21 60.36 Favored 'General case' 0 N--CA 1.444 -0.735 0 CA-C-N 115.533 -0.758 . . . . 0.0 111.47 -175.815 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 43' ' ' GLN . . . . . . . . . . . . . 58.8 mt-30 -60.54 -35.64 76.5 Favored 'General case' 0 C--N 1.328 -0.327 0 C-N-CA 120.986 -0.286 . . . . 0.0 110.556 179.943 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 44' ' ' HIS . . . . . . . . . . . . . 65.8 t60 -60.94 -50.87 71.67 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-O 120.796 0.331 . . . . 0.0 110.438 177.577 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 45' ' ' LYS . . . . . 0.5 ' HZ2' HD12 ' A' ' 49' ' ' LEU . 0.3 OUTLIER -63.44 -49.42 73.76 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.273 -0.421 . . . . 0.0 110.374 -179.153 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 46' ' ' GLN . . . . . 0.44 ' O ' HG13 ' A' ' 50' ' ' ILE . 42.3 tp60 -64.26 -47.9 77.79 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.392 -0.367 . . . . 0.0 111.382 -173.695 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 62.6 m -59.76 -33.24 71.42 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.715 -179.597 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 48' ' ' MET . . . . . . . . . . . . . 53.7 tpp -59.69 -50.45 73.8 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.28 -0.418 . . . . 0.0 110.632 176.656 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 49' ' ' LEU . . . . . 0.5 HD12 ' HZ2' ' A' ' 45' ' ' LYS . 45.8 mt -65.21 -37.74 88.24 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-O 120.885 0.374 . . . . 0.0 110.413 -177.954 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 50' ' ' ILE . . . . . 0.44 HG13 ' O ' ' A' ' 46' ' ' GLN . 73.2 mt -59.29 -38.16 73.12 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.359 0 CA-C-N 115.8 -0.637 . . . . 0.0 110.934 178.158 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 51' ' ' ASN . . . . . . . . . . . . . 38.4 m-80 -81.23 -34.77 31.96 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-N 116.502 -0.317 . . . . 0.0 111.371 -179.825 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 34.1 mt-10 -66.06 -44.34 84.82 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.731 0.3 . . . . 0.0 111.242 178.486 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 67.0 mttm -86.68 -18.51 31.09 Favored 'General case' 0 C--N 1.326 -0.454 0 CA-C-N 116.378 -0.374 . . . . 0.0 110.961 -179.072 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 97.1 mttt 55.65 63.74 1.97 Allowed 'General case' 0 C--O 1.234 0.274 0 CA-C-N 115.679 -0.692 . . . . 0.0 110.339 -177.672 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 55' ' ' LEU . . . . . 0.54 ' O ' HD12 ' A' ' 55' ' ' LEU . 3.0 pp -112.95 135.25 53.92 Favored 'General case' 0 C--N 1.323 -0.552 0 CA-C-N 115.603 -0.726 . . . . 0.0 111.493 -176.081 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 56' ' ' ASN . . . . . . . . . . . . . 33.3 t-20 -95.88 127.6 42.03 Favored 'General case' 0 C--N 1.323 -0.566 0 CA-C-N 115.336 -0.847 . . . . 0.0 108.847 176.897 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 57' ' ' MET . . . . . . . . . . . . . 22.0 mmt -75.9 40.43 0.2 Allowed 'General case' 0 N--CA 1.466 0.36 0 N-CA-C 112.566 0.58 . . . . 0.0 112.566 -177.294 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 58' ' ' MET . . . . . 0.421 ' HG3' ' OD1' ' A' ' 59' ' ' ASN . 16.9 ptp -98.81 -6.38 29.34 Favored 'General case' 0 C--N 1.323 -0.55 0 N-CA-C 109.334 -0.617 . . . . 0.0 109.334 174.347 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 59' ' ' ASN . . . . . 0.421 ' OD1' ' HG3' ' A' ' 58' ' ' MET . 6.1 m-20 -110.9 133.84 53.04 Favored 'General case' 0 C--N 1.324 -0.505 0 CA-C-N 115.012 -0.994 . . . . 0.0 110.302 -177.86 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -62.02 -32.39 72.87 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 115.588 -0.733 . . . . 0.0 112.808 -171.662 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 26.0 mm-40 -58.39 -44.58 88.99 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-O 120.633 0.254 . . . . 0.0 111.365 -177.881 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 62' ' ' HIS . . . . . . . . . . . . . 93.5 m-70 -74.72 -32.36 62.12 Favored 'General case' 0 C--N 1.325 -0.482 0 CA-C-O 120.908 0.385 . . . . 0.0 109.998 -178.364 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 63' ' ' ARG . . . . . . . . . . . . . 29.9 ttm180 -59.93 -52.59 64.76 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 115.517 -0.765 . . . . 0.0 111.108 -178.821 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 15.7 pttm -71.55 -30.19 65.59 Favored 'General case' 0 C--N 1.329 -0.314 0 C-N-CA 120.783 -0.367 . . . . 0.0 110.627 -178.689 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 7.1 tt -62.31 -45.92 91.06 Favored 'General case' 0 C--N 1.333 -0.146 0 N-CA-C 109.551 -0.537 . . . . 0.0 109.551 179.373 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 9.8 tt -61.87 -43.63 98.47 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.061 -0.518 . . . . 0.0 110.204 177.353 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 33.1 tt0 -64.52 -40.36 95.48 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-O 120.686 0.279 . . . . 0.0 110.677 -177.353 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 68' ' ' GLN . . . . . . . . . . . . . 95.8 mt-30 -56.42 -49.58 74.14 Favored 'General case' 0 C--O 1.235 0.305 0 CA-C-N 116.357 -0.383 . . . . 0.0 110.453 176.35 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 69' ' ' GLU . . . . . 0.459 ' HB3' ' CH2' ' A' ' 42' ' ' TRP . 46.6 mt-10 -63.13 -44.24 96.12 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 121.332 0.587 . . . . 0.0 110.636 178.644 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 70' ' ' MET . . . . . . . . . . . . . 22.3 ttt -58.4 -48.44 80.66 Favored 'General case' 0 C--N 1.325 -0.457 0 CA-C-N 115.419 -0.81 . . . . 0.0 111.334 -174.667 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 71' ' ' VAL . . . . . 0.46 ' O ' ' HB3' ' A' ' 75' ' ' PHE . 65.9 t -68.01 -38.06 79.28 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.377 0 CA-C-N 116.077 -0.51 . . . . 0.0 111.306 -178.988 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 13.6 p -75.62 -18.7 59.61 Favored 'General case' 0 C--N 1.324 -0.536 0 CA-C-O 120.82 0.343 . . . . 0.0 111.768 -175.65 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 73' ' ' PHE . . . . . . . . . . . . . 61.7 t80 -99.5 -56.21 2.46 Favored 'General case' 0 C--N 1.325 -0.481 0 CA-C-O 120.748 0.309 . . . . 0.0 111.377 -179.834 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 74' ' ' LEU . . . . . . . . . . . . . 92.9 mt -72.19 -34.85 68.73 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.447 -0.342 . . . . 0.0 111.454 -174.63 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 75' ' ' PHE . . . . . 0.46 ' HB3' ' O ' ' A' ' 71' ' ' VAL . 74.2 t80 -98.12 -43.5 7.0 Favored 'General case' 0 C--N 1.326 -0.426 0 C-N-CA 120.97 -0.292 . . . . 0.0 110.722 -179.478 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 23.4 mt-10 61.89 97.51 0.03 OUTLIER 'General case' 0 N--CA 1.463 0.223 0 O-C-N 123.909 0.755 . . . . 0.0 111.103 -176.126 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . 140.51 52.01 0.05 OUTLIER Glycine 0 N--CA 1.447 -0.613 0 C-N-CA 120.23 -0.986 . . . . 0.0 112.864 178.496 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 78' ' ' LYS . . . . . 0.576 ' HD3' ' H ' ' A' ' 80' ' ' VAL . 0.0 OUTLIER -119.97 164.65 15.77 Favored 'General case' 0 C--N 1.326 -0.455 0 N-CA-C 109.876 -0.416 . . . . 0.0 109.876 174.462 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 79' ' ' ASP . . . . . . . . . . . . . 7.4 p-10 -98.21 6.49 47.4 Favored 'General case' 0 C--N 1.326 -0.415 0 N-CA-C 112.627 0.603 . . . . 0.0 112.627 -171.827 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 80' ' ' VAL . . . . . 0.576 ' H ' ' HD3' ' A' ' 78' ' ' LYS . 61.3 t . . . . . 0 C--N 1.321 -0.664 0 C-N-CA 120.962 -0.295 . . . . 0.0 111.097 -177.649 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 3' ' ' ARG . . . . . . . . . . . . . 6.3 ptm180 . . . . . 0 N--CA 1.451 -0.384 0 CA-C-O 121.316 0.579 . . . . 0.0 111.139 . . . . . . . . . 0 0 . 1 . 018 nuclear build core ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 19.6 m -95.18 121.3 36.68 Favored 'General case' 0 C--N 1.322 -0.615 0 N-CA-C 109.198 -0.667 . . . . 0.0 109.198 174.46 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 5' ' ' ILE . . . . . . . . . . . . . 2.7 pp -121.14 169.65 12.18 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.637 0 CA-C-O 121.105 0.478 . . . . 0.0 111.596 -173.062 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 6' ' ' PHE . . . . . . . . . . . . . 73.2 t80 -93.12 102.26 14.57 Favored 'General case' 0 N--CA 1.446 -0.644 0 N-CA-C 108.74 -0.837 . . . . 0.0 108.74 175.371 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 7' ' ' CYS . . . . . 0.43 ' HA ' ' O ' ' A' ' 33' ' ' GLU . 50.8 t -70.54 131.36 43.87 Favored 'General case' 0 C--N 1.325 -0.472 0 CA-C-N 116.284 -0.417 . . . . 0.0 110.517 -176.321 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 9.3 p -63.36 -46.99 83.97 Favored 'General case' 0 C--N 1.321 -0.64 0 CA-C-N 115.878 -0.601 . . . . 0.0 111.624 -177.822 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 9' ' ' TYR . . . . . . . . . . . . . 87.6 t80 -69.63 -39.57 77.06 Favored 'General case' 0 C--N 1.326 -0.44 0 CA-C-N 116.341 -0.39 . . . . 0.0 111.55 -178.232 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 10' ' ' LEU . . . . . 0.416 ' HB2' ' HB3' ' A' ' 7' ' ' CYS . 99.0 mt -82.45 -27.97 31.57 Favored 'General case' 0 C--N 1.328 -0.338 0 C-N-CA 121.02 -0.272 . . . . 0.0 111.714 -175.808 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 31.9 mm-40 60.88 32.24 20.03 Favored 'General case' 0 N--CA 1.464 0.244 0 CA-C-O 121.234 0.54 . . . . 0.0 110.414 -177.239 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 60.5 mtm180 -151.38 174.64 13.1 Favored 'General case' 0 C--N 1.326 -0.443 0 CA-C-N 115.557 -0.747 . . . . 0.0 110.408 -175.678 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 8.6 m-20 -63.36 130.05 42.85 Favored 'General case' 0 CA--C 1.514 -0.421 0 O-C-N 123.476 0.485 . . . . 0.0 109.962 177.757 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 14' ' ' ALA . . . . . 0.569 ' HB1' ' HB2' ' A' ' 35' ' ' SER . . . -144.44 169.25 18.29 Favored 'General case' 0 C--N 1.315 -0.892 0 CA-C-O 120.858 0.361 . . . . 0.0 111.173 -178.643 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 35.9 tt0 -93.87 121.75 35.65 Favored 'General case' 0 C--N 1.321 -0.637 0 CA-C-N 116.127 -0.488 . . . . 0.0 109.934 -178.151 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . -61.59 143.87 48.73 Favored Glycine 0 N--CA 1.443 -0.838 0 N-CA-C 111.403 -0.679 . . . . 0.0 111.403 178.279 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 17' ' ' GLN . . . . . . . . . . . . . 18.0 mt-30 -76.09 -161.38 0.17 Allowed 'General case' 0 C--N 1.322 -0.594 0 CA-C-O 121.205 0.526 . . . . 0.0 111.423 -176.323 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 18' ' ' ASP . . . . . 0.476 ' HB2' HD11 ' A' ' 21' ' ' LEU . 14.1 m-20 -73.78 -168.62 0.61 Allowed 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 115.805 -0.634 . . . . 0.0 111.251 -179.103 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 29.0 t80 -100.37 -92.16 0.29 Allowed 'General case' 0 C--N 1.325 -0.461 0 CA-C-N 116.396 -0.366 . . . . 0.0 111.191 -173.209 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 20' ' ' GLN . . . . . 0.489 ' NE2' ' HD3' ' A' ' 28' ' ' LYS . 19.2 mm-40 -134.06 108.55 8.41 Favored 'General case' 0 C--N 1.324 -0.527 0 N-CA-C 108.92 -0.77 . . . . 0.0 108.92 179.7 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 21' ' ' LEU . . . . . 0.476 HD11 ' HB2' ' A' ' 18' ' ' ASP . 3.2 mp -104.02 -73.32 0.67 Allowed 'General case' 0 C--N 1.32 -0.712 0 CA-C-O 121.081 0.467 . . . . 0.0 110.185 -174.473 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 22' ' ' TYR . . . . . 0.569 ' H ' ' CD ' ' A' ' 23' ' ' PRO . 41.7 p90 -118.54 -31.58 0.07 OUTLIER Pre-proline 0 CA--C 1.544 0.746 0 CA-C-N 115.711 -0.677 . . . . 0.0 112.472 176.571 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 23' ' ' PRO . . . . . 0.569 ' CD ' ' H ' ' A' ' 22' ' ' TYR . 86.6 Cg_endo -88.86 176.14 3.4 Favored 'Trans proline' 0 C--N 1.362 1.262 0 CA-C-N 120.791 1.318 . . . . 0.0 111.885 174.895 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -112.42 -121.39 3.91 Favored Glycine 0 N--CA 1.444 -0.783 0 C-N-CA 120.707 -0.758 . . . . 0.0 112.285 -178.414 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 26.9 mm-40 -63.46 -44.12 95.37 Favored 'General case' 0 C--N 1.326 -0.414 0 N-CA-C 112.046 0.388 . . . . 0.0 112.046 -175.738 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 63.6 tp -64.56 -39.2 93.32 Favored 'General case' 0 C--N 1.325 -0.476 0 CA-C-O 121.163 0.506 . . . . 0.0 109.889 -178.819 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . -64.81 -48.29 73.65 Favored Glycine 0 N--CA 1.448 -0.541 0 C-N-CA 120.598 -0.81 . . . . 0.0 111.758 177.545 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 28' ' ' LYS . . . . . 0.489 ' HD3' ' NE2' ' A' ' 20' ' ' GLN . 6.5 ttpm? -61.59 -34.53 75.79 Favored 'General case' 0 C--O 1.234 0.272 0 CA-C-O 120.947 0.404 . . . . 0.0 110.408 179.493 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 29' ' ' ARG . . . . . 0.478 ' O ' ' HG2' ' A' ' 33' ' ' GLU . 72.3 ttt180 -61.14 -37.22 82.07 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 115.782 -0.644 . . . . 0.0 110.647 178.502 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 30' ' ' ILE . . . . . . . . . . . . . 62.2 mt -77.77 -39.83 26.8 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.659 0 C-N-CA 120.802 -0.359 . . . . 0.0 110.469 177.051 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 31' ' ' TYR . . . . . . . . . . . . . 19.4 m-85 -62.69 -23.11 66.97 Favored 'General case' 0 C--N 1.329 -0.284 0 N-CA-C 112.878 0.696 . . . . 0.0 112.878 -175.298 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 32' ' ' ASN . . . . . . . . . . . . . 11.5 p-10 -103.55 0.06 30.41 Favored 'General case' 0 C--N 1.327 -0.404 0 C-N-CA 119.855 -0.738 . . . . 0.0 112.092 -178.581 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 33' ' ' GLU . . . . . 0.478 ' HG2' ' O ' ' A' ' 29' ' ' ARG . 48.0 mm-40 -105.95 -32.61 8.24 Favored 'General case' 0 C--O 1.235 0.306 0 CA-C-O 121.452 0.644 . . . . 0.0 109.965 175.879 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 34' ' ' ILE . . . . . 0.448 HG23 ' HB3' ' A' ' 38' ' ' ALA . 9.7 mm -105.37 142.01 19.45 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.645 0 CA-C-N 115.445 -0.798 . . . . 0.0 111.044 -177.251 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 35' ' ' SER . . . . . 0.569 ' HB2' ' HB1' ' A' ' 14' ' ' ALA . 9.0 t -82.06 153.13 26.28 Favored 'General case' 0 C--N 1.322 -0.614 0 CA-C-N 115.402 -0.817 . . . . 0.0 110.087 177.291 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 99.1 mttt -53.3 -29.93 36.13 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.056 -0.52 . . . . 0.0 110.274 174.787 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 37' ' ' ASP . . . . . 0.636 ' O ' ' HG3' ' A' ' 41' ' ' GLN . 11.1 m-20 -60.96 -60.83 3.17 Favored 'General case' 0 C--N 1.332 -0.188 0 CA-C-N 115.629 -0.714 . . . . 0.0 110.35 177.86 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 38' ' ' ALA . . . . . 0.448 ' HB3' HG23 ' A' ' 34' ' ' ILE . . . -63.31 -36.52 83.97 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 115.741 -0.663 . . . . 0.0 111.154 -177.278 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 39' ' ' TRP . . . . . . . . . . . . . 65.2 t-105 -59.92 -48.55 81.24 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-O 120.902 0.382 . . . . 0.0 110.102 176.683 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -60.54 -48.59 81.11 Favored 'General case' 0 N--CA 1.453 -0.321 0 CA-C-N 115.848 -0.615 . . . . 0.0 110.745 178.578 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 41' ' ' GLN . . . . . 0.636 ' HG3' ' O ' ' A' ' 37' ' ' ASP . 81.8 mt-30 -55.19 -49.09 72.78 Favored 'General case' 0 C--O 1.233 0.206 0 O-C-N 123.349 0.406 . . . . 0.0 110.791 179.845 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 42' ' ' TRP . . . . . . . . . . . . . 51.1 t-105 -66.8 -54.44 22.54 Favored 'General case' 0 N--CA 1.45 -0.432 0 CA-C-N 115.781 -0.645 . . . . 0.0 111.224 -175.272 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 43' ' ' GLN . . . . . 0.525 ' HA ' ' OE1' ' A' ' 43' ' ' GLN . 11.9 mm-40 -68.68 -28.72 67.11 Favored 'General case' 0 C--N 1.325 -0.458 0 N-CA-C 112.018 0.377 . . . . 0.0 112.018 -174.119 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 44' ' ' HIS . . . . . . . . . . . . . 0.3 OUTLIER -62.91 -45.71 91.24 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-O 121.132 0.492 . . . . 0.0 109.852 174.387 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 3.7 tmtp? -70.9 -46.43 62.55 Favored 'General case' 0 C--N 1.325 -0.466 0 CA-C-N 115.411 -0.813 . . . . 0.0 110.403 -178.722 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 46' ' ' GLN . . . . . 0.503 ' O ' HG13 ' A' ' 50' ' ' ILE . 52.5 tp60 -61.16 -51.13 70.36 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 115.899 -0.591 . . . . 0.0 111.216 -177.067 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 30.4 m -59.8 -36.79 77.46 Favored 'General case' 0 C--O 1.236 0.355 0 CA-C-O 120.966 0.412 . . . . 0.0 110.628 179.466 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 48' ' ' MET . . . . . . . . . . . . . 24.2 ttt -59.4 -47.74 84.31 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 115.899 -0.591 . . . . 0.0 110.488 175.915 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 49' ' ' LEU . . . . . 0.466 ' HB3' ' HE2' ' A' ' 53' ' ' LYS . 36.5 mt -66.31 -35.98 81.78 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 115.996 -0.547 . . . . 0.0 111.801 -178.455 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 50' ' ' ILE . . . . . 0.503 HG13 ' O ' ' A' ' 46' ' ' GLN . 77.8 mt -61.92 -39.04 82.16 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.42 0 CA-C-O 120.825 0.345 . . . . 0.0 110.609 178.469 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 51' ' ' ASN . . . . . . . . . . . . . 33.9 m-80 -79.06 -35.86 41.85 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.672 -179.839 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 35.9 tt0 -61.75 -55.14 33.4 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-N 115.839 -0.619 . . . . 0.0 110.961 177.853 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 53' ' ' LYS . . . . . 0.466 ' HE2' ' HB3' ' A' ' 49' ' ' LEU . 51.0 mtmt -90.25 -1.53 57.94 Favored 'General case' 0 C--N 1.325 -0.462 0 CA-C-N 115.751 -0.659 . . . . 0.0 111.976 -173.432 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 47.7 mmtm 56.43 46.07 21.47 Favored 'General case' 0 C--O 1.235 0.329 0 O-C-N 123.413 0.445 . . . . 0.0 110.977 178.018 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 81.3 mt -66.58 117.08 8.25 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-N 115.774 -0.648 . . . . 0.0 110.704 -178.063 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 56' ' ' ASN . . . . . 0.541 ' O ' ' HB2' ' A' ' 62' ' ' HIS . 8.4 p30 -87.58 140.29 29.67 Favored 'General case' 0 C--N 1.326 -0.416 0 N-CA-C 109.981 -0.377 . . . . 0.0 109.981 177.864 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 57' ' ' MET . . . . . . . . . . . . . 24.8 mmt -98.76 14.46 28.67 Favored 'General case' 0 C--N 1.322 -0.623 0 CA-C-O 121.28 0.562 . . . . 0.0 109.967 -179.688 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 58' ' ' MET . . . . . . . . . . . . . 54.4 mtt -78.82 -39.96 34.21 Favored 'General case' 0 C--N 1.323 -0.551 0 CA-C-N 115.283 -0.872 . . . . 0.0 109.339 179.362 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 59' ' ' ASN . . . . . . . . . . . . . 6.1 m-20 -86.62 141.02 29.28 Favored 'General case' 0 C--N 1.323 -0.586 0 CA-C-N 115.37 -0.832 . . . . 0.0 110.072 173.629 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 60' ' ' ALA . . . . . 0.411 ' O ' ' HG2' ' A' ' 64' ' ' LYS . . . -60.33 -25.13 65.56 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.053 -0.521 . . . . 0.0 110.813 178.755 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 40.8 mt-10 -47.42 -62.05 1.62 Allowed 'General case' 0 N--CA 1.464 0.261 0 CA-C-N 115.562 -0.744 . . . . 0.0 111.634 178.738 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 62' ' ' HIS . . . . . 0.541 ' HB2' ' O ' ' A' ' 56' ' ' ASN . 81.5 m-70 -85.33 -18.67 33.11 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-N 116.024 -0.534 . . . . 0.0 111.316 -171.376 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 63' ' ' ARG . . . . . . . . . . . . . 7.8 tpm_? -69.05 -56.96 6.15 Favored 'General case' 0 C--N 1.326 -0.437 0 N-CA-C 109.786 -0.45 . . . . 0.0 109.786 176.426 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 64' ' ' LYS . . . . . 0.411 ' HG2' ' O ' ' A' ' 60' ' ' ALA . 21.5 pttp -68.09 -21.04 64.99 Favored 'General case' 0 C--O 1.222 -0.346 0 N-CA-C 109.77 -0.456 . . . . 0.0 109.77 177.885 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 65' ' ' LEU . . . . . 0.508 ' HB3' ' O ' ' A' ' 62' ' ' HIS . 52.2 tp -55.33 -51.85 65.38 Favored 'General case' 0 C--N 1.332 -0.186 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.295 173.106 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 3.0 tt -59.64 -46.22 89.64 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 115.921 -0.581 . . . . 0.0 109.611 -179.957 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -54.41 -53.64 51.32 Favored 'General case' 0 N--CA 1.466 0.348 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.122 176.517 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 68' ' ' GLN . . . . . . . . . . . . . 86.3 mt-30 -58.15 -49.68 76.17 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.061 -0.518 . . . . 0.0 111.151 -178.659 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 69' ' ' GLU . . . . . 0.411 ' HG3' ' O ' ' A' ' 65' ' ' LEU . 42.5 mt-10 -60.65 -43.23 97.85 Favored 'General case' 0 C--O 1.235 0.311 0 CA-C-O 120.807 0.337 . . . . 0.0 110.594 -179.409 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 70' ' ' MET . . . . . . . . . . . . . 49.6 ttm -60.05 -52.24 66.21 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 115.926 -0.579 . . . . 0.0 111.076 -179.043 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 71' ' ' VAL . . . . . . . . . . . . . 97.3 t -61.33 -34.62 61.77 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.358 0 CA-C-N 116.055 -0.521 . . . . 0.0 110.831 -179.086 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 50.4 m -65.29 -37.81 88.32 Favored 'General case' 0 C--N 1.325 -0.48 0 N-CA-C 111.907 0.336 . . . . 0.0 111.907 -178.861 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 73' ' ' PHE . . . . . . . . . . . . . 62.9 t80 -92.59 -47.37 7.15 Favored 'General case' 0 C--N 1.325 -0.477 0 N-CA-C 111.903 0.334 . . . . 0.0 111.903 -174.058 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 74' ' ' LEU . . . . . 0.413 ' HB3' HG13 ' A' ' 34' ' ' ILE . 83.0 mt -80.59 -47.46 14.12 Favored 'General case' 0 C--N 1.325 -0.465 0 CA-C-O 120.869 0.366 . . . . 0.0 111.941 -173.211 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 75' ' ' PHE . . . . . . . . . . . . . 58.1 t80 -89.1 -42.99 11.38 Favored 'General case' 0 C--N 1.323 -0.545 0 CA-C-O 120.869 0.366 . . . . 0.0 110.32 -177.85 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 32.7 tt0 60.74 90.31 0.07 Allowed 'General case' 0 C--N 1.331 -0.215 0 CA-C-N 114.933 -1.03 . . . . 0.0 110.525 -176.628 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . 157.32 44.47 0.02 OUTLIER Glycine 0 N--CA 1.445 -0.747 0 C-N-CA 120.674 -0.774 . . . . 0.0 112.295 -178.113 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 78' ' ' LYS . . . . . 0.515 ' HD2' ' O ' ' A' ' 78' ' ' LYS . 2.8 pptp? -99.04 139.2 35.04 Favored 'General case' 0 C--N 1.324 -0.509 0 CA-C-O 121.075 0.464 . . . . 0.0 110.585 178.56 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 79' ' ' ASP . . . . . . . . . . . . . 5.3 m-20 -90.39 -32.1 16.59 Favored 'General case' 0 C--N 1.319 -0.757 0 CA-C-N 115.929 -0.578 . . . . 0.0 110.01 176.299 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 80' ' ' VAL . . . . . 0.505 ' O ' ' HD3' ' A' ' 78' ' ' LYS . 46.2 t . . . . . 0 C--N 1.326 -0.447 0 CA-C-N 115.369 -0.832 . . . . 0.0 110.746 -177.574 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 3' ' ' ARG . . . . . . . . . . . . . 39.4 ttm180 . . . . . 0 N--CA 1.453 -0.305 0 N-CA-C 109.973 -0.38 . . . . 0.0 109.973 . . . . . . . . . 0 0 . 1 . 019 nuclear build core ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 17.1 m -86.09 115.51 23.72 Favored 'General case' 0 C--N 1.318 -0.766 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.715 -178.348 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 5' ' ' ILE . . . . . . . . . . . . . 2.7 pp -120.43 169.13 12.05 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 CA-C-N 116.305 -0.407 . . . . 0.0 110.776 179.613 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 6' ' ' PHE . . . . . . . . . . . . . 75.1 t80 -96.56 109.44 22.03 Favored 'General case' 0 C--N 1.322 -0.6 0 N-CA-C 109.319 -0.622 . . . . 0.0 109.319 176.537 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 7' ' ' CYS . . . . . 0.797 ' SG ' ' HB2' ' A' ' 10' ' ' LEU . 9.5 p -87.29 140.16 29.83 Favored 'General case' 0 C--N 1.319 -0.742 0 CA-C-N 116.125 -0.489 . . . . 0.0 111.15 -175.742 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 20.2 m -64.7 -52.55 56.57 Favored 'General case' 0 C--N 1.324 -0.531 0 CA-C-N 115.991 -0.55 . . . . 0.0 111.721 -177.801 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 9' ' ' TYR . . . . . . . . . . . . . 41.6 t80 -67.88 -34.7 77.18 Favored 'General case' 0 C--N 1.325 -0.469 0 N-CA-C 112.474 0.546 . . . . 0.0 112.474 -170.993 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 10' ' ' LEU . . . . . 0.797 ' HB2' ' SG ' ' A' ' 7' ' ' CYS . 92.1 mt -97.09 -23.87 16.03 Favored 'General case' 0 C--N 1.326 -0.443 0 C-N-CA 120.858 -0.337 . . . . 0.0 111.755 -176.744 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 28.2 mm-40 62.15 32.06 17.49 Favored 'General case' 0 N--CA 1.468 0.468 0 CA-C-O 120.892 0.377 . . . . 0.0 111.298 179.33 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 17.7 ptt180 -147.74 -179.07 6.62 Favored 'General case' 0 C--N 1.326 -0.456 0 CA-C-N 116.408 -0.36 . . . . 0.0 110.565 179.637 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 10.1 m-20 -67.72 125.31 25.83 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.278 -0.419 . . . . 0.0 110.637 -178.961 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 14' ' ' ALA . . . . . 0.42 ' HB1' ' HB2' ' A' ' 35' ' ' SER . . . -140.16 178.55 7.2 Favored 'General case' 0 C--N 1.321 -0.65 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.223 177.742 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 14.6 pt-20 -97.8 132.63 43.24 Favored 'General case' 0 C--N 1.322 -0.596 0 CA-C-O 121.314 0.578 . . . . 0.0 110.815 -177.217 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . -67.96 122.69 16.85 Favored Glycine 0 N--CA 1.444 -0.816 0 CA-C-N 115.476 -0.784 . . . . 0.0 112.13 178.996 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 17' ' ' GLN . . . . . . . . . . . . . 4.8 mm-40 -60.38 101.73 0.14 Allowed 'General case' 0 C--N 1.322 -0.594 0 C-N-CA 122.704 0.402 . . . . 0.0 111.588 178.932 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 22.0 t70 -92.81 75.67 4.89 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.981 0.42 . . . . 0.0 110.182 178.932 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 33.2 m-85 -152.45 123.49 7.54 Favored 'General case' 0 C--N 1.323 -0.547 0 CA-C-N 116.065 -0.516 . . . . 0.0 111.009 -179.34 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 81.5 mm-40 -134.07 117.54 16.74 Favored 'General case' 0 C--N 1.322 -0.624 0 CA-C-N 116.071 -0.513 . . . . 0.0 109.683 173.907 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 21' ' ' LEU . . . . . 0.428 HD12 ' N ' ' A' ' 21' ' ' LEU . 4.5 mp -111.85 -84.61 0.57 Allowed 'General case' 0 C--N 1.325 -0.48 0 CA-C-O 121.22 0.533 . . . . 0.0 110.101 -175.706 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 22' ' ' TYR . . . . . 0.502 ' N ' ' HD2' ' A' ' 23' ' ' PRO . 10.5 p90 -108.2 -30.04 0.17 Allowed Pre-proline 0 CA--C 1.543 0.695 0 N-CA-C 113.199 0.815 . . . . 0.0 113.199 177.59 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 23' ' ' PRO . . . . . 0.502 ' HD2' ' N ' ' A' ' 22' ' ' TYR . 73.9 Cg_endo -75.73 169.09 22.98 Favored 'Trans proline' 0 C--N 1.365 1.401 0 CA-C-N 120.81 1.325 . . . . 0.0 111.77 175.239 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -127.97 -110.98 1.6 Allowed Glycine 0 N--CA 1.447 -0.596 0 C-N-CA 120.504 -0.855 . . . . 0.0 112.467 -178.996 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 9.2 pt-20 -62.18 -35.13 77.89 Favored 'General case' 0 C--N 1.326 -0.433 0 N-CA-C 112.042 0.386 . . . . 0.0 112.042 -175.272 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 56.7 tp -66.28 -40.51 90.13 Favored 'General case' 0 C--N 1.329 -0.318 0 N-CA-C 109.315 -0.624 . . . . 0.0 109.315 177.117 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . -65.17 -47.92 75.72 Favored Glycine 0 N--CA 1.446 -0.665 0 N-CA-C 111.107 -0.797 . . . . 0.0 111.107 176.795 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 99.4 mttt -52.52 -50.07 63.58 Favored 'General case' 0 C--N 1.331 -0.216 0 C-N-CA 122.182 0.193 . . . . 0.0 110.948 177.994 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 46.6 ttt180 -50.59 -52.67 36.98 Favored 'General case' 0 C--N 1.331 -0.202 0 CA-C-N 116.321 -0.4 . . . . 0.0 110.705 179.098 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 30' ' ' ILE . . . . . . . . . . . . . 74.3 mt -60.83 -49.84 82.94 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.075 -0.511 . . . . 0.0 110.846 -179.857 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 31' ' ' TYR . . . . . . . . . . . . . 21.5 m-85 -67.29 -11.09 56.66 Favored 'General case' 0 C--N 1.324 -0.52 0 N-CA-C 112.662 0.615 . . . . 0.0 112.662 -173.759 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 32' ' ' ASN . . . . . . . . . . . . . 11.3 m-80 -87.28 -32.1 19.88 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-O 120.61 0.243 . . . . 0.0 111.36 179.137 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 10.7 pt-20 -112.86 -4.04 14.04 Favored 'General case' 0 C--N 1.324 -0.534 0 CA-C-O 121.044 0.45 . . . . 0.0 111.312 -176.678 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 34' ' ' ILE . . . . . 0.455 HD13 ' HA ' ' A' ' 34' ' ' ILE . 11.1 mm -117.39 125.64 74.13 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.606 0 CA-C-O 121.392 0.615 . . . . 0.0 110.802 177.307 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 35' ' ' SER . . . . . 0.42 ' HB2' ' HB1' ' A' ' 14' ' ' ALA . 42.8 t -83.45 162.44 20.97 Favored 'General case' 0 C--N 1.321 -0.669 0 CA-C-N 115.145 -0.934 . . . . 0.0 110.079 177.421 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 84.0 mttt -57.17 -24.98 58.06 Favored 'General case' 0 C--N 1.322 -0.616 0 CA-C-N 115.173 -0.921 . . . . 0.0 110.283 176.962 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 37' ' ' ASP . . . . . 0.597 ' O ' ' HG3' ' A' ' 41' ' ' GLN . 20.4 m-20 -60.16 -64.21 1.03 Allowed 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 115.709 -0.678 . . . . 0.0 110.358 176.369 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -66.42 -38.43 87.43 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 115.929 -0.578 . . . . 0.0 111.315 -175.986 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 39' ' ' TRP . . . . . . . . . . . . . 77.4 t-105 -59.84 -47.27 86.41 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.073 -0.512 . . . . 0.0 110.528 -179.983 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -67.57 -40.49 84.87 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.101 -0.499 . . . . 0.0 111.299 -179.562 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 41' ' ' GLN . . . . . 0.597 ' HG3' ' O ' ' A' ' 37' ' ' ASP . 83.1 mt-30 -60.5 -43.82 96.64 Favored 'General case' 0 CA--C 1.519 -0.226 0 CA-C-N 116.476 -0.329 . . . . 0.0 110.896 -179.876 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 42' ' ' TRP . . . . . . . . . . . . . 30.0 t-105 -65.43 -52.09 55.66 Favored 'General case' 0 N--CA 1.453 -0.321 0 CA-C-N 116.449 -0.341 . . . . 0.0 110.945 -177.8 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 43' ' ' GLN . . . . . . . . . . . . . 80.4 mt-30 -58.9 -39.56 81.84 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.682 0.277 . . . . 0.0 110.648 -179.385 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 44' ' ' HIS . . . . . . . . . . . . . 15.3 t-80 -64.44 -51.56 62.5 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-N 116.397 -0.365 . . . . 0.0 110.44 178.513 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 16.1 tppt? -58.06 -48.29 80.58 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 115.842 -0.617 . . . . 0.0 111.182 179.694 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 46' ' ' GLN . . . . . 0.498 ' O ' HG13 ' A' ' 50' ' ' ILE . 5.4 tt0 -67.24 -45.6 76.24 Favored 'General case' 0 N--CA 1.449 -0.498 0 CA-C-N 116.657 -0.247 . . . . 0.0 111.217 -175.501 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 91.4 m -58.47 -41.98 86.46 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-O 120.934 0.397 . . . . 0.0 110.307 179.008 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 48' ' ' MET . . . . . 0.492 ' O ' ' HG3' ' A' ' 52' ' ' GLU . 28.1 ttt -62.18 -45.13 94.77 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-O 121.133 0.492 . . . . 0.0 110.237 175.621 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 11.1 tp -60.21 -43.23 96.13 Favored 'General case' 0 C--N 1.325 -0.461 0 CA-C-N 115.233 -0.894 . . . . 0.0 110.786 -177.894 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 50' ' ' ILE . . . . . 0.498 HG13 ' O ' ' A' ' 46' ' ' GLN . 88.5 mt -59.58 -43.31 90.7 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 115.796 -0.638 . . . . 0.0 111.006 178.762 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 51' ' ' ASN . . . . . . . . . . . . . 4.1 m-20 -73.18 -33.89 65.69 Favored 'General case' 0 C--N 1.324 -0.505 0 CA-C-N 116.038 -0.528 . . . . 0.0 111.233 -177.325 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 52' ' ' GLU . . . . . 0.492 ' HG3' ' O ' ' A' ' 48' ' ' MET . 49.9 mt-10 -67.24 -53.51 29.47 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-O 120.969 0.414 . . . . 0.0 110.39 176.722 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 66.9 mttm -69.21 -28.07 66.05 Favored 'General case' 0 C--N 1.324 -0.504 0 CA-C-N 115.848 -0.615 . . . . 0.0 111.091 -177.843 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 92.1 mttt 57.5 78.76 0.22 Allowed 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 115.569 -0.741 . . . . 0.0 110.039 -172.87 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 4.0 pp -133.11 157.24 45.81 Favored 'General case' 0 C--N 1.323 -0.547 0 CA-C-N 115.245 -0.888 . . . . 0.0 109.898 -178.794 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 56' ' ' ASN . . . . . . . . . . . . . 18.8 m120 -108.13 136.96 46.93 Favored 'General case' 0 C--N 1.322 -0.613 0 CA-C-O 121.082 0.467 . . . . 0.0 110.966 -178.462 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 57' ' ' MET . . . . . . . . . . . . . 23.3 mmt -85.67 -2.01 57.75 Favored 'General case' 0 C--N 1.326 -0.442 0 CA-C-N 115.749 -0.659 . . . . 0.0 110.356 176.558 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 58' ' ' MET . . . . . . . . . . . . . 65.6 mtt -72.3 -18.3 61.8 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 115.416 -0.811 . . . . 0.0 109.354 173.573 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 59' ' ' ASN . . . . . . . . . . . . . 2.3 m-20 -89.02 137.03 32.69 Favored 'General case' 0 C--N 1.323 -0.56 0 CA-C-N 115.148 -0.933 . . . . 0.0 110.107 -178.809 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 60' ' ' ALA . . . . . 0.535 ' O ' ' HG2' ' A' ' 64' ' ' LYS . . . -63.29 -19.56 64.7 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.344 -0.389 . . . . 0.0 110.637 178.698 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 20.4 mt-10 -56.02 -57.14 13.4 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-O 121.726 0.774 . . . . 0.0 110.005 174.692 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 62' ' ' HIS . . . . . 0.451 ' HA ' ' HB3' ' A' ' 65' ' ' LEU . 95.3 m-70 -91.24 -15.77 28.7 Favored 'General case' 0 C--N 1.323 -0.561 0 CA-C-N 115.085 -0.961 . . . . 0.0 111.333 -169.605 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 63' ' ' ARG . . . . . 0.415 ' O ' ' HB3' ' A' ' 66' ' ' LEU . 21.7 tpp180 -63.44 -49.4 73.85 Favored 'General case' 0 C--O 1.238 0.48 0 CA-C-O 121.085 0.469 . . . . 0.0 110.032 175.441 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 64' ' ' LYS . . . . . 0.535 ' HG2' ' O ' ' A' ' 60' ' ' ALA . 18.9 pttm -73.04 -34.13 66.13 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.124 177.139 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 65' ' ' LEU . . . . . 0.545 ' O ' ' HG3' ' A' ' 69' ' ' GLU . 47.9 tp -55.85 -46.04 78.3 Favored 'General case' 0 N--CA 1.463 0.206 0 N-CA-C 109.862 -0.421 . . . . 0.0 109.862 175.504 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 66' ' ' LEU . . . . . 0.415 ' HB3' ' O ' ' A' ' 63' ' ' ARG . 8.9 tp -48.4 -57.09 6.56 Favored 'General case' 0 C--N 1.332 -0.174 0 CA-C-N 115.79 -0.641 . . . . 0.0 110.861 173.344 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 2.4 tm-20 -53.94 -43.74 70.07 Favored 'General case' 0 C--O 1.235 0.304 0 CA-C-N 116.11 -0.496 . . . . 0.0 110.618 178.333 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 68' ' ' GLN . . . . . 0.491 ' HA ' ' NZ ' ' A' ' 78' ' ' LYS . 58.0 mt-30 -59.18 -62.58 1.78 Allowed 'General case' 0 C--N 1.321 -0.673 0 CA-C-N 115.799 -0.637 . . . . 0.0 111.359 -179.431 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 69' ' ' GLU . . . . . 0.545 ' HG3' ' O ' ' A' ' 65' ' ' LEU . 17.3 mt-10 -63.92 -41.94 97.52 Favored 'General case' 0 C--N 1.325 -0.498 0 CA-C-N 116.461 -0.336 . . . . 0.0 111.365 -174.092 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 70' ' ' MET . . . . . . . . . . . . . 59.0 ttp -58.56 -54.38 47.7 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.085 -0.507 . . . . 0.0 111.439 -176.229 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 71' ' ' VAL . . . . . 0.418 ' HB ' ' NZ ' ' A' ' 78' ' ' LYS . 96.3 t -64.04 -38.24 81.92 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.409 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.124 -178.177 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 72' ' ' SER . . . . . 0.599 ' OG ' ' HE2' ' A' ' 78' ' ' LYS . 68.4 m -73.35 -12.59 60.88 Favored 'General case' 0 C--N 1.327 -0.372 0 N-CA-C 111.939 0.348 . . . . 0.0 111.939 -178.524 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 73' ' ' PHE . . . . . . . . . . . . . 55.7 t80 -98.41 -44.94 6.32 Favored 'General case' 0 C--N 1.325 -0.481 0 C-N-CA 120.662 -0.415 . . . . 0.0 110.819 177.248 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 74' ' ' LEU . . . . . . . . . . . . . 97.0 mt -78.17 -49.6 13.52 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 116.335 -0.393 . . . . 0.0 111.565 -176.684 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 75' ' ' PHE . . . . . . . . . . . . . 20.3 m-30 -95.41 -11.16 28.11 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.884 0.373 . . . . 0.0 110.207 179.556 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 76' ' ' GLU . . . . . 0.557 ' HA ' ' O ' ' A' ' 72' ' ' SER . 50.2 mt-10 70.67 -75.56 0.07 Allowed 'General case' 0 N--CA 1.466 0.358 0 CA-C-N 115.252 -0.886 . . . . 0.0 112.479 177.562 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . -92.74 88.18 1.28 Allowed Glycine 0 N--CA 1.445 -0.72 0 C-N-CA 120.651 -0.785 . . . . 0.0 113.971 -168.147 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 78' ' ' LYS . . . . . 0.599 ' HE2' ' OG ' ' A' ' 72' ' ' SER . 0.0 OUTLIER -121.58 159.6 26.08 Favored 'General case' 0 C--N 1.328 -0.337 0 N-CA-C 109.649 -0.5 . . . . 0.0 109.649 170.672 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 79' ' ' ASP . . . . . . . . . . . . . 43.7 m-20 -89.77 -16.19 30.79 Favored 'General case' 0 C--N 1.326 -0.433 0 N-CA-C 113.636 0.976 . . . . 0.0 113.636 -165.357 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 80' ' ' VAL . . . . . 0.506 ' HB ' ' HE3' ' A' ' 78' ' ' LYS . 67.0 t . . . . . 0 C--N 1.323 -0.552 0 N-CA-C 110.01 -0.367 . . . . 0.0 110.01 177.179 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 3' ' ' ARG . . . . . . . . . . . . . 30.3 tpt180 . . . . . 0 N--CA 1.454 -0.274 0 CA-C-O 121.089 0.471 . . . . 0.0 110.975 . . . . . . . . . 0 0 . 1 . 020 nuclear build core ' A' A ' 4' ' ' THR . . . . . 0.43 ' HA ' ' O ' ' A' ' 14' ' ' ALA . 22.7 p -87.02 103.72 15.63 Favored 'General case' 0 C--N 1.324 -0.539 0 CA-C-N 115.506 -0.77 . . . . 0.0 110.798 177.494 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 5' ' ' ILE . . . . . . . . . . . . . 2.8 pp -103.34 170.02 1.89 Allowed 'Isoleucine or valine' 0 C--N 1.321 -0.64 0 CA-C-N 115.955 -0.566 . . . . 0.0 110.688 -179.69 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 6' ' ' PHE . . . . . . . . . . . . . 83.4 m-85 -100.77 98.32 8.86 Favored 'General case' 0 C--N 1.322 -0.626 0 CA-C-O 120.993 0.425 . . . . 0.0 110.097 178.731 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 7' ' ' CYS . . . . . 0.464 ' HA ' ' O ' ' A' ' 33' ' ' GLU . 53.0 t -65.6 134.17 52.72 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-N 115.727 -0.67 . . . . 0.0 111.08 -176.862 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 8.8 p -58.85 -47.86 83.4 Favored 'General case' 0 C--N 1.325 -0.485 0 CA-C-N 115.949 -0.569 . . . . 0.0 111.965 -179.333 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 9' ' ' TYR . . . . . . . . . . . . . 60.7 t80 -73.89 -37.43 64.69 Favored 'General case' 0 C--N 1.324 -0.528 0 CA-C-N 115.929 -0.578 . . . . 0.0 111.656 -174.863 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 93.7 mt -86.85 -28.4 22.9 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-N 116.569 -0.287 . . . . 0.0 111.756 -175.944 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 29.1 mm-40 59.86 36.25 21.9 Favored 'General case' 0 N--CA 1.466 0.325 0 CA-C-O 120.965 0.412 . . . . 0.0 111.185 -179.575 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 6.9 ptp180 -151.38 176.96 10.76 Favored 'General case' 0 C--N 1.324 -0.51 0 CA-C-N 116.005 -0.543 . . . . 0.0 109.909 -179.192 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 7.6 m-20 -66.02 124.72 23.34 Favored 'General case' 0 C--N 1.327 -0.407 0 O-C-N 123.669 0.606 . . . . 0.0 110.067 177.033 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 14' ' ' ALA . . . . . 0.435 ' HB1' ' HB2' ' A' ' 35' ' ' SER . . . -142.54 179.6 6.87 Favored 'General case' 0 C--N 1.318 -0.763 0 CA-C-N 116.408 -0.36 . . . . 0.0 110.664 -178.731 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 16.4 pt-20 -94.85 144.53 25.57 Favored 'General case' 0 C--N 1.322 -0.594 0 CA-C-N 116.722 -0.217 . . . . 0.0 110.439 -179.063 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . -63.17 105.61 1.08 Allowed Glycine 0 N--CA 1.451 -0.327 0 N-CA-C 110.113 -1.195 . . . . 0.0 110.113 168.665 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 17' ' ' GLN . . . . . 0.634 ' HG3' ' N ' ' A' ' 18' ' ' ASP . 12.0 pt20 -44.48 -57.59 3.48 Favored 'General case' 0 CA--C 1.53 0.209 0 N-CA-C 113.727 1.01 . . . . 0.0 113.727 -163.576 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 18' ' ' ASP . . . . . 0.634 ' N ' ' HG3' ' A' ' 17' ' ' GLN . 0.9 OUTLIER -162.34 -158.4 0.52 Allowed 'General case' 0 C--N 1.323 -0.556 0 C-N-CA 120.645 -0.422 . . . . 0.0 110.496 -171.287 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 54.4 m-85 -112.65 177.95 4.46 Favored 'General case' 0 C--N 1.322 -0.6 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.476 -177.486 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 51.5 mt-30 -86.94 120.06 27.82 Favored 'General case' 0 C--N 1.325 -0.459 0 CA-C-O 120.949 0.404 . . . . 0.0 110.353 178.394 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 4.3 mp -90.31 -55.13 3.72 Favored 'General case' 0 C--N 1.324 -0.517 0 CA-C-N 115.871 -0.604 . . . . 0.0 109.458 179.002 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 22' ' ' TYR . . . . . 0.671 ' H ' ' CD ' ' A' ' 23' ' ' PRO . 24.9 p90 -149.37 -33.74 0.0 OUTLIER Pre-proline 0 CA--C 1.54 0.593 0 N-CA-C 112.975 0.732 . . . . 0.0 112.975 177.074 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 23' ' ' PRO . . . . . 0.671 ' CD ' ' H ' ' A' ' 22' ' ' TYR . 52.8 Cg_exo -57.8 136.96 78.66 Favored 'Trans proline' 0 C--N 1.364 1.35 0 C-N-CA 121.234 1.289 . . . . 0.0 111.802 173.68 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -93.83 -114.33 2.45 Favored Glycine 0 N--CA 1.451 -0.358 0 C-N-CA 121.339 -0.458 . . . . 0.0 113.028 -171.085 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -64.08 -41.97 97.13 Favored 'General case' 0 C--N 1.332 -0.166 0 CA-C-O 120.629 0.252 . . . . 0.0 111.035 -175.321 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 63.0 tp -67.09 -35.21 79.29 Favored 'General case' 0 C--N 1.327 -0.396 0 N-CA-C 109.681 -0.489 . . . . 0.0 109.681 176.176 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 27' ' ' GLY . . . . . 0.519 ' HA3' ' HB2' ' A' ' 23' ' ' PRO . . . -62.41 -53.02 45.05 Favored Glycine 0 N--CA 1.445 -0.743 0 CA-C-N 115.561 -0.745 . . . . 0.0 111.718 176.509 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 48.0 tttm -54.98 -45.27 74.99 Favored 'General case' 0 N--CA 1.452 -0.365 0 O-C-N 123.738 0.316 . . . . 0.0 110.515 178.453 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 33.4 ttt180 -52.47 -39.36 61.08 Favored 'General case' 0 C--O 1.224 -0.249 0 CA-C-N 115.547 -0.752 . . . . 0.0 111.057 179.835 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 30' ' ' ILE . . . . . . . . . . . . . 76.0 mt -78.43 -46.11 25.51 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.626 0 CA-C-N 116.701 -0.227 . . . . 0.0 111.397 179.582 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 31' ' ' TYR . . . . . 0.41 ' O ' ' HG2' ' A' ' 17' ' ' GLN . 22.6 m-85 -60.47 -30.64 69.8 Favored 'General case' 0 CA--C 1.533 0.289 0 N-CA-C 113.049 0.759 . . . . 0.0 113.049 -172.02 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 32' ' ' ASN . . . . . 0.436 ' C ' HD22 ' A' ' 32' ' ' ASN . 0.4 OUTLIER -103.61 0.23 30.5 Favored 'General case' 0 C--N 1.329 -0.316 0 N-CA-C 112.694 0.628 . . . . 0.0 112.694 -177.342 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 33' ' ' GLU . . . . . 0.464 ' O ' ' HA ' ' A' ' 7' ' ' CYS . 52.5 mm-40 -112.34 -15.39 13.15 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-O 121.158 0.504 . . . . 0.0 110.562 176.126 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 34' ' ' ILE . . . . . 0.415 HD13 ' SG ' ' A' ' 7' ' ' CYS . 1.6 mm -113.58 136.15 50.9 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.541 0 CA-C-O 121.396 0.617 . . . . 0.0 111.255 179.66 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 35' ' ' SER . . . . . 0.435 ' HB2' ' HB1' ' A' ' 14' ' ' ALA . 43.4 t -82.43 151.46 26.57 Favored 'General case' 0 N--CA 1.448 -0.572 0 CA-C-N 115.316 -0.856 . . . . 0.0 109.868 176.62 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 36' ' ' LYS . . . . . 0.431 ' HE3' ' O ' ' A' ' 17' ' ' GLN . 4.7 tppp? -57.79 -28.25 63.84 Favored 'General case' 0 C--N 1.324 -0.527 0 CA-C-N 115.961 -0.563 . . . . 0.0 110.226 178.099 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 22.3 t70 -61.05 -53.27 59.23 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-O 120.995 0.426 . . . . 0.0 110.431 176.348 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -68.56 -36.34 78.63 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.076 -0.511 . . . . 0.0 110.645 -179.718 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 39' ' ' TRP . . . . . 0.46 ' O ' ' HG3' ' A' ' 43' ' ' GLN . 76.2 t-105 -61.03 -40.78 94.9 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 115.828 -0.624 . . . . 0.0 110.342 176.829 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -72.43 -45.61 58.83 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 115.967 -0.561 . . . . 0.0 110.983 178.592 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 15.6 mm100 -59.2 -39.71 83.47 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.079 -0.509 . . . . 0.0 111.272 179.445 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 42' ' ' TRP . . . . . . . . . . . . . 38.2 t-105 -63.03 -56.66 15.05 Favored 'General case' 0 C--O 1.22 -0.451 0 C-N-CA 120.828 -0.349 . . . . 0.0 110.916 177.918 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 43' ' ' GLN . . . . . 0.46 ' HG3' ' O ' ' A' ' 39' ' ' TRP . 39.1 mt-30 -61.83 -30.91 71.15 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-O 120.859 0.361 . . . . 0.0 111.093 -175.891 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 44' ' ' HIS . . . . . . . . . . . . . 47.8 t-80 -62.45 -49.38 75.65 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-N 115.797 -0.638 . . . . 0.0 110.025 177.291 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 45' ' ' LYS . . . . . 0.681 ' O ' ' HG ' ' A' ' 49' ' ' LEU . 4.2 tppp? -70.87 -37.75 73.06 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-N 115.809 -0.632 . . . . 0.0 110.299 179.179 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 46' ' ' GLN . . . . . 0.485 ' O ' HG13 ' A' ' 50' ' ' ILE . 16.0 tt0 -55.43 -53.84 51.23 Favored 'General case' 0 C--N 1.326 -0.413 0 CA-C-N 115.646 -0.706 . . . . 0.0 110.332 178.978 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 27.4 m -59.33 -39.9 84.61 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-N 115.801 -0.636 . . . . 0.0 110.426 178.837 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 48' ' ' MET . . . . . . . . . . . . . 13.6 tpt -70.64 -14.27 62.41 Favored 'General case' 0 CA--C 1.532 0.271 0 CA-C-O 121.262 0.553 . . . . 0.0 111.155 -178.402 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 49' ' ' LEU . . . . . 0.681 ' HG ' ' O ' ' A' ' 45' ' ' LYS . 83.2 mt -86.52 -44.16 12.17 Favored 'General case' 0 C--N 1.322 -0.604 0 N-CA-C 109.315 -0.624 . . . . 0.0 109.315 172.611 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 50' ' ' ILE . . . . . 0.485 HG13 ' O ' ' A' ' 46' ' ' GLN . 67.5 mt -64.18 -51.77 64.5 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.516 0 CA-C-N 115.185 -0.916 . . . . 0.0 111.814 -177.584 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 51' ' ' ASN . . . . . . . . . . . . . 36.0 p-10 -73.97 -19.22 60.73 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.855 -171.741 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 11.5 mm-40 -93.14 -42.6 9.3 Favored 'General case' 0 C--N 1.324 -0.513 0 CA-C-O 120.859 0.361 . . . . 0.0 111.043 179.89 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 56.7 mttp -79.53 -19.68 48.97 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.77 -179.78 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 56.2 mtpt 60.11 40.57 18.22 Favored 'General case' 0 N--CA 1.461 0.12 0 CA-C-N 115.73 -0.668 . . . . 0.0 110.912 175.351 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 55' ' ' LEU . . . . . 0.515 ' O ' HD12 ' A' ' 55' ' ' LEU . 2.4 pp -98.63 143.42 29.04 Favored 'General case' 0 C--N 1.323 -0.552 0 CA-C-N 116.002 -0.544 . . . . 0.0 111.138 -177.906 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 56' ' ' ASN . . . . . . . . . . . . . 16.9 p30 -95.32 137.03 34.94 Favored 'General case' 0 C--N 1.323 -0.577 0 CA-C-N 115.98 -0.555 . . . . 0.0 110.174 176.825 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 57' ' ' MET . . . . . 0.487 ' O ' ' HG2' ' A' ' 63' ' ' ARG . 15.1 ptp -109.86 15.11 22.88 Favored 'General case' 0 C--N 1.315 -0.896 0 O-C-N 122.109 -0.369 . . . . 0.0 111.34 -175.299 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 58' ' ' MET . . . . . . . . . . . . . 71.9 mtm -75.09 -19.93 59.73 Favored 'General case' 0 C--N 1.325 -0.475 0 N-CA-C 108.437 -0.949 . . . . 0.0 108.437 168.417 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 59' ' ' ASN . . . . . . . . . . . . . 3.9 m-20 -71.09 136.52 48.28 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 114.608 -1.178 . . . . 0.0 109.281 171.169 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -58.45 -41.23 84.66 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-O 120.77 0.319 . . . . 0.0 111.818 -175.669 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 27.4 mm-40 -62.76 -40.35 96.97 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 116.091 -0.504 . . . . 0.0 111.642 -178.083 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 62' ' ' HIS . . . . . . . . . . . . . 39.0 m170 -79.28 -26.48 42.32 Favored 'General case' 0 C--N 1.324 -0.516 0 CA-C-N 116.475 -0.33 . . . . 0.0 111.13 -177.581 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 63' ' ' ARG . . . . . 0.487 ' HG2' ' O ' ' A' ' 57' ' ' MET . 0.0 OUTLIER -68.17 -52.01 39.31 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-O 120.9 0.381 . . . . 0.0 110.1 178.379 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 63.9 pttt -68.35 -27.69 66.48 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 115.907 -0.588 . . . . 0.0 110.445 -178.795 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 65' ' ' LEU . . . . . 0.425 HD22 ' HA ' ' A' ' 65' ' ' LEU . 1.1 tm? -59.57 -54.66 43.91 Favored 'General case' 0 C--N 1.329 -0.29 0 N-CA-C 109.641 -0.504 . . . . 0.0 109.641 178.069 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 66' ' ' LEU . . . . . 0.421 HD23 ' C ' ' A' ' 66' ' ' LEU . 7.2 tt -56.12 -52.05 65.72 Favored 'General case' 0 C--O 1.226 -0.179 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.104 177.653 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 67' ' ' GLU . . . . . 0.457 ' O ' HG23 ' A' ' 71' ' ' VAL . 42.7 tt0 -51.93 -54.06 33.87 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 115.782 -0.645 . . . . 0.0 111.522 -179.64 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 68' ' ' GLN . . . . . . . . . . . . . 57.2 mt-30 -66.09 -41.67 90.37 Favored 'General case' 0 C--N 1.325 -0.481 0 CA-C-N 116.323 -0.399 . . . . 0.0 111.62 -177.938 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 6.4 tp10 -64.09 -36.4 83.89 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-O 121.246 0.546 . . . . 0.0 110.004 179.504 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 70' ' ' MET . . . . . . . . . . . . . 58.3 ttp -62.27 -47.71 83.13 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 115.487 -0.779 . . . . 0.0 110.511 178.228 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 71' ' ' VAL . . . . . 0.457 HG23 ' O ' ' A' ' 67' ' ' GLU . 55.8 t -60.44 -37.55 75.0 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.415 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.26 178.474 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 72' ' ' SER . . . . . 0.487 ' O ' ' HA ' ' A' ' 76' ' ' GLU . 16.5 m -69.15 -26.65 64.98 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 115.997 -0.547 . . . . 0.0 111.576 -178.234 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 73' ' ' PHE . . . . . . . . . . . . . 43.5 t80 -92.23 -36.21 13.38 Favored 'General case' 0 C--N 1.326 -0.455 0 CA-C-O 120.743 0.306 . . . . 0.0 111.106 -177.894 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 74' ' ' LEU . . . . . . . . . . . . . 10.9 mp -88.74 -40.99 12.83 Favored 'General case' 0 C--N 1.324 -0.506 0 N-CA-C 112.029 0.381 . . . . 0.0 112.029 -176.086 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 75' ' ' PHE . . . . . . . . . . . . . 57.4 t80 -108.64 -24.78 11.2 Favored 'General case' 0 C--N 1.325 -0.469 0 CA-C-N 116.502 -0.317 . . . . 0.0 110.763 -175.713 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 76' ' ' GLU . . . . . 0.487 ' HA ' ' O ' ' A' ' 72' ' ' SER . 48.9 mt-10 72.79 -55.89 0.67 Allowed 'General case' 0 N--CA 1.468 0.465 0 C-N-CA 123.764 0.826 . . . . 0.0 112.049 177.566 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . -82.16 84.64 1.49 Allowed Glycine 0 N--CA 1.45 -0.43 0 C-N-CA 120.951 -0.642 . . . . 0.0 113.008 -176.055 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -111.29 176.08 5.17 Favored 'General case' 0 C--N 1.323 -0.55 0 CA-C-O 120.722 0.296 . . . . 0.0 110.923 177.671 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 79' ' ' ASP . . . . . . . . . . . . . 25.8 m-20 -99.45 -45.13 5.93 Favored 'General case' 0 C--N 1.324 -0.503 0 CA-C-N 116.47 -0.332 . . . . 0.0 111.554 -176.223 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 80' ' ' VAL . . . . . . . . . . . . . 36.1 t . . . . . 0 C--N 1.326 -0.442 0 CA-C-O 121.463 0.649 . . . . 0.0 112.02 -170.729 . . . . . . . . 0 0 . 1 . 001 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 86.4 mtp . . . . . 0 N--CA 1.479 0.976 0 N-CA-C 110.091 -0.337 . . . . 0.0 110.091 . . . . . . . . . 0 0 . 1 . 001 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 67.6 m -80.2 104.8 11.0 Favored 'General case' 0 C--N 1.322 -0.624 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.67 179.077 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 3' ' ' ARG . . . . . . . . . . . . . 32.8 tpt180 -81.97 121.31 26.36 Favored 'General case' 0 C--N 1.325 -0.475 0 CA-C-N 115.948 -0.569 . . . . 0.0 109.904 178.708 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 5.5 p -84.99 127.02 34.01 Favored 'General case' 0 C--N 1.323 -0.566 0 CA-C-N 115.841 -0.618 . . . . 0.0 111.69 -176.903 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 5' ' ' ILE . . . . . . . . . . . . . 2.7 pp -132.74 177.5 7.04 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.594 0 CA-C-N 115.74 -0.664 . . . . 0.0 109.656 174.051 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 6' ' ' PHE . . . . . . . . . . . . . 84.6 m-85 -111.69 103.72 12.03 Favored 'General case' 0 C--N 1.321 -0.658 0 CA-C-O 121.021 0.439 . . . . 0.0 109.871 177.34 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 7' ' ' CYS . . . . . 0.439 ' HA ' ' O ' ' A' ' 33' ' ' GLU . 49.2 t -77.24 135.05 38.44 Favored 'General case' 0 C--N 1.322 -0.599 0 CA-C-N 115.719 -0.673 . . . . 0.0 110.722 -176.946 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 4.5 p -59.17 -40.31 85.24 Favored 'General case' 0 C--N 1.325 -0.475 0 CA-C-N 116.018 -0.537 . . . . 0.0 111.611 179.376 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 9' ' ' TYR . . . . . . . . . . . . . 56.3 t80 -75.61 -16.23 60.25 Favored 'General case' 0 C--N 1.322 -0.609 0 CA-C-N 115.829 -0.623 . . . . 0.0 111.477 -174.618 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 96.6 mt -111.06 -31.15 7.21 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.679 -0.237 . . . . 0.0 111.62 -176.796 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 31.2 mm-40 64.0 23.16 13.19 Favored 'General case' 0 N--CA 1.467 0.393 0 CA-C-O 121.059 0.457 . . . . 0.0 111.216 -179.028 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 10.8 ptm180 -144.55 179.14 7.47 Favored 'General case' 0 C--N 1.325 -0.49 0 CA-C-N 115.974 -0.557 . . . . 0.0 110.169 178.408 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 6.2 p-10 -59.87 133.44 56.1 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-N 115.761 -0.654 . . . . 0.0 110.18 174.959 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 14' ' ' ALA . . . . . 0.425 ' HB1' ' HB2' ' A' ' 35' ' ' SER . . . -145.38 167.24 23.38 Favored 'General case' 0 C--N 1.319 -0.719 0 CA-C-N 115.591 -0.731 . . . . 0.0 110.369 -179.186 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 38.3 tt0 -90.99 128.55 36.86 Favored 'General case' 0 C--N 1.323 -0.575 0 N-CA-C 109.672 -0.492 . . . . 0.0 109.672 -179.396 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . -60.84 153.4 37.77 Favored Glycine 0 N--CA 1.449 -0.466 0 C-N-CA 121.131 -0.557 . . . . 0.0 112.78 -179.282 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 17' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -66.27 171.3 4.9 Favored 'General case' 0 C--N 1.327 -0.376 0 C-N-CA 122.331 0.252 . . . . 0.0 110.95 179.254 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 28.8 m-20 -71.66 -87.57 0.02 OUTLIER 'General case' 0 N--CA 1.464 0.259 0 N-CA-C 112.358 0.503 . . . . 0.0 112.358 -174.143 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 36.9 p90 -163.19 -174.88 4.02 Favored 'General case' 0 C--O 1.237 0.442 0 CA-C-N 116.346 -0.388 . . . . 0.0 110.507 -175.69 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 72.9 mm-40 -74.36 98.5 3.27 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-O 121.353 0.597 . . . . 0.0 110.463 -179.268 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -104.03 5.15 35.15 Favored 'General case' 0 C--N 1.319 -0.749 0 CA-C-N 115.411 -0.813 . . . . 0.0 110.796 -178.948 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 22' ' ' TYR . . . . . 0.499 ' HB3' ' HD3' ' A' ' 23' ' ' PRO . 64.9 t80 -176.0 -49.57 0.0 OUTLIER Pre-proline 0 CA--C 1.534 0.343 0 CA-C-N 115.697 -0.683 . . . . 0.0 110.866 177.525 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 23' ' ' PRO . . . . . 0.499 ' HD3' ' HB3' ' A' ' 22' ' ' TYR . 4.6 Cg_exo -80.15 -171.45 1.25 Allowed 'Trans proline' 0 C--N 1.355 0.873 0 C-N-CA 122.055 1.837 . . . . 0.0 111.883 178.754 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 24' ' ' GLY . . . . . 0.402 ' O ' ' HG2' ' A' ' 28' ' ' LYS . . . -144.84 -83.93 0.06 OUTLIER Glycine 0 N--CA 1.445 -0.755 0 C-N-CA 120.872 -0.68 . . . . 0.0 111.799 177.859 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 18.1 mm-40 -71.69 -48.62 46.16 Favored 'General case' 0 C--N 1.324 -0.512 0 N-CA-C 110.215 -0.291 . . . . 0.0 110.215 -178.647 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 93.8 mt -62.34 -37.12 84.41 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 115.95 -0.568 . . . . 0.0 110.212 176.187 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . -55.46 -60.28 9.09 Favored Glycine 0 N--CA 1.448 -0.538 0 CA-C-N 115.503 -0.771 . . . . 0.0 112.501 -178.986 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 28' ' ' LYS . . . . . 0.402 ' HG2' ' O ' ' A' ' 24' ' ' GLY . 18.4 pttp -68.18 -30.07 69.09 Favored 'General case' 0 C--N 1.326 -0.454 0 C-N-CA 120.748 -0.381 . . . . 0.0 111.748 -176.157 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 37.0 ttp180 -65.58 -28.22 68.99 Favored 'General case' 0 C--N 1.331 -0.213 0 CA-C-O 120.791 0.329 . . . . 0.0 110.598 178.695 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 30' ' ' ILE . . . . . . . . . . . . . 92.8 mt -91.25 -39.26 11.56 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.528 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.815 178.354 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 31' ' ' TYR . . . . . . . . . . . . . 20.2 m-30 -55.54 -33.97 64.3 Favored 'General case' 0 N--CA 1.467 0.419 0 N-CA-C 112.63 0.604 . . . . 0.0 112.63 -177.49 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 32' ' ' ASN . . . . . . . . . . . . . 9.9 p30 -79.29 -11.77 59.94 Favored 'General case' 0 C--N 1.327 -0.373 0 C-N-CA 120.191 -0.604 . . . . 0.0 111.589 -176.992 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 33' ' ' GLU . . . . . 0.439 ' O ' ' HA ' ' A' ' 7' ' ' CYS . 8.3 mm-40 -112.43 -14.33 13.28 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 121.062 0.458 . . . . 0.0 110.736 -179.391 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 34' ' ' ILE . . . . . 0.423 HD13 ' HA ' ' A' ' 34' ' ' ILE . 24.4 mm -123.32 125.39 71.72 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.508 0 CA-C-O 121.441 0.638 . . . . 0.0 112.141 -172.89 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 35' ' ' SER . . . . . 0.425 ' HB2' ' HB1' ' A' ' 14' ' ' ALA . 44.3 t -80.63 161.78 24.53 Favored 'General case' 0 N--CA 1.449 -0.524 0 CA-C-N 114.989 -1.005 . . . . 0.0 110.138 175.713 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 39.7 mttm -52.54 -33.0 43.47 Favored 'General case' 0 C--N 1.325 -0.5 0 CA-C-N 115.7 -0.682 . . . . 0.0 110.709 174.299 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 12.4 t0 -59.22 -60.3 4.07 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 115.387 -0.824 . . . . 0.0 110.498 179.645 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -64.62 -35.16 80.1 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 115.822 -0.626 . . . . 0.0 111.361 -177.519 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 39' ' ' TRP . . . . . . . . . . . . . 66.0 t-105 -58.63 -45.24 89.68 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 115.782 -0.644 . . . . 0.0 109.977 177.505 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -69.34 -42.81 74.81 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 115.804 -0.634 . . . . 0.0 110.94 178.955 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 30.5 mm-40 -52.78 -54.63 31.35 Favored 'General case' 0 C--O 1.235 0.307 0 CA-C-N 116.133 -0.485 . . . . 0.0 111.447 179.894 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 42' ' ' TRP . . . . . . . . . . . . . 37.1 t-105 -67.55 -46.83 71.6 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 116.27 -0.423 . . . . 0.0 111.98 -174.713 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 43' ' ' GLN . . . . . . . . . . . . . 71.5 mt-30 -61.67 -27.83 68.96 Favored 'General case' 0 C--N 1.326 -0.451 0 C-N-CA 120.792 -0.363 . . . . 0.0 111.443 -176.789 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 44' ' ' HIS . . . . . . . . . . . . . 64.0 m170 -70.46 -46.54 63.6 Favored 'General case' 0 C--N 1.325 -0.459 0 CA-C-O 120.994 0.426 . . . . 0.0 109.875 175.342 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 45' ' ' LYS . . . . . 0.548 ' O ' ' HG ' ' A' ' 49' ' ' LEU . 4.2 tppp? -63.96 -45.98 86.7 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 115.637 -0.71 . . . . 0.0 111.398 -178.567 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 46' ' ' GLN . . . . . 0.484 ' O ' HG13 ' A' ' 50' ' ' ILE . 6.7 tp-100 -65.49 -40.74 93.41 Favored 'General case' 0 C--N 1.327 -0.386 0 C-N-CA 121.104 -0.238 . . . . 0.0 110.974 -178.099 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 88.3 m -56.62 -43.01 79.78 Favored 'General case' 0 C--O 1.235 0.327 0 CA-C-O 120.848 0.356 . . . . 0.0 110.044 176.102 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 48' ' ' MET . . . . . . . . . . . . . 15.2 tpt -61.35 -44.54 97.0 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 115.86 -0.609 . . . . 0.0 110.379 175.264 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 49' ' ' LEU . . . . . 0.548 ' HG ' ' O ' ' A' ' 45' ' ' LYS . 85.4 mt -61.38 -41.7 97.53 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.039 -179.558 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 50' ' ' ILE . . . . . 0.484 HG13 ' O ' ' A' ' 46' ' ' GLN . 77.8 mt -61.75 -33.65 58.63 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-O 120.767 0.318 . . . . 0.0 110.832 179.107 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 51' ' ' ASN . . . . . . . . . . . . . 87.8 m-20 -70.53 -29.52 66.03 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-O 120.901 0.381 . . . . 0.0 110.582 178.389 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 13.1 mm-40 -82.75 -46.12 13.55 Favored 'General case' 0 C--N 1.325 -0.485 0 CA-C-N 116.119 -0.491 . . . . 0.0 111.095 179.263 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 93.5 mttt -74.03 -27.73 61.08 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 115.646 -0.707 . . . . 0.0 111.248 -176.678 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 27.2 mtpp 63.27 30.41 15.74 Favored 'General case' 0 N--CA 1.467 0.412 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.767 179.937 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 4.1 pp -85.46 158.2 20.26 Favored 'General case' 0 C--N 1.325 -0.482 0 CA-C-O 121.073 0.463 . . . . 0.0 111.882 -173.313 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 56' ' ' ASN . . . . . . . . . . . . . 9.7 p30 -116.13 150.11 37.92 Favored 'General case' 0 C--N 1.324 -0.538 0 CA-C-N 115.55 -0.75 . . . . 0.0 109.189 175.205 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 57' ' ' MET . . . . . . . . . . . . . 26.3 mmt -89.11 15.77 8.24 Favored 'General case' 0 C--N 1.323 -0.562 0 N-CA-C 111.979 0.362 . . . . 0.0 111.979 -175.764 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 58' ' ' MET . . . . . . . . . . . . . 55.6 mtm -94.7 -2.92 50.28 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-O 121.04 0.448 . . . . 0.0 110.559 179.589 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 59' ' ' ASN . . . . . . . . . . . . . 14.8 m120 -116.24 132.7 56.59 Favored 'General case' 0 C--N 1.323 -0.577 0 CA-C-N 116.359 -0.382 . . . . 0.0 110.166 -179.095 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -57.43 -33.14 67.59 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.078 -0.51 . . . . 0.0 111.036 -179.153 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 30.2 mt-10 -52.41 -57.35 10.11 Favored 'General case' 0 C--O 1.235 0.34 0 CA-C-O 121.712 0.768 . . . . 0.0 110.547 176.712 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 62' ' ' HIS . . . . . . . . . . . . . 67.4 m-70 -80.55 -24.09 39.51 Favored 'General case' 0 C--N 1.322 -0.629 0 CA-C-N 115.185 -0.916 . . . . 0.0 110.521 -173.73 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 63' ' ' ARG . . . . . . . . . . . . . 20.9 tpt180 -69.92 -42.2 73.62 Favored 'General case' 0 C--N 1.325 -0.457 0 CA-C-N 115.932 -0.577 . . . . 0.0 110.207 178.548 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 12.5 pttp -74.08 -22.59 59.45 Favored 'General case' 0 N--CA 1.455 -0.199 0 C-N-CA 120.659 -0.416 . . . . 0.0 110.044 179.476 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -57.88 -53.92 52.8 Favored 'General case' 0 CA--C 1.519 -0.214 0 CA-C-O 120.893 0.378 . . . . 0.0 110.1 171.749 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 55.0 tp -53.83 -46.61 71.23 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 115.368 -0.833 . . . . 0.0 110.622 178.389 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 31.9 tt0 -60.89 -51.48 69.13 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 115.866 -0.606 . . . . 0.0 111.021 -178.422 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 68' ' ' GLN . . . . . . . . . . . . . 52.3 mt-30 -52.17 -58.71 5.78 Favored 'General case' 0 C--O 1.234 0.259 0 CA-C-O 121.062 0.458 . . . . 0.0 111.316 179.042 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 42.1 mt-10 -63.72 -41.97 98.0 Favored 'General case' 0 C--N 1.325 -0.474 0 CA-C-N 115.433 -0.803 . . . . 0.0 111.372 -174.393 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 70' ' ' MET . . . . . . . . . . . . . 28.1 ttt -62.31 -49.83 74.07 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.483 -0.326 . . . . 0.0 111.188 -177.419 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 71' ' ' VAL . . . . . . . . . . . . . 60.6 t -65.96 -39.95 86.03 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.379 0 CA-C-N 116.469 -0.332 . . . . 0.0 110.718 -179.592 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 72' ' ' SER . . . . . 0.527 ' O ' ' HA ' ' A' ' 76' ' ' GLU . 23.3 t -67.1 -36.12 81.26 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-N 116.633 -0.258 . . . . 0.0 111.545 -177.137 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 73' ' ' PHE . . . . . . . . . . . . . 56.9 t80 -80.84 -46.82 14.73 Favored 'General case' 0 C--N 1.323 -0.575 0 CA-C-O 120.577 0.227 . . . . 0.0 111.193 -177.088 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 74' ' ' LEU . . . . . . . . . . . . . 96.4 mt -83.45 -52.57 6.4 Favored 'General case' 0 C--N 1.33 -0.28 0 N-CA-C 112.061 0.393 . . . . 0.0 112.061 -174.557 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 75' ' ' PHE . . . . . . . . . . . . . 48.1 t80 -87.71 -27.71 22.23 Favored 'General case' 0 C--N 1.323 -0.562 0 CA-C-O 120.661 0.267 . . . . 0.0 110.557 -175.228 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 76' ' ' GLU . . . . . 0.527 ' HA ' ' O ' ' A' ' 72' ' ' SER . 58.7 mt-10 72.85 -56.55 0.66 Allowed 'General case' 0 N--CA 1.468 0.442 0 C-N-CA 123.887 0.875 . . . . 0.0 112.148 176.808 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . -78.59 70.18 2.71 Favored Glycine 0 N--CA 1.452 -0.245 0 C-N-CA 121.396 -0.43 . . . . 0.0 113.057 -175.985 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -92.5 170.23 9.92 Favored 'General case' 0 C--N 1.324 -0.53 0 CA-C-O 120.757 0.313 . . . . 0.0 110.98 176.932 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 79' ' ' ASP . . . . . . . . . . . . . 16.8 t70 -113.87 -5.79 13.23 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-O 121.454 0.645 . . . . 0.0 110.215 179.808 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 80' ' ' VAL . . . . . . . . . . . . . 75.2 t -97.65 134.77 34.53 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 CA-C-N 115.658 -0.701 . . . . 0.0 111.081 -177.939 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 81' ' ' HIS . . . . . . . . . . . . . 3.2 m170 -60.94 128.83 38.4 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 115.482 -0.781 . . . . 0.0 110.737 173.809 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 82' ' ' ILE . . . . . . . . . . . . . 45.3 mm -87.04 86.37 2.57 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.694 0 CA-C-O 121.684 0.754 . . . . 0.0 109.379 173.599 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 39.6 mt-10 -121.88 5.6 9.91 Favored 'General case' 0 C--N 1.32 -0.709 0 CA-C-N 114.952 -1.022 . . . . 0.0 108.839 176.603 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 84' ' ' GLY . . . . . . . . . . . . . . . 74.86 -85.64 0.77 Allowed Glycine 0 N--CA 1.442 -0.956 0 CA-C-N 114.821 -1.081 . . . . 0.0 111.599 -178.276 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 85' ' ' TYR . . . . . . . . . . . . . 90.2 m-85 -103.98 143.56 32.71 Favored 'General case' 0 C--N 1.314 -0.964 0 N-CA-C 109.137 -0.69 . . . . 0.0 109.137 -179.057 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 86' ' ' THR . . . . . . . . . . . . . 31.1 m -106.56 112.65 63.61 Favored Pre-proline 0 C--N 1.316 -0.855 0 CA-C-N 116.532 -0.303 . . . . 0.0 110.689 -175.233 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 87' ' ' PRO . . . . . . . . . . . . . 72.6 Cg_endo -79.19 -5.38 14.37 Favored 'Trans proline' 0 C--O 1.233 0.256 0 C-N-CA 122.716 2.277 . . . . 0.0 112.544 -179.065 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 88' ' ' GLU . . . . . . . . . . . . . 32.4 tt0 -95.53 137.76 34.14 Favored 'General case' 0 C--N 1.326 -0.428 0 CA-C-N 116.303 -0.408 . . . . 0.0 110.039 177.454 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 89' ' ' ASP . . . . . . . . . . . . . 14.4 p-10 -67.76 -45.96 73.43 Favored 'General case' 0 C--N 1.326 -0.438 0 CA-C-N 116.072 -0.513 . . . . 0.0 111.104 -176.502 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 2.1 tmtp? -83.57 117.4 23.11 Favored 'General case' 0 C--N 1.324 -0.53 0 N-CA-C 109.772 -0.455 . . . . 0.0 109.772 -178.776 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 91' ' ' LYS . . . . . . . . . . . . . 48.0 mttp . . . . . 0 C--O 1.246 0.875 0 CA-C-O 118.689 -0.672 . . . . 0.0 109.986 -178.429 . . . . . . . . 0 0 . 1 . 002 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 1.8 pmm? . . . . . 0 N--CA 1.483 1.211 0 CA-C-O 120.824 0.345 . . . . 0.0 110.671 . . . . . . . . . 0 0 . 1 . 002 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 13.8 m -98.72 156.1 17.01 Favored 'General case' 0 C--N 1.325 -0.463 0 CA-C-O 120.734 0.302 . . . . 0.0 110.475 -177.874 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 3' ' ' ARG . . . . . . . . . . . . . 54.7 ttp180 -122.51 92.37 3.7 Favored 'General case' 0 C--N 1.323 -0.581 0 N-CA-C 109.632 -0.507 . . . . 0.0 109.632 179.51 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 56.7 m -80.7 117.42 21.36 Favored 'General case' 0 C--N 1.323 -0.568 0 CA-C-N 115.924 -0.58 . . . . 0.0 110.865 -177.637 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 5' ' ' ILE . . . . . 0.522 ' O ' ' HA ' ' A' ' 13' ' ' ASP . 2.7 pp -127.52 173.42 12.92 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.71 0 CA-C-N 115.771 -0.65 . . . . 0.0 110.428 -177.973 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 6' ' ' PHE . . . . . . . . . . . . . 99.4 m-85 -98.11 102.85 14.71 Favored 'General case' 0 C--N 1.323 -0.584 0 N-CA-C 109.431 -0.581 . . . . 0.0 109.431 174.915 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 7' ' ' CYS . . . . . 0.414 ' SG ' ' HA ' ' A' ' 34' ' ' ILE . 53.0 t -71.83 138.51 48.35 Favored 'General case' 0 C--N 1.321 -0.638 0 CA-C-N 115.907 -0.588 . . . . 0.0 110.501 -176.754 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 2.4 p -62.47 -41.38 98.74 Favored 'General case' 0 C--N 1.325 -0.487 0 N-CA-C 111.858 0.318 . . . . 0.0 111.858 -178.633 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 9' ' ' TYR . . . . . . . . . . . . . 75.4 t80 -71.19 -27.32 63.42 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-O 120.631 0.253 . . . . 0.0 111.457 -176.181 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 7.3 mp -100.61 -25.66 14.09 Favored 'General case' 0 C--N 1.325 -0.463 0 C-N-CA 121.056 -0.258 . . . . 0.0 111.363 -178.712 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 33.3 mm-40 66.19 9.71 6.53 Favored 'General case' 0 N--CA 1.468 0.453 0 C-N-CA 123.166 0.586 . . . . 0.0 110.978 -176.309 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 56.7 mtt180 -132.07 -176.93 4.23 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 115.969 -0.56 . . . . 0.0 109.871 -177.077 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 13' ' ' ASP . . . . . 0.522 ' HA ' ' O ' ' A' ' 5' ' ' ILE . 9.3 p-10 -78.32 134.57 37.47 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-O 121.592 0.71 . . . . 0.0 111.452 -176.591 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -152.53 179.98 8.1 Favored 'General case' 0 C--N 1.322 -0.615 0 CA-C-N 114.8 -1.091 . . . . 0.0 109.777 179.995 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 15' ' ' GLU . . . . . 0.558 ' O ' ' HA ' ' A' ' 35' ' ' SER . 10.7 tp10 -80.06 129.58 34.6 Favored 'General case' 0 C--N 1.324 -0.512 0 N-CA-C 109.522 -0.548 . . . . 0.0 109.522 179.431 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . -81.28 43.45 2.89 Favored Glycine 0 N--CA 1.452 -0.26 0 C-N-CA 121.258 -0.496 . . . . 0.0 113.794 -174.926 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 17' ' ' GLN . . . . . 0.458 ' NE2' ' HG2' ' A' ' 36' ' ' LYS . 1.4 tm0? 42.67 65.98 0.84 Allowed 'General case' 0 C--O 1.237 0.415 0 C-N-CA 123.386 0.675 . . . . 0.0 112.331 175.315 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 6.8 p-10 -67.26 119.81 12.76 Favored 'General case' 0 C--N 1.323 -0.555 0 CA-C-O 120.73 0.3 . . . . 0.0 110.605 177.736 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -174.42 -73.7 0.01 OUTLIER 'General case' 0 C--N 1.332 -0.193 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.339 179.484 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 14.5 mm-40 62.11 84.57 0.14 Allowed 'General case' 0 N--CA 1.467 0.403 0 O-C-N 123.581 0.55 . . . . 0.0 110.295 -172.176 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 21' ' ' LEU . . . . . 0.421 HD12 ' N ' ' A' ' 21' ' ' LEU . 3.6 mp -93.69 -74.71 0.52 Allowed 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 115.487 -0.778 . . . . 0.0 110.797 -173.563 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 22' ' ' TYR . . . . . 0.48 ' HB2' ' HD3' ' A' ' 23' ' ' PRO . 27.2 m-85 -113.65 -50.96 0.05 OUTLIER Pre-proline 0 C--N 1.327 -0.399 0 CA-C-N 115.945 -0.57 . . . . 0.0 111.427 -178.329 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 23' ' ' PRO . . . . . 0.48 ' HD3' ' HB2' ' A' ' 22' ' ' TYR . 6.0 Cg_exo -77.63 131.87 11.7 Favored 'Trans proline' 0 C--N 1.359 1.092 0 C-N-CA 121.947 1.765 . . . . 0.0 111.815 -179.107 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 24' ' ' GLY . . . . . 0.418 ' O ' ' HG2' ' A' ' 28' ' ' LYS . . . -91.73 -90.18 1.43 Allowed Glycine 0 N--CA 1.448 -0.539 0 C-N-CA 120.822 -0.704 . . . . 0.0 112.226 -177.733 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 25' ' ' GLU . . . . . 0.43 ' HA ' ' HE2' ' A' ' 28' ' ' LYS . 48.0 mt-10 -60.46 -48.0 83.67 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-O 120.409 0.147 . . . . 0.0 110.994 -178.682 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 64.3 tp -65.49 -35.88 82.18 Favored 'General case' 0 C--N 1.326 -0.445 0 CA-C-O 121.063 0.458 . . . . 0.0 110.2 177.805 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 27' ' ' GLY . . . . . 0.431 ' CA ' ' HB2' ' A' ' 23' ' ' PRO . . . -61.77 -54.54 34.64 Favored Glycine 0 N--CA 1.45 -0.408 0 CA-C-N 115.681 -0.69 . . . . 0.0 111.978 -179.71 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 28' ' ' LYS . . . . . 0.43 ' HE2' ' HA ' ' A' ' 25' ' ' GLU . 57.9 pttt -71.43 -21.94 61.91 Favored 'General case' 0 C--N 1.327 -0.374 0 C-N-CA 120.874 -0.33 . . . . 0.0 110.935 -179.222 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 79.3 ttt180 -63.31 -31.98 73.28 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-O 121.042 0.449 . . . . 0.0 110.192 175.063 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 30' ' ' ILE . . . . . . . . . . . . . 73.5 mt -86.28 -47.11 16.54 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 CA-C-N 116.0 -0.545 . . . . 0.0 110.613 176.656 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 31' ' ' TYR . . . . . . . . . . . . . 21.9 m-85 -68.04 -19.83 64.93 Favored 'General case' 0 N--CA 1.464 0.229 0 N-CA-C 112.542 0.571 . . . . 0.0 112.542 -173.851 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 32' ' ' ASN . . . . . . . . . . . . . 35.8 p30 -69.72 -15.92 63.24 Favored 'General case' 0 C--N 1.327 -0.397 0 O-C-N 122.221 -0.299 . . . . 0.0 111.599 -177.39 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 33' ' ' GLU . . . . . 0.406 ' O ' ' HA ' ' A' ' 7' ' ' CYS . 39.9 mt-10 -137.73 22.91 2.89 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-O 120.836 0.351 . . . . 0.0 110.932 177.12 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 34' ' ' ILE . . . . . 0.414 ' HA ' ' SG ' ' A' ' 7' ' ' CYS . 17.2 mm -130.8 124.1 55.81 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 CA-C-O 121.042 0.448 . . . . 0.0 110.993 178.576 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 35' ' ' SER . . . . . 0.558 ' HA ' ' O ' ' A' ' 15' ' ' GLU . 26.9 p -80.66 161.27 24.74 Favored 'General case' 0 N--CA 1.449 -0.507 0 CA-C-N 115.548 -0.751 . . . . 0.0 110.889 178.271 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 36' ' ' LYS . . . . . 0.458 ' HG2' ' NE2' ' A' ' 17' ' ' GLN . 95.9 mttt -62.83 -30.58 71.6 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-N 115.907 -0.588 . . . . 0.0 109.805 176.542 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 13.9 m-20 -63.53 -52.75 59.81 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 115.688 -0.687 . . . . 0.0 110.036 177.451 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -62.95 -44.04 97.14 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 115.897 -0.592 . . . . 0.0 110.842 -179.409 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 39' ' ' TRP . . . . . . . . . . . . . 68.0 t-105 -60.82 -53.44 57.37 Favored 'General case' 0 C--N 1.331 -0.216 0 CA-C-N 116.079 -0.509 . . . . 0.0 110.957 -179.936 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -62.31 -44.76 95.76 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.258 -0.428 . . . . 0.0 111.167 -177.252 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 80.8 mm-40 -64.9 -37.88 89.11 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 116.633 -0.258 . . . . 0.0 111.421 -179.066 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 42' ' ' TRP . . . . . 0.455 ' CZ2' ' HB3' ' A' ' 69' ' ' GLU . 24.2 t-105 -65.09 -49.74 68.83 Favored 'General case' 0 C--N 1.33 -0.27 0 C-N-CA 120.668 -0.413 . . . . 0.0 110.713 177.113 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 43' ' ' GLN . . . . . . . . . . . . . 29.3 mm-40 -60.92 -40.11 91.95 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-O 121.064 0.459 . . . . 0.0 110.247 -179.811 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 44' ' ' HIS . . . . . . . . . . . . . 10.1 t60 -63.97 -46.86 82.78 Favored 'General case' 0 C--N 1.324 -0.519 0 CA-C-N 115.701 -0.681 . . . . 0.0 110.367 178.591 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 24.8 tptp -61.13 -44.88 96.65 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 115.686 -0.688 . . . . 0.0 110.473 178.977 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 46' ' ' GLN . . . . . 0.447 ' O ' HG13 ' A' ' 50' ' ' ILE . 25.0 tp60 -60.68 -38.92 86.55 Favored 'General case' 0 C--N 1.325 -0.464 0 CA-C-N 115.798 -0.637 . . . . 0.0 110.494 178.673 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 64.1 m -58.68 -44.12 90.17 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.856 178.52 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 48' ' ' MET . . . . . . . . . . . . . 25.9 ttt -63.06 -44.35 96.07 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 121.002 0.43 . . . . 0.0 110.524 178.785 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 8.8 mp -61.93 -37.15 83.62 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 115.935 -0.575 . . . . 0.0 111.52 -179.058 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 50' ' ' ILE . . . . . 0.447 HG13 ' O ' ' A' ' 46' ' ' GLN . 84.6 mt -61.7 -41.6 91.08 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.346 0 CA-C-N 116.292 -0.413 . . . . 0.0 110.4 176.725 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 51' ' ' ASN . . . . . . . . . . . . . 27.7 m-80 -68.62 -41.04 80.05 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.016 -0.538 . . . . 0.0 110.738 178.959 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 51.4 mm-40 -68.02 -50.1 57.45 Favored 'General case' 0 C--N 1.325 -0.465 0 CA-C-N 115.943 -0.571 . . . . 0.0 112.055 -177.954 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 50.1 mtmt -88.54 0.02 56.76 Favored 'General case' 0 C--N 1.325 -0.459 0 C-N-CA 121.13 -0.228 . . . . 0.0 111.461 -174.408 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 13.8 mptt 58.3 69.34 0.74 Allowed 'General case' 0 C--O 1.234 0.243 0 CA-C-O 121.344 0.592 . . . . 0.0 111.358 178.373 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 20.0 mt -110.15 148.18 32.27 Favored 'General case' 0 C--N 1.322 -0.613 0 CA-C-N 115.796 -0.638 . . . . 0.0 109.779 178.491 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 56' ' ' ASN . . . . . . . . . . . . . 59.9 t30 -112.37 119.08 37.05 Favored 'General case' 0 C--N 1.323 -0.58 0 N-CA-C 109.059 -0.719 . . . . 0.0 109.059 171.954 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 57' ' ' MET . . . . . . . . . . . . . 0.7 OUTLIER -84.62 65.23 8.93 Favored 'General case' 0 C--N 1.323 -0.579 0 CA-C-O 121.408 0.623 . . . . 0.0 111.979 -169.127 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 58' ' ' MET . . . . . . . . . . . . . 24.8 ptt? -133.67 -27.44 1.51 Allowed 'General case' 0 C--N 1.323 -0.566 0 CA-C-N 115.386 -0.824 . . . . 0.0 110.119 173.93 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 59' ' ' ASN . . . . . . . . . . . . . 2.1 m-20 -74.81 141.23 44.34 Favored 'General case' 0 C--O 1.236 0.35 0 CA-C-N 116.274 -0.421 . . . . 0.0 110.705 -178.062 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -63.2 -25.56 68.39 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.582 178.764 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 6.3 mm-40 -61.65 -38.4 87.56 Favored 'General case' 0 C--N 1.325 -0.461 0 CA-C-N 115.865 -0.607 . . . . 0.0 110.908 177.815 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 62' ' ' HIS . . . . . . . . . . . . . 43.5 m80 -84.32 -19.19 34.13 Favored 'General case' 0 C--N 1.324 -0.507 0 C-N-CA 120.494 -0.483 . . . . 0.0 109.881 178.302 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 63' ' ' ARG . . . . . . . . . . . . . 33.5 mmt180 -69.84 -47.46 62.61 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.381 174.892 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -66.63 -35.27 79.77 Favored 'General case' 0 C--O 1.224 -0.271 0 C-N-CA 120.997 -0.281 . . . . 0.0 110.28 177.866 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 1.3 mm? -63.07 -47.57 82.38 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-O 120.902 0.382 . . . . 0.0 110.241 175.536 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 62.2 tp -59.68 -41.19 90.12 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 115.852 -0.613 . . . . 0.0 110.432 176.721 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 67' ' ' GLU . . . . . 0.422 ' O ' HG23 ' A' ' 71' ' ' VAL . 32.4 tt0 -63.99 -52.19 60.74 Favored 'General case' 0 C--N 1.324 -0.538 0 CA-C-N 115.863 -0.608 . . . . 0.0 110.64 -179.571 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 68' ' ' GLN . . . . . . . . . . . . . 49.4 mt-30 -57.51 -50.44 73.06 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.943 178.462 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 69' ' ' GLU . . . . . 0.455 ' HB3' ' CZ2' ' A' ' 42' ' ' TRP . 8.0 mm-40 -62.23 -39.7 93.69 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-N 115.995 -0.548 . . . . 0.0 111.498 -179.643 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 70' ' ' MET . . . . . . . . . . . . . 57.0 ttp -64.25 -47.3 80.14 Favored 'General case' 0 C--N 1.324 -0.536 0 CA-C-O 120.863 0.363 . . . . 0.0 110.845 179.882 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 71' ' ' VAL . . . . . 0.422 HG23 ' O ' ' A' ' 67' ' ' GLU . 47.1 t -73.59 -12.34 15.35 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.442 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.788 -178.907 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 8.0 t -94.14 -50.48 5.27 Favored 'General case' 0 C--N 1.325 -0.459 0 CA-C-O 120.85 0.357 . . . . 0.0 110.97 178.832 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 73' ' ' PHE . . . . . . . . . . . . . 70.9 t80 -70.04 -49.24 53.25 Favored 'General case' 0 C--N 1.323 -0.572 0 CA-C-O 120.953 0.406 . . . . 0.0 111.313 -176.303 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 74' ' ' LEU . . . . . 0.412 ' HB3' ' CD1' ' A' ' 34' ' ' ILE . 77.2 mt -78.31 -55.13 5.48 Favored 'General case' 0 C--N 1.323 -0.548 0 N-CA-C 112.138 0.421 . . . . 0.0 112.138 -173.489 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 75' ' ' PHE . . . . . . . . . . . . . 52.1 t80 -98.33 -40.47 8.3 Favored 'General case' 0 C--N 1.321 -0.638 0 CA-C-O 120.907 0.384 . . . . 0.0 111.023 -174.555 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 6.4 tp10 56.73 67.9 0.93 Allowed 'General case' 0 C--N 1.326 -0.45 0 CA-C-N 115.091 -0.959 . . . . 0.0 110.874 -174.064 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . -146.62 31.36 1.51 Allowed Glycine 0 N--CA 1.445 -0.766 0 CA-C-N 114.906 -1.043 . . . . 0.0 110.829 177.172 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 78' ' ' LYS . . . . . 0.436 ' O ' ' HD2' ' A' ' 78' ' ' LYS . 2.8 pptp? -94.23 144.36 25.58 Favored 'General case' 0 C--N 1.325 -0.497 0 CA-C-N 115.394 -0.403 . . . . 0.0 111.425 -175.112 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 79' ' ' ASP . . . . . . . . . . . . . 22.3 t70 -100.92 -26.09 13.86 Favored 'General case' 0 C--N 1.322 -0.598 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.316 174.969 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 80' ' ' VAL . . . . . . . . . . . . . 16.9 t -65.39 106.17 0.63 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 115.74 -0.664 . . . . 0.0 110.587 -176.817 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 81' ' ' HIS . . . . . . . . . . . . . 36.7 m80 -68.39 131.8 45.94 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 115.771 -0.65 . . . . 0.0 110.796 -176.081 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 82' ' ' ILE . . . . . . . . . . . . . 17.6 mt -97.62 91.57 2.6 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.448 0 CA-C-N 116.424 -0.353 . . . . 0.0 110.823 -177.638 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 33.0 tt0 -118.98 -6.19 10.51 Favored 'General case' 0 C--N 1.322 -0.605 0 CA-C-O 121.348 0.594 . . . . 0.0 109.446 175.315 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 84' ' ' GLY . . . . . . . . . . . . . . . 91.95 -149.07 19.52 Favored Glycine 0 N--CA 1.444 -0.808 0 N-CA-C 111.068 -0.813 . . . . 0.0 111.068 -176.184 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 85' ' ' TYR . . . . . . . . . . . . . 88.1 m-85 61.84 -162.53 0.28 Allowed 'General case' 0 C--N 1.33 -0.254 0 CA-C-O 121.067 0.461 . . . . 0.0 111.008 176.914 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 86' ' ' THR . . . . . . . . . . . . . 9.7 t -129.48 107.74 17.39 Favored Pre-proline 0 C--N 1.32 -0.682 0 CA-C-O 121.257 0.551 . . . . 0.0 109.817 175.409 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 87' ' ' PRO . . . . . . . . . . . . . 63.8 Cg_endo -77.33 130.41 10.97 Favored 'Trans proline' 0 N--CA 1.459 -0.512 0 C-N-CA 122.37 2.046 . . . . 0.0 112.749 -178.257 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 88' ' ' GLU . . . . . . . . . . . . . 1.5 mp0 -67.73 145.45 54.73 Favored 'General case' 0 C--N 1.323 -0.553 0 CA-C-N 115.879 -0.6 . . . . 0.0 109.622 174.586 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 89' ' ' ASP . . . . . . . . . . . . . 10.1 p-10 -69.36 132.33 46.22 Favored 'General case' 0 C--N 1.325 -0.465 0 N-CA-C 109.283 -0.636 . . . . 0.0 109.283 174.984 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 90' ' ' LYS . . . . . 0.496 ' HD3' ' C ' ' A' ' 90' ' ' LYS . 5.8 tmtt? -72.92 109.82 6.76 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-O 121.349 0.595 . . . . 0.0 110.86 -171.887 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 91' ' ' LYS . . . . . . . . . . . . . 94.0 mttt . . . . . 0 C--O 1.247 0.966 0 CA-C-N 115.168 -0.924 . . . . 0.0 109.374 174.444 . . . . . . . . 0 0 . 1 . 003 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.48 1.062 0 CA-C-O 121.041 0.448 . . . . 0.0 110.246 . . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 61.1 m -111.99 150.32 30.75 Favored 'General case' 0 C--N 1.321 -0.669 0 CA-C-N 115.738 -0.664 . . . . 0.0 110.43 -179.541 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 3' ' ' ARG . . . . . . . . . . . . . 75.5 ttt180 -82.51 100.91 10.37 Favored 'General case' 0 C--N 1.326 -0.429 0 N-CA-C 109.467 -0.568 . . . . 0.0 109.467 177.996 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 11.5 p -76.36 124.07 26.94 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.313 -178.167 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 5' ' ' ILE . . . . . . . . . . . . . 2.7 pp -136.29 178.26 5.25 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.569 0 CA-C-N 115.856 -0.611 . . . . 0.0 110.401 179.828 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 6' ' ' PHE . . . . . . . . . . . . . 95.1 m-85 -112.96 101.87 9.89 Favored 'General case' 0 C--N 1.321 -0.661 0 N-CA-C 109.672 -0.492 . . . . 0.0 109.672 175.83 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 7' ' ' CYS . . . . . 0.546 ' HA ' ' O ' ' A' ' 33' ' ' GLU . 49.8 t -70.49 123.17 21.16 Favored 'General case' 0 C--N 1.323 -0.569 0 N-CA-C 109.902 -0.407 . . . . 0.0 109.902 179.954 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 11.4 p -66.66 -32.11 73.21 Favored 'General case' 0 C--N 1.322 -0.605 0 CA-C-N 116.291 -0.413 . . . . 0.0 111.968 -176.351 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 9' ' ' TYR . . . . . . . . . . . . . 89.2 t80 -65.12 -30.97 71.95 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-O 121.173 0.511 . . . . 0.0 110.61 177.263 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 85.1 mt -98.35 -29.23 13.27 Favored 'General case' 0 C--N 1.324 -0.532 0 CA-C-N 116.165 -0.47 . . . . 0.0 111.248 -176.86 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 84.4 mm-40 62.07 28.43 17.17 Favored 'General case' 0 N--CA 1.465 0.321 0 CA-C-O 121.453 0.644 . . . . 0.0 109.905 -174.923 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 20.7 mtp180 -139.42 174.14 10.82 Favored 'General case' 0 C--N 1.325 -0.498 0 CA-C-N 115.219 -0.9 . . . . 0.0 110.595 -174.273 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 18.2 t70 -68.04 127.66 33.7 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 115.983 -0.553 . . . . 0.0 109.622 175.019 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -143.78 172.42 12.86 Favored 'General case' 0 C--N 1.322 -0.626 0 CA-C-O 121.128 0.489 . . . . 0.0 111.268 -177.315 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 45.3 tt0 -100.25 132.1 45.81 Favored 'General case' 0 C--N 1.321 -0.645 0 CA-C-N 115.589 -0.732 . . . . 0.0 109.677 -179.042 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . -58.42 146.0 41.27 Favored Glycine 0 N--CA 1.448 -0.538 0 C-N-CA 120.975 -0.631 . . . . 0.0 111.618 176.002 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 17' ' ' GLN . . . . . . . . . . . . . 29.0 mt-30 -65.61 -88.36 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.447 0 CA-C-O 121.533 0.682 . . . . 0.0 111.868 -177.053 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 24.8 m-20 -142.3 -167.34 2.46 Favored 'General case' 0 C--N 1.32 -0.69 0 CA-C-N 115.405 -0.816 . . . . 0.0 109.782 -173.223 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 93.5 m-85 -107.96 177.15 4.9 Favored 'General case' 0 C--N 1.316 -0.874 0 CA-C-N 115.863 -0.608 . . . . 0.0 109.541 178.739 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 45.0 mt-30 -78.06 91.61 4.29 Favored 'General case' 0 C--N 1.322 -0.627 0 CA-C-O 120.999 0.428 . . . . 0.0 111.47 -176.765 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -98.0 -10.41 24.47 Favored 'General case' 0 C--N 1.323 -0.549 0 CA-C-N 115.753 -0.658 . . . . 0.0 111.165 178.816 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 22' ' ' TYR . . . . . 0.543 ' HB3' ' HD3' ' A' ' 23' ' ' PRO . 87.8 t80 -162.85 -53.15 0.01 OUTLIER Pre-proline 0 CA--C 1.539 0.528 0 N-CA-C 112.101 0.408 . . . . 0.0 112.101 177.101 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 23' ' ' PRO . . . . . 0.637 ' HB2' ' HA3' ' A' ' 27' ' ' GLY . 27.9 Cg_exo -65.07 148.66 89.51 Favored 'Trans proline' 0 C--N 1.354 0.828 0 C-N-CA 122.151 1.901 . . . . 0.0 112.783 -178.1 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -98.83 -109.42 2.93 Favored Glycine 0 CA--C 1.52 0.349 0 CA-C-N 116.178 -0.464 . . . . 0.0 113.266 -173.627 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 13.9 mm-40 -72.83 -43.14 63.04 Favored 'General case' 0 CA--C 1.517 -0.316 0 CA-C-O 120.837 0.351 . . . . 0.0 110.643 -175.975 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 26' ' ' LEU . . . . . 0.437 ' O ' HG13 ' A' ' 30' ' ' ILE . 51.1 tp -63.36 -34.4 77.64 Favored 'General case' 0 C--N 1.323 -0.574 0 N-CA-C 109.264 -0.643 . . . . 0.0 109.264 175.548 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 27' ' ' GLY . . . . . 0.637 ' HA3' ' HB2' ' A' ' 23' ' ' PRO . . . -59.2 -62.14 6.53 Favored Glycine 0 N--CA 1.446 -0.682 0 CA-C-N 115.195 -0.912 . . . . 0.0 112.79 179.012 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 7.0 ptpp? -57.16 -37.06 71.53 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-O 120.56 0.219 . . . . 0.0 111.038 -177.954 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 77.5 ttt180 -59.21 -45.14 91.89 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.895 0.379 . . . . 0.0 110.895 179.715 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 30' ' ' ILE . . . . . 0.437 HG13 ' O ' ' A' ' 26' ' ' LEU . 73.2 mt -72.23 -39.09 63.97 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.42 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.756 -179.286 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 31' ' ' TYR . . . . . . . . . . . . . 20.9 m-85 -63.84 -21.36 66.41 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.608 -0.269 . . . . 0.0 111.663 -179.992 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 32' ' ' ASN . . . . . . . . . . . . . 91.0 m-20 -84.15 -43.37 15.05 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 116.392 -0.367 . . . . 0.0 111.916 -178.882 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 33' ' ' GLU . . . . . 0.546 ' O ' ' HA ' ' A' ' 7' ' ' CYS . 40.0 mt-10 -112.47 -3.48 14.43 Favored 'General case' 0 C--N 1.326 -0.44 0 N-CA-C 112.544 0.572 . . . . 0.0 112.544 -168.356 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 34' ' ' ILE . . . . . . . . . . . . . 48.3 mm -120.24 136.58 56.82 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.696 0 CA-C-O 120.992 0.425 . . . . 0.0 110.408 178.379 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 9.3 t -99.28 167.98 10.32 Favored 'General case' 0 N--CA 1.444 -0.751 0 CA-C-N 115.887 -0.597 . . . . 0.0 110.283 -179.583 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 89.2 mttt -59.55 -31.27 69.27 Favored 'General case' 0 C--N 1.325 -0.48 0 CA-C-N 115.255 -0.884 . . . . 0.0 111.967 -176.001 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 36.4 t70 -63.12 -52.57 62.03 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.474 -0.33 . . . . 0.0 110.439 -178.74 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -66.87 -37.79 85.08 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.802 179.484 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 39' ' ' TRP . . . . . . . . . . . . . 76.8 t-105 -59.93 -52.12 66.75 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 115.832 -0.622 . . . . 0.0 110.947 179.026 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -69.73 -35.58 75.13 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-N 115.874 -0.603 . . . . 0.0 110.933 -179.356 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 24.3 tt0 -63.45 -54.37 37.54 Favored 'General case' 0 C--N 1.325 -0.459 0 CA-C-N 115.954 -0.566 . . . . 0.0 110.583 179.619 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 42' ' ' TRP . . . . . . . . . . . . . 33.1 t-105 -63.35 -48.28 78.6 Favored 'General case' 0 C--N 1.331 -0.203 0 CA-C-N 116.289 -0.414 . . . . 0.0 111.534 -175.207 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 43' ' ' GLN . . . . . . . . . . . . . 30.1 mt-30 -62.76 -43.99 97.36 Favored 'General case' 0 C--N 1.329 -0.293 0 C-N-CA 120.577 -0.449 . . . . 0.0 111.388 -177.276 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 44' ' ' HIS . . . . . . . . . . . . . 8.7 t-80 -66.91 -40.28 87.63 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-O 120.847 0.355 . . . . 0.0 110.321 -178.05 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 45' ' ' LYS . . . . . 0.463 ' O ' ' HG ' ' A' ' 49' ' ' LEU . 5.2 tmtm? -65.01 -47.7 76.55 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 115.943 -0.571 . . . . 0.0 109.587 177.759 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 46' ' ' GLN . . . . . . . . . . . . . 59.0 tp60 -61.87 -36.98 82.86 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 115.678 -0.692 . . . . 0.0 111.088 -179.993 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 85.4 m -57.55 -43.17 84.21 Favored 'General case' 0 C--N 1.331 -0.205 0 CA-C-O 120.838 0.351 . . . . 0.0 110.243 176.856 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 48' ' ' MET . . . . . . . . . . . . . 43.5 ttp -67.47 -34.88 78.07 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.05 -0.523 . . . . 0.0 110.656 178.128 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 49' ' ' LEU . . . . . 0.463 ' HG ' ' O ' ' A' ' 45' ' ' LYS . 75.2 mt -64.23 -48.81 74.37 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-O 121.168 0.509 . . . . 0.0 110.102 176.695 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 50' ' ' ILE . . . . . . . . . . . . . 86.0 mt -61.79 -36.92 76.58 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.394 0 CA-C-N 115.568 -0.742 . . . . 0.0 110.54 177.849 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 51' ' ' ASN . . . . . . . . . . . . . 67.2 t30 -62.98 -44.03 97.17 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 115.77 -0.65 . . . . 0.0 110.842 -178.251 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 24.6 mm-40 -76.3 -40.67 50.97 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.047 -0.524 . . . . 0.0 111.707 -179.227 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 47.4 mttp -72.0 -28.46 63.42 Favored 'General case' 0 C--N 1.323 -0.561 0 CA-C-N 116.41 -0.359 . . . . 0.0 110.887 -179.624 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 96.0 mttt 56.25 43.56 26.33 Favored 'General case' 0 N--CA 1.462 0.162 0 CA-C-N 115.734 -0.666 . . . . 0.0 110.167 -179.765 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 4.2 pp -90.06 162.39 15.36 Favored 'General case' 0 N--CA 1.452 -0.348 0 CA-C-N 115.476 -0.784 . . . . 0.0 110.763 -177.964 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 56' ' ' ASN . . . . . . . . . . . . . 38.1 t-20 -121.13 141.4 50.85 Favored 'General case' 0 C--N 1.323 -0.565 0 N-CA-C 109.869 -0.419 . . . . 0.0 109.869 179.363 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 57' ' ' MET . . . . . . . . . . . . . 0.8 OUTLIER -81.01 8.39 8.59 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.242 -0.435 . . . . 0.0 111.087 178.923 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 58' ' ' MET . . . . . . . . . . . . . 55.9 ttm -58.85 -38.38 78.62 Favored 'General case' 0 C--N 1.326 -0.455 0 CA-C-N 116.314 -0.403 . . . . 0.0 110.956 178.352 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 59' ' ' ASN . . . . . 0.422 ' O ' ' HG3' ' A' ' 63' ' ' ARG . 3.4 m-20 -91.35 142.57 27.55 Favored 'General case' 0 C--N 1.324 -0.508 0 CA-C-N 116.367 -0.379 . . . . 0.0 110.886 -179.48 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -67.81 -25.19 65.45 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.991 -178.554 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 14.2 mt-10 -52.95 -51.41 61.54 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 115.446 -0.797 . . . . 0.0 111.035 177.515 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 62' ' ' HIS . . . . . . . . . . . . . 93.7 m-70 -76.85 -23.06 52.7 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.681 -177.166 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 63' ' ' ARG . . . . . 0.422 ' HG3' ' O ' ' A' ' 59' ' ' ASN . 99.2 mtt180 -66.51 -51.56 55.39 Favored 'General case' 0 C--O 1.232 0.179 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.642 178.788 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 64' ' ' LYS . . . . . 0.401 ' CE ' ' HA ' ' A' ' 85' ' ' TYR . 16.2 pttp -68.79 -31.75 70.98 Favored 'General case' 0 C--N 1.332 -0.167 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.363 -178.161 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 58.2 tp -62.43 -45.52 92.7 Favored 'General case' 0 C--N 1.332 -0.183 0 CA-C-N 116.332 -0.395 . . . . 0.0 110.266 178.104 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 66.6 tp -59.25 -46.09 89.43 Favored 'General case' 0 N--CA 1.454 -0.271 0 CA-C-N 115.91 -0.586 . . . . 0.0 110.332 177.801 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 44.0 tt0 -61.31 -50.08 74.43 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 115.971 -0.559 . . . . 0.0 110.816 179.394 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 68' ' ' GLN . . . . . 0.409 ' HB3' HG12 ' A' ' 82' ' ' ILE . 88.0 mt-30 -59.81 -52.45 65.39 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-N 115.883 -0.599 . . . . 0.0 111.803 -179.176 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 19.8 mt-10 -66.23 -29.41 69.65 Favored 'General case' 0 C--N 1.332 -0.16 0 C-N-CA 121.003 -0.279 . . . . 0.0 111.244 -178.895 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 70' ' ' MET . . . . . . . . . . . . . 27.0 ttt -61.27 -51.48 68.75 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-O 120.955 0.407 . . . . 0.0 110.239 177.529 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 71' ' ' VAL . . . . . . . . . . . . . 59.2 t -65.87 -35.55 75.39 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.418 0 CA-C-N 115.897 -0.592 . . . . 0.0 110.581 178.657 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 72' ' ' SER . . . . . 0.492 ' O ' ' HA ' ' A' ' 76' ' ' GLU . 32.3 t -71.68 -17.91 62.21 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-N 116.051 -0.522 . . . . 0.0 111.626 -178.237 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 73' ' ' PHE . . . . . . . . . . . . . 56.1 t80 -99.69 -46.98 5.24 Favored 'General case' 0 C--N 1.324 -0.505 0 C-N-CA 120.804 -0.358 . . . . 0.0 111.235 -179.807 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 74' ' ' LEU . . . . . . . . . . . . . 95.1 mt -72.99 -48.6 35.0 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.407 -0.361 . . . . 0.0 111.307 -177.307 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 75' ' ' PHE . . . . . . . . . . . . . 97.5 m-85 -94.02 -37.44 11.65 Favored 'General case' 0 C--N 1.326 -0.455 0 CA-C-N 116.614 -0.266 . . . . 0.0 110.549 -178.992 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 76' ' ' GLU . . . . . 0.492 ' HA ' ' O ' ' A' ' 72' ' ' SER . 38.8 mt-10 72.28 -48.04 0.67 Allowed 'General case' 0 N--CA 1.47 0.525 0 C-N-CA 123.793 0.837 . . . . 0.0 112.227 177.856 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . -77.55 63.15 3.42 Favored Glycine 0 N--CA 1.45 -0.377 0 C-N-CA 121.398 -0.429 . . . . 0.0 112.849 -177.053 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 78' ' ' LYS . . . . . 0.503 ' O ' ' HD2' ' A' ' 78' ' ' LYS . 0.0 OUTLIER -103.2 158.75 16.1 Favored 'General case' 0 C--N 1.321 -0.64 0 O-C-N 122.692 -0.299 . . . . 0.0 110.256 176.718 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 79' ' ' ASP . . . . . . . . . . . . . 5.7 p-10 -111.45 4.6 19.01 Favored 'General case' 0 C--N 1.323 -0.569 0 N-CA-C 109.346 -0.613 . . . . 0.0 109.346 173.949 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 80' ' ' VAL . . . . . . . . . . . . . 47.9 t -75.05 121.67 27.07 Favored 'Isoleucine or valine' 0 N--CA 1.448 -0.54 0 CA-C-N 115.398 -0.819 . . . . 0.0 109.938 177.819 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 81' ' ' HIS . . . . . . . . . . . . . 27.2 m-70 -80.21 111.4 16.55 Favored 'General case' 0 C--N 1.319 -0.735 0 CA-C-N 116.025 -0.534 . . . . 0.0 110.732 -179.887 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 82' ' ' ILE . . . . . 0.409 HG12 ' HB3' ' A' ' 68' ' ' GLN . 9.7 mt -93.02 84.57 1.93 Allowed 'Isoleucine or valine' 0 C--N 1.32 -0.708 0 N-CA-C 108.838 -0.801 . . . . 0.0 108.838 176.001 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 41.3 mt-10 -140.72 -52.43 0.48 Allowed 'General case' 0 C--N 1.321 -0.652 0 CA-C-N 115.589 -0.732 . . . . 0.0 109.879 -174.996 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 84' ' ' GLY . . . . . . . . . . . . . . . -97.59 137.2 13.17 Favored Glycine 0 N--CA 1.441 -1.02 0 C-N-CA 120.564 -0.827 . . . . 0.0 112.453 -178.679 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 85' ' ' TYR . . . . . 0.401 ' HA ' ' CE ' ' A' ' 64' ' ' LYS . 46.3 p90 -96.87 -4.7 39.73 Favored 'General case' 0 C--N 1.322 -0.595 0 CA-C-O 121.158 0.504 . . . . 0.0 109.737 174.439 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 86' ' ' THR . . . . . 0.433 ' HA ' ' HD3' ' A' ' 87' ' ' PRO . 89.9 m -79.64 119.88 78.3 Favored Pre-proline 0 C--N 1.327 -0.398 0 CA-C-N 115.466 -0.788 . . . . 0.0 110.13 176.067 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 87' ' ' PRO . . . . . 0.433 ' HD3' ' HA ' ' A' ' 86' ' ' THR . 13.3 Cg_exo -69.29 99.27 0.69 Allowed 'Trans proline' 0 C--O 1.237 0.454 0 C-N-CA 122.646 2.231 . . . . 0.0 112.529 -179.528 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 88' ' ' GLU . . . . . . . . . . . . . 10.4 tp10 -90.23 81.9 6.06 Favored 'General case' 0 C--N 1.323 -0.584 0 N-CA-C 108.814 -0.81 . . . . 0.0 108.814 174.212 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 89' ' ' ASP . . . . . . . . . . . . . 3.0 t70 -103.56 149.96 24.39 Favored 'General case' 0 C--N 1.322 -0.618 0 CA-C-N 115.922 -0.581 . . . . 0.0 110.19 -174.165 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 90' ' ' LYS . . . . . 0.498 ' N ' ' HD2' ' A' ' 90' ' ' LYS . 10.8 mptt -110.44 -63.36 1.4 Allowed 'General case' 0 C--N 1.325 -0.485 0 CA-C-O 121.09 0.472 . . . . 0.0 110.994 -173.721 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 91' ' ' LYS . . . . . . . . . . . . . 50.7 mtmt . . . . . 0 C--O 1.25 1.116 0 CA-C-O 118.495 -0.764 . . . . 0.0 110.166 -177.448 . . . . . . . . 0 0 . 1 . 004 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 95.3 mmm . . . . . 0 N--CA 1.48 1.033 0 CA-C-O 120.797 0.332 . . . . 0.0 110.578 . . . . . . . . . 0 0 . 1 . 004 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 14.5 m -79.16 132.65 36.61 Favored 'General case' 0 N--CA 1.449 -0.477 0 N-CA-C 110.128 -0.323 . . . . 0.0 110.128 179.671 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 3' ' ' ARG . . . . . . . . . . . . . 8.5 tpm_? -81.94 92.16 6.7 Favored 'General case' 0 C--N 1.324 -0.534 0 N-CA-C 109.169 -0.678 . . . . 0.0 109.169 178.378 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 49.9 p -105.81 151.1 24.92 Favored 'General case' 0 C--N 1.321 -0.632 0 CA-C-N 115.783 -0.644 . . . . 0.0 110.944 -178.71 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 5' ' ' ILE . . . . . 0.435 HG13 ' CA ' ' A' ' 16' ' ' GLY . 2.5 pp -138.54 172.87 13.21 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.543 0 CA-C-N 115.715 -0.675 . . . . 0.0 110.288 -179.782 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 6' ' ' PHE . . . . . . . . . . . . . 96.2 m-85 -91.52 98.73 11.85 Favored 'General case' 0 C--N 1.322 -0.587 0 CA-C-O 121.124 0.488 . . . . 0.0 109.714 175.735 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 53.8 t -71.57 137.46 48.05 Favored 'General case' 0 C--N 1.324 -0.511 0 CA-C-N 115.678 -0.692 . . . . 0.0 110.437 -177.509 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 1.8 p -64.63 -46.24 83.42 Favored 'General case' 0 C--N 1.323 -0.547 0 CA-C-N 116.338 -0.392 . . . . 0.0 111.329 179.96 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 9' ' ' TYR . . . . . . . . . . . . . 74.1 t80 -70.53 -31.57 68.7 Favored 'General case' 0 C--N 1.325 -0.467 0 CA-C-N 115.781 -0.645 . . . . 0.0 111.754 -176.158 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 85.4 mt -96.87 -23.34 16.4 Favored 'General case' 0 C--N 1.326 -0.419 0 C-N-CA 120.942 -0.303 . . . . 0.0 111.475 -176.656 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 29.4 mm-40 62.52 21.24 12.5 Favored 'General case' 0 N--CA 1.47 0.567 0 C-N-CA 122.865 0.466 . . . . 0.0 111.383 -179.467 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 94.2 mtt180 -135.57 169.69 17.13 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 116.06 -0.518 . . . . 0.0 111.008 -177.051 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 13' ' ' ASP . . . . . 0.41 ' HA ' ' O ' ' A' ' 5' ' ' ILE . 23.3 t70 -80.74 106.46 12.76 Favored 'General case' 0 C--N 1.323 -0.544 0 CA-C-N 115.364 -0.834 . . . . 0.0 109.645 174.961 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -134.63 179.35 6.35 Favored 'General case' 0 C--N 1.323 -0.553 0 CA-C-N 115.805 -0.634 . . . . 0.0 110.373 -175.611 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 15' ' ' GLU . . . . . 0.566 ' O ' ' HA ' ' A' ' 35' ' ' SER . 8.0 mm-40 -52.37 128.02 24.12 Favored 'General case' 0 C--N 1.331 -0.212 0 O-C-N 123.226 0.329 . . . . 0.0 111.06 179.729 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 16' ' ' GLY . . . . . 0.435 ' CA ' HG13 ' A' ' 5' ' ' ILE . . . -93.17 46.67 2.42 Favored Glycine 0 N--CA 1.443 -0.898 0 C-N-CA 120.854 -0.689 . . . . 0.0 111.971 -179.885 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 17' ' ' GLN . . . . . 0.411 ' HB3' ' H ' ' A' ' 18' ' ' ASP . 0.9 OUTLIER 57.87 -152.75 0.39 Allowed 'General case' 0 N--CA 1.454 -0.273 0 O-C-N 124.037 0.493 . . . . 0.0 111.096 -179.822 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 18' ' ' ASP . . . . . 0.411 ' H ' ' HB3' ' A' ' 17' ' ' GLN . 4.8 m-20 -113.1 -167.9 1.25 Allowed 'General case' 0 C--N 1.323 -0.55 0 N-CA-C 109.504 -0.554 . . . . 0.0 109.504 178.563 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 19' ' ' PHE . . . . . 0.4 ' O ' ' HG ' ' A' ' 21' ' ' LEU . 96.2 m-85 -94.07 -176.14 3.91 Favored 'General case' 0 C--N 1.322 -0.624 0 CA-C-O 120.588 0.233 . . . . 0.0 110.682 -179.19 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 20' ' ' GLN . . . . . 0.535 HE22 ' HB3' ' A' ' 28' ' ' LYS . 8.3 mp0 -61.41 96.34 0.06 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 121.152 0.501 . . . . 0.0 110.788 177.834 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 21' ' ' LEU . . . . . 0.4 ' HG ' ' O ' ' A' ' 19' ' ' PHE . 0.8 OUTLIER -111.27 -3.22 15.42 Favored 'General case' 0 C--N 1.321 -0.642 0 CA-C-N 115.596 -0.729 . . . . 0.0 110.8 177.732 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 22' ' ' TYR . . . . . 0.543 ' HB3' ' HD3' ' A' ' 23' ' ' PRO . 91.9 t80 -174.04 -53.7 0.0 OUTLIER Pre-proline 0 CA--C 1.538 0.497 0 CA-C-N 115.611 -0.722 . . . . 0.0 110.802 179.408 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 23' ' ' PRO . . . . . 0.543 ' HD3' ' HB3' ' A' ' 22' ' ' TYR . 94.7 Cg_endo -86.0 145.64 8.77 Favored 'Trans proline' 0 C--N 1.354 0.834 0 C-N-CA 121.429 1.419 . . . . 0.0 112.094 178.539 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -103.44 -98.29 2.47 Favored Glycine 0 N--CA 1.446 -0.693 0 C-N-CA 120.95 -0.643 . . . . 0.0 112.498 -177.144 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 11.8 pt-20 -70.81 -39.32 73.13 Favored 'General case' 0 C--N 1.328 -0.359 0 N-CA-C 111.72 0.267 . . . . 0.0 111.72 -174.721 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 58.3 tp -69.6 -39.1 77.44 Favored 'General case' 0 C--N 1.326 -0.437 0 N-CA-C 109.361 -0.607 . . . . 0.0 109.361 178.236 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . -59.26 -54.3 39.04 Favored Glycine 0 N--CA 1.444 -0.771 0 CA-C-N 115.25 -0.886 . . . . 0.0 112.157 178.443 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 28' ' ' LYS . . . . . 0.535 ' HB3' HE22 ' A' ' 20' ' ' GLN . 18.3 ptpt -63.32 -34.35 77.5 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.748 0.274 . . . . 0.0 111.367 -176.532 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 79.8 ttt180 -61.29 -39.14 89.33 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.832 0.349 . . . . 0.0 110.392 -179.925 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 30' ' ' ILE . . . . . . . . . . . . . 57.9 mt -83.3 -45.5 18.76 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.522 0 CA-C-N 116.369 -0.378 . . . . 0.0 111.334 -179.226 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 31' ' ' TYR . . . . . . . . . . . . . 5.1 m-30 -56.83 -35.49 68.88 Favored 'General case' 0 N--CA 1.467 0.397 0 N-CA-C 112.525 0.565 . . . . 0.0 112.525 -175.5 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 32' ' ' ASN . . . . . . . . . . . . . 23.4 m-80 -71.89 -3.7 23.94 Favored 'General case' 0 C--N 1.329 -0.301 0 N-CA-C 112.181 0.437 . . . . 0.0 112.181 -176.755 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 38.7 mt-10 -139.45 11.3 2.53 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-O 120.662 0.268 . . . . 0.0 110.891 179.075 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 34' ' ' ILE . . . . . 0.417 HD11 ' O ' ' A' ' 74' ' ' LEU . 13.5 mm -135.61 124.06 38.53 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.418 0 CA-C-O 121.203 0.525 . . . . 0.0 111.087 -178.556 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 35' ' ' SER . . . . . 0.566 ' HA ' ' O ' ' A' ' 15' ' ' GLU . 13.7 m -79.63 163.98 24.16 Favored 'General case' 0 C--N 1.322 -0.607 0 CA-C-N 115.592 -0.731 . . . . 0.0 110.803 178.113 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 36' ' ' LYS . . . . . 0.409 ' HG2' ' HA ' ' A' ' 17' ' ' GLN . 87.9 mttt -59.95 -34.2 72.94 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.002 -0.545 . . . . 0.0 110.812 -177.066 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 35.3 m-20 -64.67 -47.09 79.71 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 115.947 -0.57 . . . . 0.0 110.745 -178.676 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -67.38 -39.72 85.66 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.046 -0.525 . . . . 0.0 110.806 -178.165 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 39' ' ' TRP . . . . . . . . . . . . . 59.4 t-105 -64.0 -50.59 67.93 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.062 -0.517 . . . . 0.0 110.654 178.892 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -64.02 -37.72 88.47 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 115.994 -0.548 . . . . 0.0 111.027 -178.011 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 24.7 tm0? -65.8 -49.75 67.15 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 115.899 -0.592 . . . . 0.0 110.873 -179.297 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 42' ' ' TRP . . . . . 0.472 ' NE1' ' HA ' ' A' ' 70' ' ' MET . 70.1 t-105 -67.48 -37.54 83.03 Favored 'General case' 0 C--N 1.329 -0.297 0 C-N-CA 120.65 -0.42 . . . . 0.0 111.123 -176.134 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 43' ' ' GLN . . . . . . . . . . . . . 51.8 mt-30 -64.32 -39.27 93.57 Favored 'General case' 0 C--N 1.328 -0.34 0 C-N-CA 120.567 -0.453 . . . . 0.0 110.605 176.381 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 44' ' ' HIS . . . . . . . . . . . . . 46.8 t-80 -63.08 -43.85 97.39 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 121.247 0.546 . . . . 0.0 109.539 177.181 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 17.1 tppt? -59.02 -54.72 43.89 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-N 115.318 -0.856 . . . . 0.0 110.809 177.009 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 46' ' ' GLN . . . . . 0.511 ' O ' HG13 ' A' ' 50' ' ' ILE . 54.1 tp60 -59.4 -39.77 84.47 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.009 -0.542 . . . . 0.0 111.143 -176.317 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 70.3 m -57.75 -42.42 83.9 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-O 120.845 0.355 . . . . 0.0 110.479 178.465 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 48' ' ' MET . . . . . . . . . . . . . 17.5 tmm? -63.55 -44.22 94.77 Favored 'General case' 0 C--N 1.332 -0.194 0 N-CA-C 109.877 -0.416 . . . . 0.0 109.877 177.37 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 9.9 mp -57.95 -43.14 86.23 Favored 'General case' 0 C--N 1.331 -0.239 0 CA-C-N 116.047 -0.524 . . . . 0.0 111.038 178.854 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 50' ' ' ILE . . . . . 0.511 HG13 ' O ' ' A' ' 46' ' ' GLN . 76.5 mt -59.12 -42.82 87.8 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.407 -0.36 . . . . 0.0 111.528 -179.096 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 51' ' ' ASN . . . . . . . . . . . . . 45.9 m-80 -73.17 -35.59 66.45 Favored 'General case' 0 N--CA 1.466 0.369 0 CA-C-O 120.824 0.345 . . . . 0.0 111.462 -178.376 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 7.1 mm-40 -77.78 -38.81 45.91 Favored 'General case' 0 C--N 1.321 -0.665 0 CA-C-O 120.946 0.403 . . . . 0.0 111.517 -177.858 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 67.6 mttm -80.07 -17.61 52.23 Favored 'General case' 0 C--N 1.321 -0.669 0 CA-C-N 116.266 -0.425 . . . . 0.0 110.633 178.702 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 96.5 mttt 57.65 59.93 3.03 Favored 'General case' 0 C--O 1.236 0.365 0 CA-C-N 115.627 -0.715 . . . . 0.0 110.769 -179.684 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 4.3 pp -115.15 139.03 50.25 Favored 'General case' 0 C--N 1.323 -0.574 0 CA-C-N 115.887 -0.597 . . . . 0.0 110.765 -178.98 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 56' ' ' ASN . . . . . . . . . . . . . 12.0 t30 -116.44 147.06 42.06 Favored 'General case' 0 C--N 1.321 -0.656 0 N-CA-C 109.421 -0.585 . . . . 0.0 109.421 176.757 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 57' ' ' MET . . . . . . . . . . . . . 24.3 mmt -77.66 73.28 4.23 Favored 'General case' 0 C--N 1.326 -0.455 0 CA-C-O 121.533 0.683 . . . . 0.0 110.951 -177.839 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 58' ' ' MET . . . . . . . . . . . . . 24.4 ptt? -130.03 -21.92 2.93 Favored 'General case' 0 C--N 1.321 -0.632 0 CA-C-N 115.211 -0.904 . . . . 0.0 110.006 176.866 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 59' ' ' ASN . . . . . . . . . . . . . 49.5 t-20 -118.44 129.0 55.14 Favored 'General case' 0 C--O 1.237 0.416 0 CA-C-N 115.646 -0.706 . . . . 0.0 109.166 178.606 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -61.85 -20.08 63.29 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.068 -0.514 . . . . 0.0 111.834 -177.421 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 61' ' ' GLU . . . . . 0.515 ' O ' ' HG2' ' A' ' 64' ' ' LYS . 22.0 mm-40 -55.23 -39.95 70.31 Favored 'General case' 0 C--N 1.332 -0.175 0 CA-C-O 120.874 0.369 . . . . 0.0 111.49 178.003 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 62' ' ' HIS . . . . . . . . . . . . . 98.4 m-70 -86.64 -20.22 28.16 Favored 'General case' 0 C--N 1.323 -0.555 0 C-N-CA 120.699 -0.4 . . . . 0.0 110.593 -177.83 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 63' ' ' ARG . . . . . . . . . . . . . 6.9 tpp180 -73.4 -42.74 61.75 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-N 116.097 -0.502 . . . . 0.0 109.821 174.507 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 64' ' ' LYS . . . . . 0.515 ' HG2' ' O ' ' A' ' 61' ' ' GLU . 54.7 pttt -65.92 -40.05 91.08 Favored 'General case' 0 C--O 1.225 -0.186 0 CA-C-N 116.44 -0.346 . . . . 0.0 110.235 179.383 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 1.3 mm? -60.58 -49.34 77.94 Favored 'General case' 0 C--O 1.233 0.215 0 CA-C-O 120.62 0.248 . . . . 0.0 110.763 177.52 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 7.7 tt -56.26 -44.08 79.37 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 115.998 -0.546 . . . . 0.0 110.463 177.878 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 33.1 tt0 -63.95 -46.65 83.76 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.741 -179.228 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 68' ' ' GLN . . . . . 0.501 ' HG3' ' O ' ' A' ' 64' ' ' LYS . 49.0 mt-30 -56.05 -51.94 66.04 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.033 -0.53 . . . . 0.0 111.251 179.75 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 41.6 mt-10 -68.47 -40.91 80.84 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 116.365 -0.38 . . . . 0.0 111.192 -177.507 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 70' ' ' MET . . . . . 0.472 ' HA ' ' NE1' ' A' ' 42' ' ' TRP . 52.9 ttm -61.88 -51.17 69.26 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.521 -0.309 . . . . 0.0 111.224 -179.381 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 71' ' ' VAL . . . . . . . . . . . . . 69.8 t -64.19 -34.79 71.16 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.396 0 CA-C-N 116.444 -0.344 . . . . 0.0 110.726 -179.665 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 8.3 t -67.96 -36.34 79.9 Favored 'General case' 0 C--N 1.324 -0.501 0 CA-C-O 120.589 0.233 . . . . 0.0 111.245 -178.027 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 73' ' ' PHE . . . . . . . . . . . . . 75.8 t80 -84.84 -56.88 3.35 Favored 'General case' 0 C--N 1.327 -0.37 0 C-N-CA 121.099 -0.24 . . . . 0.0 111.344 -177.428 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 74' ' ' LEU . . . . . 0.417 ' O ' HD11 ' A' ' 34' ' ' ILE . 92.7 mt -71.44 -54.71 9.75 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-O 120.989 0.423 . . . . 0.0 111.572 -174.518 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 75' ' ' PHE . . . . . . . . . . . . . 78.0 t80 -78.34 -42.62 30.05 Favored 'General case' 0 C--N 1.321 -0.665 0 CA-C-N 116.277 -0.419 . . . . 0.0 110.382 -177.098 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 9.4 tp10 62.49 92.37 0.06 Allowed 'General case' 0 C--O 1.234 0.248 0 O-C-N 124.001 0.813 . . . . 0.0 110.846 -178.93 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . 141.33 51.22 0.04 OUTLIER Glycine 0 N--CA 1.445 -0.747 0 CA-C-N 115.505 -0.77 . . . . 0.0 112.281 -179.98 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 78' ' ' LYS . . . . . 0.608 ' O ' ' HD2' ' A' ' 78' ' ' LYS . 0.0 OUTLIER -92.23 145.94 24.1 Favored 'General case' 0 C--N 1.324 -0.502 0 CA-C-O 120.98 0.419 . . . . 0.0 110.736 177.967 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 79' ' ' ASP . . . . . . . . . . . . . 2.8 m-20 -95.33 -8.89 34.49 Favored 'General case' 0 C--N 1.322 -0.603 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.692 177.422 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 80' ' ' VAL . . . . . . . . . . . . . 20.1 t -79.02 122.09 33.53 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 CA-C-N 116.03 -0.532 . . . . 0.0 110.528 -178.558 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 81' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER -75.69 129.82 37.72 Favored 'General case' 0 C--N 1.322 -0.592 0 CA-C-N 115.831 -0.622 . . . . 0.0 110.287 179.038 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 82' ' ' ILE . . . . . . . . . . . . . 17.5 mt -104.4 86.25 0.96 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.532 0 CA-C-O 120.973 0.416 . . . . 0.0 111.166 -177.463 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 1.4 mp0 -113.22 -13.61 12.95 Favored 'General case' 0 C--N 1.323 -0.58 0 CA-C-N 115.905 -0.588 . . . . 0.0 109.511 170.731 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 84' ' ' GLY . . . . . . . . . . . . . . . 86.84 -143.91 19.26 Favored Glycine 0 N--CA 1.444 -0.802 0 N-CA-C 111.095 -0.802 . . . . 0.0 111.095 -175.573 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 85' ' ' TYR . . . . . . . . . . . . . 90.3 m-85 60.03 -171.83 0.13 Allowed 'General case' 0 C--O 1.235 0.329 0 CA-C-O 121.669 0.747 . . . . 0.0 111.358 177.75 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 86' ' ' THR . . . . . . . . . . . . . 9.0 p -119.22 92.36 45.41 Favored Pre-proline 0 C--N 1.32 -0.693 0 CA-C-N 115.378 -0.828 . . . . 0.0 109.243 167.444 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 87' ' ' PRO . . . . . . . . . . . . . 3.1 Cg_exo -83.12 -59.68 0.02 OUTLIER 'Trans proline' 0 N--CA 1.458 -0.589 0 C-N-CA 122.808 2.339 . . . . 0.0 111.997 179.723 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 88' ' ' GLU . . . . . . . . . . . . . 10.0 tp10 -156.39 140.09 16.06 Favored 'General case' 0 N--CA 1.448 -0.568 0 N-CA-C 108.914 -0.773 . . . . 0.0 108.914 -179.042 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 89' ' ' ASP . . . . . . . . . . . . . 3.4 p-10 -101.11 -13.29 18.24 Favored 'General case' 0 C--N 1.325 -0.461 0 CA-C-O 121.129 0.49 . . . . 0.0 110.241 -179.525 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 16.0 tppt? -99.65 113.5 25.99 Favored 'General case' 0 C--N 1.324 -0.503 0 CA-C-N 115.717 -0.674 . . . . 0.0 110.875 -179.6 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 91' ' ' LYS . . . . . . . . . . . . . 20.9 pttp . . . . . 0 C--O 1.244 0.773 0 CA-C-O 118.252 -0.88 . . . . 0.0 109.752 175.398 . . . . . . . . 0 0 . 1 . 005 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 25.5 ptm . . . . . 0 N--CA 1.482 1.156 0 CA-C-O 120.666 0.269 . . . . 0.0 111.114 . . . . . . . . . 0 0 . 1 . 005 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 52.3 m -74.01 104.48 4.87 Favored 'General case' 0 N--CA 1.453 -0.308 0 CA-C-O 120.827 0.346 . . . . 0.0 110.078 176.227 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 3' ' ' ARG . . . . . . . . . . . . . 14.0 tpp180 -118.77 92.45 3.81 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-O 121.175 0.512 . . . . 0.0 110.131 179.039 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 5.8 p -90.24 110.72 21.76 Favored 'General case' 0 C--N 1.32 -0.709 0 CA-C-N 115.597 -0.728 . . . . 0.0 110.995 -178.042 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 5' ' ' ILE . . . . . . . . . . . . . 27.6 pt -105.18 156.63 6.17 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.528 0 CA-C-N 116.019 -0.537 . . . . 0.0 110.154 178.136 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 6' ' ' PHE . . . . . . . . . . . . . 63.6 m-85 -109.03 93.7 4.65 Favored 'General case' 0 C--N 1.32 -0.703 0 N-CA-C 108.879 -0.785 . . . . 0.0 108.879 174.747 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 7' ' ' CYS . . . . . 0.535 ' HA ' ' O ' ' A' ' 33' ' ' GLU . 37.1 m -57.45 137.78 55.81 Favored 'General case' 0 C--N 1.325 -0.487 0 CA-C-N 115.699 -0.682 . . . . 0.0 110.818 -176.835 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 1.7 p -65.07 -40.66 95.0 Favored 'General case' 0 C--N 1.319 -0.723 0 CA-C-O 120.789 0.328 . . . . 0.0 111.063 -179.738 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 9' ' ' TYR . . . . . . . . . . . . . 45.3 t80 -71.98 -37.95 69.78 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 115.984 -0.553 . . . . 0.0 111.686 -178.722 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 10' ' ' LEU . . . . . 0.408 ' HB2' ' HB2' ' A' ' 7' ' ' CYS . 93.2 mt -92.36 -33.75 14.46 Favored 'General case' 0 C--N 1.326 -0.437 0 C-N-CA 121.087 -0.245 . . . . 0.0 111.628 -174.902 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 80.9 mm-40 59.95 33.42 21.45 Favored 'General case' 0 N--CA 1.464 0.237 0 CA-C-O 121.476 0.655 . . . . 0.0 110.789 -177.056 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 12' ' ' ARG . . . . . 0.406 ' HG3' ' O ' ' A' ' 10' ' ' LEU . 43.7 mtt180 -135.55 173.45 11.7 Favored 'General case' 0 C--N 1.326 -0.434 0 N-CA-C 108.515 -0.92 . . . . 0.0 108.515 179.38 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 3.9 p-10 -82.38 129.26 34.84 Favored 'General case' 0 C--N 1.321 -0.643 0 CA-C-O 121.639 0.733 . . . . 0.0 110.238 179.366 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -140.23 179.73 6.47 Favored 'General case' 0 C--N 1.316 -0.86 0 CA-C-N 115.083 -0.962 . . . . 0.0 109.151 178.629 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 32.6 tt0 -98.24 128.0 44.47 Favored 'General case' 0 C--N 1.318 -0.77 0 N-CA-C 109.749 -0.463 . . . . 0.0 109.749 179.427 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . -61.8 145.69 48.98 Favored Glycine 0 N--CA 1.446 -0.676 0 C-N-CA 120.813 -0.708 . . . . 0.0 111.742 178.312 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 17' ' ' GLN . . . . . 0.47 ' HB3' ' HB3' ' A' ' 31' ' ' TYR . 14.1 tm0? -63.48 124.1 20.47 Favored 'General case' 0 C--N 1.321 -0.64 0 N-CA-C 109.419 -0.586 . . . . 0.0 109.419 -179.352 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 7.7 p-10 -83.09 116.83 22.48 Favored 'General case' 0 C--N 1.323 -0.556 0 CA-C-N 115.662 -0.699 . . . . 0.0 112.001 -172.92 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 86.3 m-85 70.19 115.83 0.04 OUTLIER 'General case' 0 N--CA 1.465 0.284 0 CA-C-N 114.638 -1.164 . . . . 0.0 112.651 173.566 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 53.0 mt-30 -56.59 112.56 1.31 Allowed 'General case' 0 N--CA 1.453 -0.282 0 CA-C-N 115.327 -0.851 . . . . 0.0 109.898 174.871 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 21' ' ' LEU . . . . . 0.627 ' H ' HD12 ' A' ' 21' ' ' LEU . 0.7 OUTLIER -74.1 -37.87 64.03 Favored 'General case' 0 C--N 1.321 -0.669 0 CA-C-N 115.846 -0.615 . . . . 0.0 110.803 -172.307 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 22' ' ' TYR . . . . . 0.497 ' HB3' ' HD3' ' A' ' 23' ' ' PRO . 70.2 t80 -160.88 -49.0 0.01 OUTLIER Pre-proline 0 C--N 1.325 -0.485 0 CA-C-N 116.103 -0.499 . . . . 0.0 111.52 -178.543 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 23' ' ' PRO . . . . . 0.497 ' HD3' ' HB3' ' A' ' 22' ' ' TYR . 21.4 Cg_exo -66.02 134.96 38.9 Favored 'Trans proline' 0 C--N 1.357 0.984 0 C-N-CA 121.571 1.514 . . . . 0.0 111.898 179.556 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -93.59 -95.22 1.52 Allowed Glycine 0 N--CA 1.448 -0.544 0 C-N-CA 120.899 -0.667 . . . . 0.0 112.351 -175.486 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 34.9 tt0 -57.65 -51.92 67.54 Favored 'General case' 0 C--N 1.323 -0.561 0 CA-C-O 120.899 0.381 . . . . 0.0 110.696 -178.215 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 54.6 tp -62.67 -36.97 84.62 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-N 115.854 -0.612 . . . . 0.0 110.264 178.243 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 27' ' ' GLY . . . . . 0.444 ' CA ' ' HB2' ' A' ' 23' ' ' PRO . . . -57.93 -64.29 4.48 Favored Glycine 0 N--CA 1.448 -0.52 0 CA-C-N 115.358 -0.837 . . . . 0.0 112.687 -177.537 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 61.5 pttt -66.64 -27.53 67.76 Favored 'General case' 0 C--N 1.327 -0.406 0 C-N-CA 121.051 -0.26 . . . . 0.0 111.079 -175.21 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 70.8 ttt180 -59.79 -36.99 77.85 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-O 120.941 0.401 . . . . 0.0 110.41 177.933 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 30' ' ' ILE . . . . . . . . . . . . . 62.8 mt -91.62 -47.97 14.0 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.378 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.154 179.727 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 31' ' ' TYR . . . . . 0.47 ' HB3' ' HB3' ' A' ' 17' ' ' GLN . 18.7 m-85 -63.44 -18.32 63.63 Favored 'General case' 0 N--CA 1.466 0.348 0 N-CA-C 113.19 0.811 . . . . 0.0 113.19 -172.567 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 32' ' ' ASN . . . . . . . . . . . . . 1.4 p30 -87.84 -11.43 47.89 Favored 'General case' 0 C--N 1.33 -0.282 0 C-N-CA 120.388 -0.525 . . . . 0.0 110.748 -179.548 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 33' ' ' GLU . . . . . 0.535 ' O ' ' HA ' ' A' ' 7' ' ' CYS . 43.6 mt-10 -130.27 10.5 5.33 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-O 120.909 0.385 . . . . 0.0 111.061 -178.749 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 34' ' ' ILE . . . . . 0.484 HD11 ' O ' ' A' ' 74' ' ' LEU . 6.5 mm -134.92 126.82 47.7 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-O 121.056 0.455 . . . . 0.0 110.466 178.755 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 35' ' ' SER . . . . . 0.456 ' HB2' ' SG ' ' A' ' 7' ' ' CYS . 32.9 t -70.19 155.67 40.31 Favored 'General case' 0 C--N 1.323 -0.555 0 CA-C-N 115.496 -0.774 . . . . 0.0 110.43 178.535 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 63.3 mttt -60.0 -34.32 73.18 Favored 'General case' 0 C--N 1.325 -0.471 0 CA-C-N 115.609 -0.723 . . . . 0.0 110.692 -178.31 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 4.7 p-10 -72.63 -39.84 66.91 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.613 -178.669 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -65.56 -40.11 92.44 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-O 121.002 0.429 . . . . 0.0 110.299 178.89 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 39' ' ' TRP . . . . . 0.452 ' O ' ' HG3' ' A' ' 43' ' ' GLN . 70.6 t-105 -61.93 -47.27 85.68 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 115.628 -0.715 . . . . 0.0 110.162 176.275 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -63.72 -42.3 97.95 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 115.885 -0.598 . . . . 0.0 111.655 -178.394 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 26.9 mm-40 -58.92 -41.42 87.26 Favored 'General case' 0 C--O 1.235 0.337 0 CA-C-N 116.231 -0.44 . . . . 0.0 111.284 179.759 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 42' ' ' TRP . . . . . . . . . . . . . 35.3 t-105 -67.4 -42.94 82.48 Favored 'General case' 0 C--N 1.328 -0.329 0 C-N-CA 120.742 -0.383 . . . . 0.0 110.969 179.353 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 43' ' ' GLN . . . . . 0.452 ' HG3' ' O ' ' A' ' 39' ' ' TRP . 37.4 mt-30 -59.37 -36.43 75.74 Favored 'General case' 0 C--N 1.331 -0.211 0 CA-C-O 120.819 0.342 . . . . 0.0 110.775 179.185 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 44' ' ' HIS . . . . . . . . . . . . . 23.3 t-80 -58.92 -51.15 71.25 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 115.863 -0.608 . . . . 0.0 110.404 177.921 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 18.1 tppt? -69.85 -38.19 76.39 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 115.964 -0.562 . . . . 0.0 111.12 -179.002 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 46' ' ' GLN . . . . . 0.444 ' O ' HG13 ' A' ' 50' ' ' ILE . 23.7 tp60 -61.85 -41.09 97.41 Favored 'General case' 0 C--N 1.325 -0.5 0 CA-C-O 120.792 0.33 . . . . 0.0 110.771 -179.625 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 33.4 m -68.18 -38.01 81.58 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.313 177.755 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 48' ' ' MET . . . . . . . . . . . . . 27.7 ttt -61.08 -41.22 96.24 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 116.089 -0.505 . . . . 0.0 110.064 176.333 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 4.9 mp -56.83 -40.35 75.89 Favored 'General case' 0 N--CA 1.462 0.174 0 CA-C-N 115.944 -0.571 . . . . 0.0 111.109 175.333 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 50' ' ' ILE . . . . . 0.444 HG13 ' O ' ' A' ' 46' ' ' GLN . 68.1 mt -67.23 -38.01 80.2 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.521 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.706 179.779 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 51' ' ' ASN . . . . . . . . . . . . . 92.8 m-20 -73.96 -40.68 62.85 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-N 116.13 -0.486 . . . . 0.0 111.266 -178.92 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 49.5 mt-10 -78.9 -52.6 8.06 Favored 'General case' 0 C--N 1.327 -0.398 0 N-CA-C 111.963 0.357 . . . . 0.0 111.963 -177.743 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 48.2 mttm -96.17 -14.06 23.06 Favored 'General case' 0 C--N 1.325 -0.494 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.64 -169.552 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 34.7 mmtp 54.05 52.13 13.35 Favored 'General case' 0 C--O 1.234 0.278 0 CA-C-O 121.24 0.543 . . . . 0.0 111.1 -179.163 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 55' ' ' LEU . . . . . 0.42 ' HB2' ' HB3' ' A' ' 62' ' ' HIS . 0.3 OUTLIER -87.56 77.67 8.71 Favored 'General case' 0 C--N 1.324 -0.541 0 CA-C-O 121.467 0.651 . . . . 0.0 110.962 178.67 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 56' ' ' ASN . . . . . . . . . . . . . 18.5 m120 -65.25 135.7 55.71 Favored 'General case' 0 C--N 1.324 -0.501 0 CA-C-N 115.404 -0.816 . . . . 0.0 109.933 177.099 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 57' ' ' MET . . . . . 0.501 ' SD ' ' HA ' ' A' ' 63' ' ' ARG . 21.2 mmt -78.78 6.43 9.02 Favored 'General case' 0 C--N 1.324 -0.512 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.204 -173.495 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 58' ' ' MET . . . . . . . . . . . . . 26.0 ptt? -64.74 -21.58 66.79 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-O 121.083 0.468 . . . . 0.0 109.98 174.639 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 59' ' ' ASN . . . . . . . . . . . . . 16.0 m120 -107.17 126.82 52.89 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-N 115.787 -0.642 . . . . 0.0 109.836 176.658 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -61.64 -24.76 66.93 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-O 120.834 0.349 . . . . 0.0 111.528 -176.271 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 24.1 mt-10 -64.35 -48.14 76.69 Favored 'General case' 0 C--N 1.322 -0.614 0 CA-C-O 121.419 0.628 . . . . 0.0 110.488 176.945 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 62' ' ' HIS . . . . . 0.434 ' O ' ' HB2' ' A' ' 65' ' ' LEU . 50.8 m-70 -76.99 -26.67 54.16 Favored 'General case' 0 C--N 1.321 -0.656 0 CA-C-O 121.176 0.512 . . . . 0.0 109.645 -179.591 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 63' ' ' ARG . . . . . 0.505 ' O ' ' HD3' ' A' ' 63' ' ' ARG . 1.9 tmt_? -72.66 -37.74 67.85 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 115.86 -0.609 . . . . 0.0 110.47 179.473 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 6.1 ptpp? -69.73 -27.73 65.21 Favored 'General case' 0 C--O 1.221 -0.423 0 C-N-CA 120.292 -0.563 . . . . 0.0 110.09 177.405 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 65' ' ' LEU . . . . . 0.434 ' HB2' ' O ' ' A' ' 62' ' ' HIS . 62.7 mt -56.0 -51.87 66.21 Favored 'General case' 0 C--O 1.234 0.273 0 CA-C-O 120.803 0.335 . . . . 0.0 110.205 171.921 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 32.6 tp -49.95 -49.2 51.02 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 115.393 -0.822 . . . . 0.0 111.188 174.133 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 8.1 tp10 -64.91 -55.82 16.99 Favored 'General case' 0 C--N 1.324 -0.513 0 CA-C-N 115.817 -0.628 . . . . 0.0 111.619 -176.46 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 68' ' ' GLN . . . . . 0.465 ' NE2' HG12 ' A' ' 82' ' ' ILE . 53.2 mt-30 -62.64 -53.28 56.99 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-N 115.893 -0.594 . . . . 0.0 111.736 -174.139 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 18.3 mt-10 -67.91 -28.25 67.33 Favored 'General case' 0 C--N 1.329 -0.297 0 C-N-CA 120.837 -0.345 . . . . 0.0 111.651 -174.982 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 70' ' ' MET . . . . . . . . . . . . . 18.3 tmm? -60.27 -53.23 60.14 Favored 'General case' 0 C--O 1.234 0.243 0 N-CA-C 110.131 -0.322 . . . . 0.0 110.131 176.077 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 71' ' ' VAL . . . . . . . . . . . . . 43.7 t -63.34 -33.76 63.14 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.425 179.696 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 26.9 m -70.17 -36.86 74.98 Favored 'General case' 0 C--N 1.324 -0.532 0 CA-C-N 115.732 -0.667 . . . . 0.0 111.823 -176.18 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 73' ' ' PHE . . . . . . . . . . . . . 80.2 t80 -85.3 -40.47 16.53 Favored 'General case' 0 C--N 1.325 -0.469 0 CA-C-O 120.686 0.279 . . . . 0.0 111.341 -177.04 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 74' ' ' LEU . . . . . 0.484 ' O ' HD11 ' A' ' 34' ' ' ILE . 93.6 mt -85.89 -46.55 10.49 Favored 'General case' 0 C--N 1.324 -0.501 0 N-CA-C 112.121 0.415 . . . . 0.0 112.121 -174.206 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 75' ' ' PHE . . . . . . . . . . . . . 41.3 t80 -100.05 -25.71 14.21 Favored 'General case' 0 C--N 1.324 -0.527 0 C-N-CA 120.832 -0.347 . . . . 0.0 111.083 -173.68 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 37.3 mt-10 62.23 23.07 13.6 Favored 'General case' 0 C--O 1.236 0.35 0 CA-C-N 115.913 -0.585 . . . . 0.0 111.633 179.257 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . -146.12 80.98 0.21 Allowed Glycine 0 N--CA 1.447 -0.61 0 C-N-CA 120.426 -0.892 . . . . 0.0 112.584 -178.3 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 78' ' ' LYS . . . . . 0.408 ' O ' ' HD2' ' A' ' 78' ' ' LYS . 1.8 pptp? -124.49 152.72 43.03 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-O 120.894 0.378 . . . . 0.0 110.404 175.066 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 79' ' ' ASP . . . . . . . . . . . . . 31.8 t70 -104.43 -11.19 17.21 Favored 'General case' 0 C--N 1.323 -0.551 0 CA-C-O 121.406 0.622 . . . . 0.0 110.306 179.12 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 80' ' ' VAL . . . . . . . . . . . . . 3.7 t -80.87 92.92 2.05 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.418 0 CA-C-N 116.057 -0.519 . . . . 0.0 110.189 -179.619 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 81' ' ' HIS . . . . . . . . . . . . . 4.2 p-80 -70.42 148.59 48.18 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.115 -0.493 . . . . 0.0 111.564 -177.993 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 82' ' ' ILE . . . . . 0.465 HG12 ' NE2' ' A' ' 68' ' ' GLN . 18.7 mt -106.74 109.23 27.34 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 CA-C-N 115.797 -0.638 . . . . 0.0 110.162 -177.927 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 48.7 mt-10 -109.94 7.74 23.95 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-O 120.708 0.29 . . . . 0.0 111.408 -177.193 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 84' ' ' GLY . . . . . . . . . . . . . . . 98.39 -157.85 20.43 Favored Glycine 0 N--CA 1.447 -0.629 0 C-N-CA 120.46 -0.876 . . . . 0.0 112.062 179.125 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 85' ' ' TYR . . . . . . . . . . . . . 36.1 p90 -109.19 -5.2 16.03 Favored 'General case' 0 C--N 1.325 -0.482 0 CA-C-O 120.911 0.386 . . . . 0.0 111.255 -177.551 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 86' ' ' THR . . . . . . . . . . . . . 24.4 m -110.38 111.01 57.84 Favored Pre-proline 0 C--N 1.324 -0.5 0 CA-C-N 116.422 -0.354 . . . . 0.0 110.792 -179.951 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 87' ' ' PRO . . . . . . . . . . . . . 84.6 Cg_endo -87.05 -179.63 2.91 Favored 'Trans proline' 0 N--CA 1.458 -0.595 0 C-N-CA 122.97 2.447 . . . . 0.0 112.409 177.948 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 88' ' ' GLU . . . . . . . . . . . . . 9.6 pt-20 -143.24 165.25 27.98 Favored 'General case' 0 C--N 1.322 -0.618 0 CA-C-N 116.027 -0.533 . . . . 0.0 109.756 176.614 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 89' ' ' ASP . . . . . . . . . . . . . 34.8 m-20 -80.51 156.11 26.68 Favored 'General case' 0 C--N 1.325 -0.473 0 CA-C-O 121.169 0.509 . . . . 0.0 111.23 -174.783 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 4.2 tppp? -115.65 131.95 56.78 Favored 'General case' 0 C--N 1.324 -0.533 0 CA-C-N 115.571 -0.741 . . . . 0.0 110.101 -178.733 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 91' ' ' LYS . . . . . . . . . . . . . 54.6 mtpt . . . . . 0 C--O 1.249 1.028 0 CA-C-O 118.571 -0.728 . . . . 0.0 110.058 175.815 . . . . . . . . 0 0 . 1 . 006 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 85.3 mmm . . . . . 0 N--CA 1.483 1.185 0 CA-C-O 120.531 0.205 . . . . 0.0 110.628 . . . . . . . . . 0 0 . 1 . 006 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 34.2 m 64.27 43.65 4.72 Favored 'General case' 0 C--N 1.332 -0.175 0 CA-C-N 115.856 -0.611 . . . . 0.0 111.58 176.596 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 3' ' ' ARG . . . . . . . . . . . . . 38.3 ttm180 -81.55 91.24 6.33 Favored 'General case' 0 C--N 1.328 -0.344 0 N-CA-C 108.035 -1.098 . . . . 0.0 108.035 171.009 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 23.7 p -116.0 150.5 37.11 Favored 'General case' 0 N--CA 1.446 -0.669 0 CA-C-N 115.076 -0.965 . . . . 0.0 111.721 -170.653 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 5' ' ' ILE . . . . . . . . . . . . . 2.9 pp -131.15 152.38 37.37 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.818 0 CA-C-N 115.099 -0.955 . . . . 0.0 109.428 176.525 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 6' ' ' PHE . . . . . . . . . . . . . 54.5 t80 -78.67 107.93 11.71 Favored 'General case' 0 C--N 1.322 -0.612 0 N-CA-C 109.263 -0.643 . . . . 0.0 109.263 178.175 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 7' ' ' CYS . . . . . 0.468 ' HB2' ' HB2' ' A' ' 10' ' ' LEU . 44.5 m -70.79 127.51 32.88 Favored 'General case' 0 C--N 1.319 -0.739 0 CA-C-N 115.776 -0.647 . . . . 0.0 111.089 -176.374 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 10.0 p -66.9 -43.24 83.91 Favored 'General case' 0 C--N 1.322 -0.624 0 CA-C-O 121.231 0.538 . . . . 0.0 111.068 179.675 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 9' ' ' TYR . . . . . . . . . . . . . 76.3 t80 -81.85 -31.52 31.56 Favored 'General case' 0 C--N 1.324 -0.519 0 CA-C-N 115.921 -0.581 . . . . 0.0 111.895 -177.007 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 10' ' ' LEU . . . . . 0.468 ' HB2' ' HB2' ' A' ' 7' ' ' CYS . 90.3 mt -96.3 -21.7 17.66 Favored 'General case' 0 C--N 1.326 -0.425 0 C-N-CA 120.81 -0.356 . . . . 0.0 111.73 -175.413 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 32.1 mm-40 63.93 18.32 11.11 Favored 'General case' 0 N--CA 1.467 0.384 0 N-CA-C 112.23 0.456 . . . . 0.0 112.23 178.013 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 95.0 mtt180 -125.57 173.35 9.02 Favored 'General case' 0 C--N 1.325 -0.477 0 CA-C-O 120.754 0.312 . . . . 0.0 110.244 178.053 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 11.1 m-20 -91.59 110.85 22.18 Favored 'General case' 0 C--N 1.322 -0.603 0 CA-C-N 115.673 -0.694 . . . . 0.0 109.598 176.503 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 14' ' ' ALA . . . . . 0.448 ' HB3' ' SG ' ' A' ' 7' ' ' CYS . . . -130.75 163.73 26.66 Favored 'General case' 0 C--N 1.318 -0.795 0 CA-C-N 116.285 -0.416 . . . . 0.0 110.442 -179.036 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 43.7 tt0 -63.89 123.05 17.96 Favored 'General case' 0 C--N 1.322 -0.617 0 CA-C-N 116.125 -0.488 . . . . 0.0 110.617 -178.015 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . -65.1 149.38 51.71 Favored Glycine 0 N--CA 1.448 -0.558 0 CA-C-N 115.513 -0.767 . . . . 0.0 112.547 -177.282 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 17' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -72.14 97.74 2.0 Allowed 'General case' 0 C--N 1.323 -0.562 0 N-CA-C 109.327 -0.62 . . . . 0.0 109.327 179.216 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 18.4 t70 -90.03 4.16 51.04 Favored 'General case' 0 C--N 1.32 -0.698 0 CA-C-N 115.973 -0.558 . . . . 0.0 111.795 -170.007 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 98.5 m-85 -96.93 96.16 8.33 Favored 'General case' 0 C--N 1.322 -0.597 0 CA-C-N 116.231 -0.44 . . . . 0.0 111.426 -177.561 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 36.0 tt0 -96.56 114.71 26.39 Favored 'General case' 0 C--N 1.323 -0.566 0 N-CA-C 109.16 -0.681 . . . . 0.0 109.16 174.153 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 21' ' ' LEU . . . . . 0.403 HD13 ' H ' ' A' ' 21' ' ' LEU . 0.0 OUTLIER -141.88 1.13 1.46 Allowed 'General case' 0 C--N 1.324 -0.515 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.825 -174.128 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 22' ' ' TYR . . . . . 0.537 ' HB3' ' HD3' ' A' ' 23' ' ' PRO . 9.3 t80 -148.79 -56.59 0.02 OUTLIER Pre-proline 0 C--N 1.325 -0.488 0 C-N-CA 121.046 -0.262 . . . . 0.0 111.193 -176.948 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 23' ' ' PRO . . . . . 0.537 ' HD3' ' HB3' ' A' ' 22' ' ' TYR . 19.7 Cg_endo -95.65 147.3 1.36 Allowed 'Trans proline' 0 C--N 1.354 0.824 0 C-N-CA 122.544 2.163 . . . . 0.0 112.915 -177.317 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -95.28 -103.68 1.93 Allowed Glycine 0 N--CA 1.451 -0.365 0 C-N-CA 120.871 -0.681 . . . . 0.0 112.74 -176.765 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 15.5 tp10 -65.3 -40.31 93.65 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-O 121.113 0.483 . . . . 0.0 110.084 -179.071 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 56.7 tp -64.86 -34.07 77.51 Favored 'General case' 0 C--N 1.325 -0.492 0 CA-C-N 115.959 -0.564 . . . . 0.0 109.566 174.944 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 27' ' ' GLY . . . . . 0.535 ' CA ' ' HB2' ' A' ' 23' ' ' PRO . . . -62.51 -57.71 15.37 Favored Glycine 0 N--CA 1.445 -0.715 0 CA-C-N 115.371 -0.831 . . . . 0.0 112.299 178.751 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 12.9 ptmm? -61.74 -25.29 67.36 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-O 120.398 0.142 . . . . 0.0 111.195 -179.04 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 29' ' ' ARG . . . . . 0.42 ' O ' ' HG3' ' A' ' 33' ' ' GLU . 11.6 ttp180 -65.35 -54.88 22.38 Favored 'General case' 0 C--N 1.331 -0.201 0 N-CA-C 109.487 -0.56 . . . . 0.0 109.487 174.874 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 30' ' ' ILE . . . . . . . . . . . . . 69.0 mt -63.87 -37.36 79.53 Favored 'Isoleucine or valine' 0 C--O 1.219 -0.534 0 CA-C-N 115.791 -0.64 . . . . 0.0 110.799 -178.858 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 31' ' ' TYR . . . . . . . . . . . . . 20.7 m-30 -65.05 -26.42 68.24 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-O 121.073 0.463 . . . . 0.0 111.014 177.838 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 32' ' ' ASN . . . . . . . . . . . . . 1.8 t30 -83.58 -22.17 32.4 Favored 'General case' 0 C--N 1.321 -0.658 0 CA-C-N 115.476 -0.784 . . . . 0.0 110.871 179.723 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 33' ' ' GLU . . . . . 0.434 ' O ' ' HA ' ' A' ' 7' ' ' CYS . 41.3 mt-10 -101.82 -24.21 14.08 Favored 'General case' 0 C--N 1.325 -0.49 0 CA-C-O 121.158 0.504 . . . . 0.0 110.945 -178.73 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 34' ' ' ILE . . . . . 0.502 HG23 ' HB3' ' A' ' 38' ' ' ALA . 19.3 mm -124.81 129.62 73.52 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.542 0 CA-C-O 121.315 0.579 . . . . 0.0 111.19 -176.619 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 8.1 p -82.61 171.14 14.38 Favored 'General case' 0 C--N 1.32 -0.681 0 CA-C-N 115.416 -0.811 . . . . 0.0 111.242 178.844 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 95.3 mttt -59.5 -30.46 68.58 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-N 115.985 -0.552 . . . . 0.0 110.955 178.53 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 15.3 m-20 -63.59 -58.22 7.63 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.732 -179.279 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 38' ' ' ALA . . . . . 0.502 ' HB3' HG23 ' A' ' 34' ' ' ILE . . . -66.44 -33.31 75.41 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 115.815 -0.629 . . . . 0.0 110.902 -179.013 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 39' ' ' TRP . . . . . . . . . . . . . 75.0 t-105 -58.8 -53.09 62.35 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 115.904 -0.589 . . . . 0.0 110.53 178.127 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -67.08 -42.73 84.17 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 115.921 -0.581 . . . . 0.0 110.87 179.865 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 55.8 tt0 -55.71 -51.52 67.02 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 115.734 -0.666 . . . . 0.0 111.208 179.838 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 42' ' ' TRP . . . . . 0.452 ' HE1' ' HA ' ' A' ' 70' ' ' MET . 39.7 t-105 -66.52 -47.65 72.26 Favored 'General case' 0 N--CA 1.452 -0.366 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.089 -177.481 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 43' ' ' GLN . . . . . . . . . . . . . 82.6 mt-30 -61.66 -42.22 98.61 Favored 'General case' 0 C--N 1.325 -0.465 0 N-CA-C 111.795 0.294 . . . . 0.0 111.795 -176.723 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 44' ' ' HIS . . . . . . . . . . . . . 7.4 t-80 -66.26 -40.19 89.97 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-O 120.92 0.391 . . . . 0.0 110.406 -177.126 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 45' ' ' LYS . . . . . 0.533 ' HE3' HD11 ' A' ' 49' ' ' LEU . 2.1 tmmm? -73.1 -39.17 66.02 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.029 178.981 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 46' ' ' GLN . . . . . 0.587 ' O ' HG13 ' A' ' 50' ' ' ILE . 51.5 tp60 -65.16 -39.48 93.03 Favored 'General case' 0 C--N 1.324 -0.504 0 CA-C-N 116.333 -0.394 . . . . 0.0 110.527 -179.844 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 32.7 m -61.53 -38.02 85.89 Favored 'General case' 0 C--N 1.328 -0.342 0 N-CA-C 109.95 -0.389 . . . . 0.0 109.95 176.582 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 48' ' ' MET . . . . . 0.488 ' HB3' ' O ' ' A' ' 45' ' ' LYS . 37.0 ttm -57.44 -48.85 78.06 Favored 'General case' 0 C--N 1.332 -0.192 0 CA-C-N 115.93 -0.577 . . . . 0.0 109.89 173.809 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 49' ' ' LEU . . . . . 0.533 HD11 ' HE3' ' A' ' 45' ' ' LYS . 77.8 mt -62.55 -41.02 98.64 Favored 'General case' 0 C--O 1.221 -0.436 0 CA-C-N 115.715 -0.675 . . . . 0.0 111.111 179.415 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 50' ' ' ILE . . . . . 0.587 HG13 ' O ' ' A' ' 46' ' ' GLN . 88.4 mt -58.12 -37.6 62.95 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.431 0 CA-C-O 120.65 0.262 . . . . 0.0 110.694 179.533 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 51' ' ' ASN . . . . . . . . . . . . . 81.5 m-20 -66.42 -42.79 87.24 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.632 177.94 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 35.7 mt-10 -82.54 -34.82 27.72 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-N 115.957 -0.565 . . . . 0.0 111.754 -174.056 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 99.3 mttt -76.98 -19.23 57.57 Favored 'General case' 0 C--N 1.326 -0.414 0 N-CA-C 109.972 -0.381 . . . . 0.0 109.972 176.335 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 58.0 mtpt 58.81 42.44 19.9 Favored 'General case' 0 N--CA 1.465 0.29 0 CA-C-N 115.749 -0.659 . . . . 0.0 110.201 -179.813 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 55' ' ' LEU . . . . . 0.418 HD12 HG12 ' A' ' 50' ' ' ILE . 69.6 mt -61.08 125.72 24.76 Favored 'General case' 0 C--O 1.234 0.24 0 CA-C-N 115.223 -0.898 . . . . 0.0 112.006 -175.132 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 56' ' ' ASN . . . . . . . . . . . . . 31.4 t30 -95.75 113.59 25.24 Favored 'General case' 0 C--N 1.324 -0.536 0 CA-C-N 115.289 -0.868 . . . . 0.0 109.922 174.37 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 57' ' ' MET . . . . . . . . . . . . . 1.1 mpt? -79.99 -2.38 43.78 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.515 -177.792 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 58' ' ' MET . . . . . . . . . . . . . 59.8 mtm -87.0 1.26 53.42 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-O 121.318 0.58 . . . . 0.0 110.005 177.255 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 59' ' ' ASN . . . . . . . . . . . . . 13.4 t-20 -123.73 134.86 53.61 Favored 'General case' 0 C--N 1.326 -0.443 0 CA-C-N 115.517 -0.765 . . . . 0.0 110.053 178.791 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -64.64 -34.08 77.45 Favored 'General case' 0 C--N 1.328 -0.364 0 N-CA-C 112.824 0.675 . . . . 0.0 112.824 -172.943 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 30.5 mm-40 -67.32 -36.98 82.56 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-O 120.619 0.247 . . . . 0.0 111.451 -174.082 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 62' ' ' HIS . . . . . . . . . . . . . 90.5 m-70 -81.65 -24.96 35.99 Favored 'General case' 0 C--N 1.325 -0.491 0 CA-C-O 121.196 0.522 . . . . 0.0 109.874 178.509 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 63' ' ' ARG . . . . . . . . . . . . . 44.8 tpt85 -70.76 -45.08 65.43 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 115.658 -0.701 . . . . 0.0 110.514 177.52 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 17.6 ptpt -67.74 -35.34 78.55 Favored 'General case' 0 C--N 1.332 -0.194 0 CA-C-N 116.266 -0.424 . . . . 0.0 110.047 178.605 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 66.4 tp -58.37 -40.55 82.59 Favored 'General case' 0 C--O 1.233 0.207 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.172 177.887 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 36.6 tp -58.58 -49.99 75.44 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 115.643 -0.708 . . . . 0.0 110.407 177.348 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 17.2 mm-40 -59.44 -44.21 92.98 Favored 'General case' 0 C--O 1.235 0.306 0 CA-C-O 121.371 0.605 . . . . 0.0 110.667 177.722 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 68' ' ' GLN . . . . . 0.514 ' HB3' HG12 ' A' ' 82' ' ' ILE . 61.4 mt-30 -54.07 -60.3 3.51 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-N 114.927 -1.033 . . . . 0.0 112.077 -177.513 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 17.9 pt-20 -74.49 -26.44 60.01 Favored 'General case' 0 C--N 1.328 -0.33 0 C-N-CA 120.413 -0.515 . . . . 0.0 111.483 -175.626 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 70' ' ' MET . . . . . 0.452 ' HA ' ' HE1' ' A' ' 42' ' ' TRP . 37.5 ttm -60.12 -57.53 12.45 Favored 'General case' 0 C--N 1.331 -0.209 0 CA-C-O 121.199 0.523 . . . . 0.0 110.948 177.422 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 71' ' ' VAL . . . . . . . . . . . . . 60.8 t -69.84 -30.49 44.68 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 CA-C-N 115.825 -0.625 . . . . 0.0 111.156 -177.035 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 13.3 t -68.32 -25.41 65.1 Favored 'General case' 0 C--N 1.323 -0.579 0 CA-C-O 120.642 0.258 . . . . 0.0 110.55 179.914 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 73' ' ' PHE . . . . . . . . . . . . . 59.7 t80 -89.25 -47.99 7.68 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-O 120.806 0.336 . . . . 0.0 110.63 177.861 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 74' ' ' LEU . . . . . 0.416 ' HB3' HG13 ' A' ' 34' ' ' ILE . 95.7 mt -74.96 -38.49 61.69 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.083 -0.508 . . . . 0.0 112.188 -174.571 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 75' ' ' PHE . . . . . 0.429 ' O ' ' HB2' ' A' ' 76' ' ' GLU . 88.3 t80 -104.6 -39.22 6.46 Favored 'General case' 0 C--N 1.326 -0.452 0 C-N-CA 121.197 -0.201 . . . . 0.0 111.433 -175.834 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 76' ' ' GLU . . . . . 0.429 ' HB2' ' O ' ' A' ' 75' ' ' PHE . 22.7 mm-40 68.73 90.13 0.1 Allowed 'General case' 0 C--O 1.236 0.36 0 O-C-N 123.724 0.64 . . . . 0.0 110.474 -176.202 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . 135.58 65.66 0.06 OUTLIER Glycine 0 N--CA 1.447 -0.602 0 C-N-CA 120.938 -0.649 . . . . 0.0 112.183 -179.097 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 11.9 mmmt -88.85 133.22 34.34 Favored 'General case' 0 C--N 1.324 -0.518 0 CA-C-O 121.145 0.498 . . . . 0.0 111.971 -179.919 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 79' ' ' ASP . . . . . . . . . . . . . 9.1 p-10 -64.19 -48.53 75.58 Favored 'General case' 0 C--N 1.325 -0.478 0 CA-C-N 115.206 -0.906 . . . . 0.0 110.03 174.187 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 80' ' ' VAL . . . . . . . . . . . . . 65.2 t -66.13 125.54 23.54 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 115.791 -0.64 . . . . 0.0 110.145 176.401 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 81' ' ' HIS . . . . . . . . . . . . . 68.8 m-70 -78.64 117.76 20.1 Favored 'General case' 0 C--N 1.324 -0.511 0 CA-C-N 116.055 -0.52 . . . . 0.0 110.03 -179.048 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 82' ' ' ILE . . . . . 0.514 HG12 ' HB3' ' A' ' 68' ' ' GLN . 13.6 mt -69.1 116.11 9.09 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.586 0 CA-C-N 116.311 -0.404 . . . . 0.0 110.495 -177.594 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 10.2 tp10 66.87 20.26 10.57 Favored 'General case' 0 N--CA 1.468 0.427 0 CA-C-O 121.911 0.862 . . . . 0.0 109.845 -176.871 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 84' ' ' GLY . . . . . . . . . . . . . . . -145.49 28.07 1.79 Allowed Glycine 0 N--CA 1.444 -0.797 0 CA-C-N 115.481 -0.781 . . . . 0.0 111.887 178.732 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 85' ' ' TYR . . . . . . . . . . . . . 53.7 p90 -87.81 171.21 10.56 Favored 'General case' 0 C--N 1.326 -0.415 0 N-CA-C 110.126 -0.324 . . . . 0.0 110.126 -179.562 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 86' ' ' THR . . . . . . . . . . . . . 70.7 p -103.76 153.21 38.88 Favored Pre-proline 0 C--N 1.322 -0.595 0 CA-C-O 120.73 0.3 . . . . 0.0 111.214 -176.47 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 87' ' ' PRO . . . . . . . . . . . . . 24.1 Cg_exo -65.22 -15.19 48.98 Favored 'Trans proline' 0 C--N 1.346 0.406 0 C-N-CA 122.595 2.197 . . . . 0.0 111.589 174.733 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 88' ' ' GLU . . . . . . . . . . . . . 35.8 tt0 -60.84 -39.75 90.27 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 115.648 -0.706 . . . . 0.0 109.729 177.024 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 89' ' ' ASP . . . . . . . . . . . . . 19.3 t70 73.11 -69.17 0.2 Allowed 'General case' 0 N--CA 1.465 0.324 0 CA-C-N 115.109 -0.951 . . . . 0.0 112.036 173.635 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 23.9 pttm -160.51 172.52 17.06 Favored 'General case' 0 C--N 1.324 -0.501 0 CA-C-O 120.844 0.354 . . . . 0.0 110.684 -177.54 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 91' ' ' LYS . . . . . . . . . . . . . 55.8 mtpt . . . . . 0 C--O 1.245 0.832 0 CA-C-O 118.546 -0.74 . . . . 0.0 109.93 178.402 . . . . . . . . 0 0 . 1 . 007 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 66.5 mtt . . . . . 0 N--CA 1.483 1.181 0 CA-C-O 120.743 0.306 . . . . 0.0 110.838 . . . . . . . . . 0 0 . 1 . 007 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 6.5 m -73.73 109.69 7.44 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.62 179.594 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 3' ' ' ARG . . . . . . . . . . . . . 45.8 ttt180 -142.82 106.7 4.68 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-N 116.288 -0.415 . . . . 0.0 109.926 178.501 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 4' ' ' THR . . . . . 0.509 ' HA ' ' O ' ' A' ' 14' ' ' ALA . 4.3 p -101.99 127.0 49.04 Favored 'General case' 0 C--N 1.322 -0.625 0 CA-C-O 120.953 0.406 . . . . 0.0 111.519 -179.523 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 5' ' ' ILE . . . . . . . . . . . . . 2.7 pp -118.4 179.91 1.72 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 CA-C-N 115.741 -0.663 . . . . 0.0 110.608 179.129 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 6' ' ' PHE . . . . . . . . . . . . . 85.3 m-85 -97.4 100.68 12.12 Favored 'General case' 0 C--N 1.323 -0.558 0 N-CA-C 109.766 -0.457 . . . . 0.0 109.766 177.878 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 7' ' ' CYS . . . . . 0.405 ' HB3' ' HB2' ' A' ' 10' ' ' LEU . 51.3 t -77.16 138.99 39.8 Favored 'General case' 0 C--N 1.325 -0.495 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.703 -176.917 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 10.9 p -65.28 -46.84 78.84 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-N 115.78 -0.645 . . . . 0.0 112.222 -177.911 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 9' ' ' TYR . . . . . . . . . . . . . 42.3 t80 -78.97 -32.38 45.34 Favored 'General case' 0 C--N 1.323 -0.567 0 CA-C-N 116.255 -0.43 . . . . 0.0 111.097 -174.555 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 10' ' ' LEU . . . . . 0.405 ' HB2' ' HB3' ' A' ' 7' ' ' CYS . 10.9 mp -86.32 -33.12 20.7 Favored 'General case' 0 C--N 1.327 -0.393 0 C-N-CA 120.865 -0.334 . . . . 0.0 111.341 -178.77 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 84.9 mm-40 58.71 41.16 22.35 Favored 'General case' 0 N--CA 1.462 0.158 0 CA-C-O 121.535 0.683 . . . . 0.0 110.526 -177.553 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 11.7 mtp180 -146.4 -179.25 6.62 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-N 115.227 -0.897 . . . . 0.0 111.002 -179.828 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 11.0 p-10 -72.59 109.93 6.59 Favored 'General case' 0 C--N 1.325 -0.467 0 CA-C-N 114.967 -1.015 . . . . 0.0 108.709 168.765 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 14' ' ' ALA . . . . . 0.509 ' O ' ' HA ' ' A' ' 4' ' ' THR . . . -132.17 180.0 5.77 Favored 'General case' 0 C--N 1.318 -0.799 0 CA-C-N 115.942 -0.572 . . . . 0.0 111.77 -170.813 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 10.3 mt-10 -71.83 136.36 46.98 Favored 'General case' 0 C--N 1.323 -0.548 0 CA-C-N 115.842 -0.617 . . . . 0.0 110.464 -176.507 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . -80.83 11.67 39.84 Favored Glycine 0 N--CA 1.45 -0.393 0 C-N-CA 120.856 -0.687 . . . . 0.0 112.501 176.659 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 17' ' ' GLN . . . . . 0.618 ' NE2' ' H ' ' A' ' 18' ' ' ASP . 0.0 OUTLIER 61.4 -174.18 0.13 Allowed 'General case' 0 CA--C 1.53 0.192 0 C-N-CA 123.007 0.523 . . . . 0.0 110.903 179.472 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 18' ' ' ASP . . . . . 0.618 ' H ' ' NE2' ' A' ' 17' ' ' GLN . 5.5 p-10 -97.68 165.99 11.7 Favored 'General case' 0 C--N 1.324 -0.52 0 N-CA-C 109.219 -0.66 . . . . 0.0 109.219 174.301 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 97.8 m-85 -88.52 -164.02 1.06 Allowed 'General case' 0 C--N 1.32 -0.699 0 N-CA-C 113.13 0.789 . . . . 0.0 113.13 -165.514 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 10.8 mm100 -64.76 103.56 0.71 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 114.931 -1.031 . . . . 0.0 111.259 -173.813 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 21' ' ' LEU . . . . . 0.44 ' H ' HD12 ' A' ' 21' ' ' LEU . 0.3 OUTLIER -106.04 -18.7 13.95 Favored 'General case' 0 C--N 1.321 -0.638 0 CA-C-N 115.917 -0.583 . . . . 0.0 111.35 175.918 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 22' ' ' TYR . . . . . 0.597 ' H ' ' HD2' ' A' ' 23' ' ' PRO . 43.3 m-85 -151.52 -57.3 0.02 OUTLIER Pre-proline 0 CA--C 1.537 0.481 0 CA-C-N 115.957 -0.565 . . . . 0.0 111.794 -178.281 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 23' ' ' PRO . . . . . 0.597 ' HD2' ' H ' ' A' ' 22' ' ' TYR . 86.7 Cg_endo -78.65 174.06 12.81 Favored 'Trans proline' 0 C--N 1.359 1.124 0 C-N-CA 122.07 1.847 . . . . 0.0 113.273 -171.835 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -106.81 -128.78 6.08 Favored Glycine 0 N--CA 1.445 -0.763 0 CA-C-N 115.686 -0.688 . . . . 0.0 112.361 -179.176 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 25' ' ' GLU . . . . . 0.468 ' HA ' ' HE3' ' A' ' 28' ' ' LYS . 9.9 pt-20 -58.22 -38.44 76.82 Favored 'General case' 0 C--N 1.326 -0.439 0 N-CA-C 112.155 0.428 . . . . 0.0 112.155 -176.08 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 26' ' ' LEU . . . . . 0.529 ' O ' HG13 ' A' ' 30' ' ' ILE . 43.9 tp -67.75 -33.65 75.27 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-O 120.933 0.397 . . . . 0.0 110.147 -179.892 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . -66.31 -51.95 39.6 Favored Glycine 0 N--CA 1.448 -0.532 0 CA-C-N 115.805 -0.634 . . . . 0.0 112.623 -178.818 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 28' ' ' LYS . . . . . 0.468 ' HE3' ' HA ' ' A' ' 25' ' ' GLU . 22.6 pttp -65.67 -27.43 68.35 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-O 120.51 0.195 . . . . 0.0 110.926 -178.32 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 77.7 ttt180 -62.1 -44.81 95.85 Favored 'General case' 0 C--O 1.224 -0.243 0 N-CA-C 109.801 -0.444 . . . . 0.0 109.801 174.327 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 30' ' ' ILE . . . . . 0.529 HG13 ' O ' ' A' ' 26' ' ' LEU . 60.8 mt -64.84 -44.31 96.31 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 CA-C-N 116.279 -0.419 . . . . 0.0 110.896 179.873 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 31' ' ' TYR . . . . . . . . . . . . . 23.4 m-85 -67.58 -33.18 74.49 Favored 'General case' 0 C--N 1.324 -0.539 0 N-CA-C 112.708 0.633 . . . . 0.0 112.708 -173.236 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 32' ' ' ASN . . . . . . . . . . . . . 2.3 p-10 -90.42 0.72 57.17 Favored 'General case' 0 C--N 1.327 -0.374 0 C-N-CA 119.933 -0.707 . . . . 0.0 111.214 -178.673 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 8.8 mm-40 -109.54 -25.29 10.54 Favored 'General case' 0 C--N 1.331 -0.2 0 CA-C-O 121.245 0.545 . . . . 0.0 110.144 174.987 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 34' ' ' ILE . . . . . . . . . . . . . 26.2 mm -120.4 119.48 59.96 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.572 0 CA-C-O 121.394 0.616 . . . . 0.0 111.892 -173.686 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 35' ' ' SER . . . . . 0.478 ' CB ' ' HB1' ' A' ' 14' ' ' ALA . 5.8 t -70.76 152.85 43.35 Favored 'General case' 0 C--N 1.321 -0.647 0 CA-C-N 115.004 -0.998 . . . . 0.0 109.756 175.443 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 36' ' ' LYS . . . . . 0.527 ' HG2' ' OE1' ' A' ' 17' ' ' GLN . 53.7 mttm -55.05 -26.98 41.23 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-O 120.641 0.258 . . . . 0.0 110.817 174.568 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 37' ' ' ASP . . . . . 0.47 ' O ' ' HG3' ' A' ' 41' ' ' GLN . 29.0 t70 -53.06 -57.66 9.66 Favored 'General case' 0 C--N 1.325 -0.472 0 CA-C-N 115.993 -0.549 . . . . 0.0 110.747 173.891 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -76.35 -34.33 58.95 Favored 'General case' 0 C--N 1.326 -0.445 0 CA-C-N 115.918 -0.583 . . . . 0.0 110.941 -179.24 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 39' ' ' TRP . . . . . 0.469 ' HB3' ' HA ' ' A' ' 36' ' ' LYS . 77.0 t-105 -61.43 -47.61 84.94 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 120.807 0.336 . . . . 0.0 110.526 -179.966 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -63.13 -46.86 85.27 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 116.088 -0.505 . . . . 0.0 110.698 179.465 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 41' ' ' GLN . . . . . 0.47 ' HG3' ' O ' ' A' ' 37' ' ' ASP . 98.4 mt-30 -58.71 -49.27 78.21 Favored 'General case' 0 CA--C 1.519 -0.236 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.841 179.126 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 42' ' ' TRP . . . . . 0.454 ' HE1' ' HA ' ' A' ' 70' ' ' MET . 33.6 t-105 -65.26 -46.38 80.76 Favored 'General case' 0 C--O 1.221 -0.396 0 CA-C-N 116.478 -0.328 . . . . 0.0 111.259 -177.363 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 43' ' ' GLN . . . . . . . . . . . . . 74.4 mm-40 -62.88 -40.06 96.36 Favored 'General case' 0 C--N 1.323 -0.576 0 C-N-CA 120.973 -0.291 . . . . 0.0 111.125 179.528 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 44' ' ' HIS . . . . . . . . . . . . . 9.7 t60 -66.32 -43.26 86.68 Favored 'General case' 0 C--N 1.324 -0.506 0 CA-C-O 121.286 0.565 . . . . 0.0 110.123 179.103 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 25.5 tptp -67.3 -52.32 41.99 Favored 'General case' 0 C--N 1.323 -0.563 0 CA-C-N 115.217 -0.901 . . . . 0.0 110.55 -178.435 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 46' ' ' GLN . . . . . 0.487 ' O ' HG13 ' A' ' 50' ' ' ILE . 52.0 tp60 -61.13 -41.18 96.25 Favored 'General case' 0 C--N 1.323 -0.552 0 CA-C-N 115.652 -0.704 . . . . 0.0 111.098 -177.129 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 90.7 m -63.79 -34.12 77.2 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-O 120.872 0.367 . . . . 0.0 110.465 178.173 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 48' ' ' MET . . . . . . . . . . . . . 14.8 tpt -68.79 -41.43 78.76 Favored 'General case' 0 C--N 1.329 -0.313 0 N-CA-C 109.75 -0.463 . . . . 0.0 109.75 176.233 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 9.5 mp -60.93 -37.25 81.69 Favored 'General case' 0 C--N 1.332 -0.179 0 CA-C-N 115.867 -0.606 . . . . 0.0 110.355 174.926 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 50' ' ' ILE . . . . . 0.487 HG13 ' O ' ' A' ' 46' ' ' GLN . 81.3 mt -62.97 -30.89 50.71 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.389 0 CA-C-N 116.022 -0.535 . . . . 0.0 110.767 176.632 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 51' ' ' ASN . . . . . . . . . . . . . 94.4 m-20 -76.96 -36.76 56.28 Favored 'General case' 0 C--N 1.324 -0.527 0 CA-C-N 116.5 -0.318 . . . . 0.0 110.86 177.587 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 46.0 mt-10 -71.76 -50.81 26.65 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 121.06 0.457 . . . . 0.0 110.836 179.416 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 94.2 mttt -73.68 -21.51 60.23 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-N 115.857 -0.61 . . . . 0.0 110.405 179.434 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 42.8 mtmt 54.49 70.06 0.66 Allowed 'General case' 0 C--O 1.234 0.279 0 CA-C-N 115.415 -0.811 . . . . 0.0 110.099 -170.231 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 55' ' ' LEU . . . . . 0.45 ' HB2' HG23 ' A' ' 50' ' ' ILE . 76.8 mt -88.77 101.59 14.17 Favored 'General case' 0 C--N 1.326 -0.452 0 CA-C-N 115.366 -0.833 . . . . 0.0 110.347 -178.416 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 56' ' ' ASN . . . . . . . . . . . . . 46.6 t-20 -87.62 122.38 31.24 Favored 'General case' 0 C--N 1.318 -0.768 0 N-CA-C 108.956 -0.757 . . . . 0.0 108.956 175.987 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 57' ' ' MET . . . . . . . . . . . . . 25.7 mmt -79.16 19.94 0.53 Allowed 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.605 -175.739 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 58' ' ' MET . . . . . . . . . . . . . 27.2 ptt? -73.28 -24.38 60.43 Favored 'General case' 0 C--N 1.326 -0.448 0 CA-C-O 121.199 0.523 . . . . 0.0 109.615 173.722 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 59' ' ' ASN . . . . . . . . . . . . . 4.5 m-20 -116.2 138.04 51.62 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 115.603 -0.726 . . . . 0.0 110.247 178.062 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -65.35 -24.08 67.16 Favored 'General case' 0 C--N 1.326 -0.442 0 CA-C-N 115.927 -0.579 . . . . 0.0 111.249 -177.832 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 33.1 mt-10 -45.59 -53.39 9.18 Favored 'General case' 0 N--CA 1.465 0.316 0 O-C-N 123.664 0.603 . . . . 0.0 111.318 177.911 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 62' ' ' HIS . . . . . . . . . . . . . 78.2 m-70 -82.57 -19.98 37.46 Favored 'General case' 0 C--N 1.325 -0.478 0 CA-C-N 115.376 -0.829 . . . . 0.0 110.626 -172.623 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 63' ' ' ARG . . . . . . . . . . . . . 4.5 tmm_? -76.8 -32.01 57.35 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 116.057 -0.52 . . . . 0.0 109.758 178.661 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 7.7 mtpm? -77.31 -27.01 52.79 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.445 -0.343 . . . . 0.0 110.303 175.756 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 65' ' ' LEU . . . . . 0.495 ' O ' ' HG3' ' A' ' 69' ' ' GLU . 18.9 mt -58.87 -46.25 88.23 Favored 'General case' 0 C--N 1.329 -0.286 0 N-CA-C 109.591 -0.522 . . . . 0.0 109.591 170.373 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 52.0 tp -56.98 -43.61 81.84 Favored 'General case' 0 C--O 1.224 -0.282 0 CA-C-N 115.533 -0.758 . . . . 0.0 110.207 176.652 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 34.0 tt0 -56.07 -54.15 48.44 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 115.962 -0.563 . . . . 0.0 111.106 177.185 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 68' ' ' GLN . . . . . . . . . . . . . 77.3 mt-30 -59.09 -48.18 82.54 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 115.997 -0.547 . . . . 0.0 111.233 -177.878 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 69' ' ' GLU . . . . . 0.495 ' HG3' ' O ' ' A' ' 65' ' ' LEU . 29.8 mt-10 -66.53 -39.16 88.45 Favored 'General case' 0 C--O 1.235 0.341 0 CA-C-O 120.774 0.321 . . . . 0.0 110.479 -178.795 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 70' ' ' MET . . . . . 0.454 ' HA ' ' HE1' ' A' ' 42' ' ' TRP . 50.1 tpp -58.31 -57.21 13.89 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 115.996 -0.547 . . . . 0.0 111.023 178.797 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 71' ' ' VAL . . . . . . . . . . . . . 60.0 t -62.49 -31.99 53.75 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 115.959 -0.564 . . . . 0.0 110.382 -178.586 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 72' ' ' SER . . . . . 0.426 ' O ' ' HG2' ' A' ' 76' ' ' GLU . 32.5 t -65.1 -65.9 0.61 Allowed 'General case' 0 C--N 1.322 -0.604 0 CA-C-N 116.129 -0.487 . . . . 0.0 111.05 -179.347 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 73' ' ' PHE . . . . . . . . . . . . . 51.7 t80 -64.89 -36.76 85.39 Favored 'General case' 0 C--N 1.323 -0.55 0 N-CA-C 111.985 0.365 . . . . 0.0 111.985 -171.996 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 74' ' ' LEU . . . . . . . . . . . . . 78.0 mt -85.66 -35.18 21.07 Favored 'General case' 0 C--N 1.325 -0.462 0 N-CA-C 112.592 0.59 . . . . 0.0 112.592 -173.833 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 75' ' ' PHE . . . . . . . . . . . . . 96.3 m-85 -118.18 -43.89 2.72 Favored 'General case' 0 C--N 1.328 -0.329 0 N-CA-C 112.351 0.501 . . . . 0.0 112.351 -175.198 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 76' ' ' GLU . . . . . 0.426 ' HG2' ' O ' ' A' ' 72' ' ' SER . 19.3 mm-40 62.6 18.83 10.84 Favored 'General case' 0 N--CA 1.463 0.183 0 CA-C-O 121.21 0.528 . . . . 0.0 111.029 -171.476 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . -92.39 37.01 3.48 Favored Glycine 0 N--CA 1.445 -0.727 0 C-N-CA 120.839 -0.696 . . . . 0.0 112.128 -179.433 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 78' ' ' LYS . . . . . 0.401 ' O ' ' HD2' ' A' ' 78' ' ' LYS . 0.0 OUTLIER -124.74 161.67 25.9 Favored 'General case' 0 C--N 1.322 -0.605 0 N-CA-C 110.295 -0.261 . . . . 0.0 110.295 178.281 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 79' ' ' ASP . . . . . . . . . . . . . 2.0 p-10 -111.6 3.57 18.03 Favored 'General case' 0 C--N 1.322 -0.615 0 N-CA-C 109.645 -0.502 . . . . 0.0 109.645 174.651 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 80' ' ' VAL . . . . . . . . . . . . . 45.7 t -78.79 113.1 17.63 Favored 'Isoleucine or valine' 0 N--CA 1.45 -0.453 0 CA-C-N 115.42 -0.809 . . . . 0.0 110.351 -179.592 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 81' ' ' HIS . . . . . . . . . . . . . 45.9 m80 -82.87 117.59 22.84 Favored 'General case' 0 C--N 1.323 -0.545 0 CA-C-N 116.071 -0.513 . . . . 0.0 109.783 176.556 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 82' ' ' ILE . . . . . 0.598 ' O ' ' HG3' ' A' ' 83' ' ' GLU . 42.4 mt -76.84 109.91 11.8 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.529 0 CA-C-N 116.049 -0.523 . . . . 0.0 110.847 -174.893 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 83' ' ' GLU . . . . . 0.598 ' HG3' ' O ' ' A' ' 82' ' ' ILE . 0.2 OUTLIER 50.49 21.51 0.87 Allowed 'General case' 0 N--CA 1.476 0.844 0 C-N-CA 124.485 1.114 . . . . 0.0 112.668 -179.887 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 84' ' ' GLY . . . . . . . . . . . . . . . -99.46 134.89 11.86 Favored Glycine 0 N--CA 1.446 -0.677 0 N-CA-C 111.476 -0.65 . . . . 0.0 111.476 177.237 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 85' ' ' TYR . . . . . . . . . . . . . 60.6 m-85 -66.45 122.21 17.03 Favored 'General case' 0 C--N 1.325 -0.475 0 CA-C-O 120.939 0.399 . . . . 0.0 111.081 -177.555 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 86' ' ' THR . . . . . . . . . . . . . 34.8 p -89.28 137.31 29.29 Favored Pre-proline 0 C--N 1.322 -0.598 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.727 -179.572 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 87' ' ' PRO . . . . . . . . . . . . . 39.2 Cg_endo -66.86 99.72 0.47 Allowed 'Trans proline' 0 C--O 1.234 0.312 0 C-N-CA 122.647 2.231 . . . . 0.0 111.709 177.599 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 88' ' ' GLU . . . . . . . . . . . . . 42.9 mt-10 -104.42 -71.78 0.73 Allowed 'General case' 0 C--N 1.325 -0.458 0 CA-C-N 116.112 -0.494 . . . . 0.0 111.0 -176.367 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 89' ' ' ASP . . . . . . . . . . . . . 14.5 t70 -75.17 -38.61 60.82 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-O 120.995 0.426 . . . . 0.0 110.07 -176.618 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 27.7 mtpp -91.35 124.76 35.78 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-N 115.912 -0.586 . . . . 0.0 110.19 176.915 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 91' ' ' LYS . . . . . . . . . . . . . 14.3 mptt . . . . . 0 C--O 1.25 1.084 0 CA-C-O 118.387 -0.816 . . . . 0.0 110.079 178.002 . . . . . . . . 0 0 . 1 . 008 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.481 1.121 0 CA-C-O 120.89 0.376 . . . . 0.0 110.545 . . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 10.8 t -90.91 -146.89 0.2 Allowed 'General case' 0 C--N 1.325 -0.486 0 CA-C-N 116.005 -0.543 . . . . 0.0 109.87 -179.793 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 3' ' ' ARG . . . . . . . . . . . . . 41.7 ttm180 -79.68 134.15 36.4 Favored 'General case' 0 C--N 1.326 -0.438 0 N-CA-C 109.598 -0.519 . . . . 0.0 109.598 177.462 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -87.83 105.63 17.54 Favored 'General case' 0 C--N 1.321 -0.664 0 CA-C-O 121.505 0.669 . . . . 0.0 111.32 -177.826 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 5' ' ' ILE . . . . . 0.451 ' H ' HG13 ' A' ' 5' ' ' ILE . 2.7 pp -106.34 151.59 8.28 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.699 0 CA-C-N 115.298 -0.865 . . . . 0.0 109.56 177.757 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 6' ' ' PHE . . . . . . . . . . . . . 70.7 m-85 -87.64 108.41 19.07 Favored 'General case' 0 C--N 1.316 -0.88 0 CA-C-O 121.147 0.498 . . . . 0.0 110.279 178.043 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 7' ' ' CYS . . . . . 0.418 ' HA ' ' O ' ' A' ' 33' ' ' GLU . 54.0 t -69.23 141.91 54.34 Favored 'General case' 0 C--N 1.324 -0.531 0 CA-C-N 115.255 -0.884 . . . . 0.0 111.092 -175.964 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 2.6 p -66.89 -47.06 72.99 Favored 'General case' 0 C--N 1.321 -0.635 0 CA-C-N 115.91 -0.586 . . . . 0.0 111.606 -179.364 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 9' ' ' TYR . . . . . . . . . . . . . 64.8 t80 -69.26 -44.1 72.6 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.43 -178.801 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 10' ' ' LEU . . . . . 0.41 ' O ' ' HB2' ' A' ' 11' ' ' GLN . 89.5 mt -80.19 -34.48 37.42 Favored 'General case' 0 C--N 1.325 -0.469 0 CA-C-N 116.494 -0.321 . . . . 0.0 111.527 -175.675 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 11' ' ' GLN . . . . . 0.41 ' HB2' ' O ' ' A' ' 10' ' ' LEU . 32.0 mm-40 67.16 13.69 9.51 Favored 'General case' 0 N--CA 1.47 0.543 0 CA-C-O 121.74 0.781 . . . . 0.0 109.568 -171.586 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 11.8 tpp180 -119.73 157.9 27.61 Favored 'General case' 0 C--N 1.322 -0.593 0 CA-C-N 114.763 -1.108 . . . . 0.0 109.215 -176.509 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 6.8 p-10 -65.9 132.48 48.75 Favored 'General case' 0 C--N 1.323 -0.549 0 CA-C-O 121.036 0.445 . . . . 0.0 109.905 174.507 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -141.88 175.58 9.6 Favored 'General case' 0 C--N 1.317 -0.832 0 CA-C-N 115.668 -0.696 . . . . 0.0 109.516 179.766 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 10.8 pt-20 -94.01 145.34 24.73 Favored 'General case' 0 C--N 1.317 -0.815 0 C-N-CA 120.667 -0.413 . . . . 0.0 110.32 -179.405 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . -59.44 131.39 51.26 Favored Glycine 0 N--CA 1.448 -0.501 0 N-CA-C 110.502 -1.039 . . . . 0.0 110.502 170.753 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 17' ' ' GLN . . . . . 0.404 HE21 ' HB3' ' A' ' 17' ' ' GLN . 22.4 mt-30 -60.84 -93.11 0.0 OUTLIER 'General case' 0 C--N 1.327 -0.385 0 N-CA-C 113.035 0.754 . . . . 0.0 113.035 -172.378 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 4.5 m-20 -143.33 -173.03 3.82 Favored 'General case' 0 C--N 1.323 -0.561 0 CA-C-N 115.943 -0.571 . . . . 0.0 111.048 -170.692 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 80.1 m-85 -101.45 179.74 4.27 Favored 'General case' 0 C--N 1.322 -0.606 0 CA-C-N 115.324 -0.853 . . . . 0.0 110.018 -179.291 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 0.9 OUTLIER -67.89 99.27 0.82 Allowed 'General case' 0 C--N 1.323 -0.566 0 CA-C-N 116.42 -0.355 . . . . 0.0 110.809 -179.839 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 21' ' ' LEU . . . . . 0.673 ' H ' HD13 ' A' ' 21' ' ' LEU . 0.0 OUTLIER -102.05 -14.7 17.02 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 116.006 -0.543 . . . . 0.0 110.505 175.592 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 22' ' ' TYR . . . . . 0.544 ' HB3' ' HD3' ' A' ' 23' ' ' PRO . 66.8 t80 -169.28 -51.65 0.0 OUTLIER Pre-proline 0 CA--C 1.534 0.356 0 CA-C-N 115.746 -0.661 . . . . 0.0 111.031 177.503 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 23' ' ' PRO . . . . . 0.544 ' HD3' ' HB3' ' A' ' 22' ' ' TYR . 13.9 Cg_exo -71.27 142.1 40.69 Favored 'Trans proline' 0 C--N 1.357 1.0 0 C-N-CA 121.82 1.68 . . . . 0.0 111.666 179.622 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -86.09 -138.79 5.04 Favored Glycine 0 N--CA 1.447 -0.595 0 C-N-CA 120.793 -0.718 . . . . 0.0 112.791 -175.248 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 10.9 pt-20 -62.84 -30.89 71.85 Favored 'General case' 0 C--N 1.327 -0.382 0 N-CA-C 111.706 0.262 . . . . 0.0 111.706 -176.132 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 53.3 tp -63.05 -49.13 75.76 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-O 120.919 0.39 . . . . 0.0 110.258 178.799 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . -67.06 -38.48 92.55 Favored Glycine 0 N--CA 1.448 -0.556 0 C-N-CA 120.797 -0.716 . . . . 0.0 111.752 178.695 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 57.4 tttp -57.59 -46.6 83.82 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-O 121.062 0.458 . . . . 0.0 110.524 178.065 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 16.0 ttp180 -56.42 -45.9 80.5 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 115.744 -0.662 . . . . 0.0 109.664 178.187 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 30' ' ' ILE . . . . . . . . . . . . . 75.7 mt -63.52 -33.36 61.01 Favored 'Isoleucine or valine' 0 C--O 1.224 -0.288 0 CA-C-N 115.584 -0.734 . . . . 0.0 111.332 179.945 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 31' ' ' TYR . . . . . . . . . . . . . 23.0 m-30 -68.27 -17.78 64.37 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-O 120.747 0.308 . . . . 0.0 110.974 178.552 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 32' ' ' ASN . . . . . . . . . . . . . 45.8 m-80 -90.51 -0.65 57.75 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-N 116.363 -0.381 . . . . 0.0 111.333 174.023 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 33' ' ' GLU . . . . . 0.418 ' O ' ' HA ' ' A' ' 7' ' ' CYS . 27.2 mt-10 -122.07 -35.0 3.23 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-O 121.204 0.526 . . . . 0.0 111.314 -177.089 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 34' ' ' ILE . . . . . . . . . . . . . 30.1 mm -115.07 148.39 17.83 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.835 0 CA-C-N 115.961 -0.563 . . . . 0.0 110.038 -177.934 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 8.6 t -108.12 173.35 6.36 Favored 'General case' 0 N--CA 1.445 -0.686 0 CA-C-O 120.906 0.384 . . . . 0.0 110.107 175.647 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 84.0 mttt -55.84 -35.47 66.45 Favored 'General case' 0 C--N 1.323 -0.546 0 CA-C-N 115.252 -0.886 . . . . 0.0 112.856 -172.141 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 37' ' ' ASP . . . . . 0.522 ' O ' ' HG2' ' A' ' 41' ' ' GLN . 14.9 t70 -66.21 -59.93 3.28 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-O 120.674 0.273 . . . . 0.0 110.638 -177.809 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -60.58 -37.12 80.31 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.021 -0.536 . . . . 0.0 110.937 -179.366 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 39' ' ' TRP . . . . . 0.569 ' O ' ' HG3' ' A' ' 43' ' ' GLN . 72.8 t-105 -60.0 -53.26 59.89 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-N 115.793 -0.639 . . . . 0.0 110.47 178.068 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -64.57 -39.31 93.51 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-N 116.079 -0.51 . . . . 0.0 111.382 -178.923 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 41' ' ' GLN . . . . . 0.522 ' HG2' ' O ' ' A' ' 37' ' ' ASP . 25.9 mm-40 -67.13 -41.58 85.9 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.369 -0.378 . . . . 0.0 111.168 -177.842 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 42' ' ' TRP . . . . . 0.481 ' HE1' ' HA ' ' A' ' 70' ' ' MET . 35.0 t-105 -68.07 -40.86 82.62 Favored 'General case' 0 C--N 1.327 -0.395 0 C-N-CA 120.736 -0.385 . . . . 0.0 110.926 -178.84 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 43' ' ' GLN . . . . . 0.569 ' HG3' ' O ' ' A' ' 39' ' ' TRP . 38.7 mt-30 -63.49 -42.03 98.54 Favored 'General case' 0 C--N 1.328 -0.358 0 C-N-CA 120.723 -0.391 . . . . 0.0 109.996 178.354 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 44' ' ' HIS . . . . . . . . . . . . . 28.7 t-80 -56.5 -50.47 71.71 Favored 'General case' 0 C--N 1.326 -0.456 0 CA-C-N 115.733 -0.667 . . . . 0.0 110.277 177.975 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 45' ' ' LYS . . . . . 0.517 ' O ' ' HG ' ' A' ' 49' ' ' LEU . 57.8 tptt -63.66 -52.79 59.17 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-N 115.484 -0.78 . . . . 0.0 111.142 179.646 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 46' ' ' GLN . . . . . 0.584 ' O ' HG13 ' A' ' 50' ' ' ILE . 57.5 tp60 -59.96 -41.8 92.69 Favored 'General case' 0 C--N 1.325 -0.465 0 CA-C-N 115.983 -0.553 . . . . 0.0 111.498 -176.186 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 44.5 m -63.42 -38.56 91.61 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 120.746 0.308 . . . . 0.0 111.065 179.867 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 48' ' ' MET . . . . . . . . . . . . . 53.2 tpp -64.95 -37.73 88.62 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 121.229 0.538 . . . . 0.0 109.724 176.41 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 49' ' ' LEU . . . . . 0.517 ' HG ' ' O ' ' A' ' 45' ' ' LYS . 88.0 mt -68.6 -33.37 73.93 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 115.732 -0.667 . . . . 0.0 110.605 178.3 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 50' ' ' ILE . . . . . 0.584 HG13 ' O ' ' A' ' 46' ' ' GLN . 88.0 mt -62.79 -34.73 67.4 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 CA-C-O 120.93 0.395 . . . . 0.0 110.58 177.06 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 51' ' ' ASN . . . . . . . . . . . . . 90.7 m-20 -64.5 -39.43 93.77 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 115.979 -0.555 . . . . 0.0 110.49 177.867 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 5.9 mm-40 -82.9 -38.61 22.65 Favored 'General case' 0 C--N 1.325 -0.461 0 CA-C-N 115.54 -0.755 . . . . 0.0 111.686 -176.892 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 94.2 mttt -74.86 -25.69 59.15 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-N 116.623 -0.262 . . . . 0.0 110.664 179.051 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 38.1 mtmt 58.16 38.65 26.39 Favored 'General case' 0 C--O 1.234 0.249 0 CA-C-O 121.609 0.719 . . . . 0.0 110.334 -179.078 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 55' ' ' LEU . . . . . 0.401 ' HB2' ' HB3' ' A' ' 62' ' ' HIS . 4.6 pp -85.01 141.28 30.42 Favored 'General case' 0 N--CA 1.448 -0.528 0 CA-C-N 115.072 -0.967 . . . . 0.0 110.082 -179.783 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 56' ' ' ASN . . . . . . . . . . . . . 51.0 m-80 -117.48 146.33 43.58 Favored 'General case' 0 C--N 1.32 -0.687 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.183 178.052 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 57' ' ' MET . . . . . . . . . . . . . 1.7 mpt? -77.5 -8.32 57.61 Favored 'General case' 0 C--N 1.325 -0.477 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.447 -179.026 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 58' ' ' MET . . . . . . . . . . . . . 65.9 mtm -66.49 -28.74 68.81 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-N 115.78 -0.645 . . . . 0.0 109.766 173.388 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 59' ' ' ASN . . . . . . . . . . . . . 16.6 m120 -86.18 118.57 25.72 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-N 115.547 -0.752 . . . . 0.0 110.128 178.971 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 60' ' ' ALA . . . . . 0.427 ' O ' ' HG2' ' A' ' 64' ' ' LYS . . . -54.17 -37.15 64.13 Favored 'General case' 0 C--N 1.329 -0.308 0 O-C-N 123.386 0.429 . . . . 0.0 110.759 178.771 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 61' ' ' GLU . . . . . 0.494 ' O ' ' HB2' ' A' ' 65' ' ' LEU . 34.0 tt0 -56.37 -48.18 77.36 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 115.382 -0.826 . . . . 0.0 111.808 178.072 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 62' ' ' HIS . . . . . 0.401 ' HB3' ' HB2' ' A' ' 55' ' ' LEU . 92.7 m-70 -82.45 -33.05 28.67 Favored 'General case' 0 C--N 1.325 -0.464 0 N-CA-C 112.41 0.522 . . . . 0.0 112.41 -169.332 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 63' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -64.3 -45.14 89.26 Favored 'General case' 0 C--N 1.328 -0.349 0 C-N-CA 120.457 -0.497 . . . . 0.0 111.063 179.687 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 64' ' ' LYS . . . . . 0.506 ' O ' ' HG3' ' A' ' 68' ' ' GLN . 64.4 pttt -74.41 -28.14 60.94 Favored 'General case' 0 C--N 1.329 -0.294 0 C-N-CA 120.7 -0.4 . . . . 0.0 110.206 178.97 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 65' ' ' LEU . . . . . 0.494 ' HB2' ' O ' ' A' ' 61' ' ' GLU . 0.9 OUTLIER -63.29 -45.49 91.16 Favored 'General case' 0 C--N 1.331 -0.232 0 N-CA-C 108.954 -0.758 . . . . 0.0 108.954 176.786 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 8.1 tt -62.43 -40.01 95.17 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 115.677 -0.692 . . . . 0.0 109.858 177.581 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 30.8 tt0 -57.67 -47.94 80.89 Favored 'General case' 0 C--O 1.233 0.234 0 CA-C-N 115.862 -0.608 . . . . 0.0 109.916 175.487 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 68' ' ' GLN . . . . . 0.506 ' HG3' ' O ' ' A' ' 64' ' ' LYS . 78.2 mt-30 -58.73 -45.03 90.53 Favored 'General case' 0 N--CA 1.453 -0.323 0 CA-C-N 115.696 -0.684 . . . . 0.0 110.774 177.789 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 16.8 mt-10 -58.6 -46.88 86.07 Favored 'General case' 0 N--CA 1.463 0.191 0 CA-C-O 120.716 0.293 . . . . 0.0 110.855 179.109 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 70' ' ' MET . . . . . 0.481 ' HA ' ' HE1' ' A' ' 42' ' ' TRP . 38.2 mtt -59.28 -52.69 64.57 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.429 -0.35 . . . . 0.0 111.166 178.877 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 71' ' ' VAL . . . . . 0.446 ' O ' ' HB3' ' A' ' 75' ' ' PHE . 61.6 t -68.93 -21.12 25.36 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.509 0 CA-C-N 116.524 -0.307 . . . . 0.0 111.602 -175.964 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 72' ' ' SER . . . . . 0.433 ' O ' ' HA ' ' A' ' 76' ' ' GLU . 42.4 m -86.34 -19.29 30.01 Favored 'General case' 0 C--N 1.324 -0.527 0 O-C-N 121.875 -0.516 . . . . 0.0 111.422 179.288 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 73' ' ' PHE . . . . . . . . . . . . . 54.7 t80 -100.26 -51.6 3.61 Favored 'General case' 0 C--N 1.325 -0.494 0 CA-C-O 121.029 0.442 . . . . 0.0 110.58 178.521 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 74' ' ' LEU . . . . . . . . . . . . . 94.9 mt -73.94 -31.7 63.17 Favored 'General case' 0 C--N 1.327 -0.413 0 CA-C-N 115.896 -0.593 . . . . 0.0 111.414 -175.917 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 75' ' ' PHE . . . . . 0.535 ' O ' ' HG2' ' A' ' 76' ' ' GLU . 68.0 t80 -112.52 -43.35 3.5 Favored 'General case' 0 C--N 1.326 -0.414 0 N-CA-C 110.268 -0.271 . . . . 0.0 110.268 -178.599 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 76' ' ' GLU . . . . . 0.535 ' HG2' ' O ' ' A' ' 75' ' ' PHE . 2.6 pt-20 73.11 -28.48 0.19 Allowed 'General case' 0 N--CA 1.477 0.908 0 C-N-CA 124.945 1.298 . . . . 0.0 112.815 173.262 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . -90.14 49.74 3.3 Favored Glycine 0 N--CA 1.447 -0.619 0 C-N-CA 120.711 -0.756 . . . . 0.0 113.319 -176.79 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 78' ' ' LYS . . . . . 0.438 ' HE2' ' HB ' ' A' ' 71' ' ' VAL . 0.0 OUTLIER -118.32 145.58 44.99 Favored 'General case' 0 C--N 1.327 -0.393 0 N-CA-C 109.565 -0.532 . . . . 0.0 109.565 176.263 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 79' ' ' ASP . . . . . . . . . . . . . 16.9 p-10 -96.04 -10.35 28.68 Favored 'General case' 0 C--N 1.324 -0.516 0 N-CA-C 112.111 0.412 . . . . 0.0 112.111 -172.279 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 80' ' ' VAL . . . . . . . . . . . . . 60.7 t -68.25 108.93 1.57 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.433 0 N-CA-C 109.729 -0.471 . . . . 0.0 109.729 176.332 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 81' ' ' HIS . . . . . . . . . . . . . 50.3 m80 -77.29 138.06 39.16 Favored 'General case' 0 C--N 1.323 -0.548 0 CA-C-N 115.853 -0.612 . . . . 0.0 111.378 -173.399 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 82' ' ' ILE . . . . . . . . . . . . . 25.6 mt -95.53 89.83 2.42 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.536 0 CA-C-N 116.017 -0.538 . . . . 0.0 110.37 -179.821 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 9.4 pt-20 -140.08 -39.02 0.45 Allowed 'General case' 0 C--N 1.324 -0.531 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.758 178.924 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 84' ' ' GLY . . . . . . . . . . . . . . . 135.93 133.93 3.28 Favored Glycine 0 N--CA 1.448 -0.502 0 C-N-CA 120.251 -0.976 . . . . 0.0 112.881 175.172 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 85' ' ' TYR . . . . . . . . . . . . . 15.3 t80 56.3 91.77 0.03 OUTLIER 'General case' 0 N--CA 1.464 0.254 0 C-N-CA 123.41 0.684 . . . . 0.0 111.502 178.423 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 86' ' ' THR . . . . . . . . . . . . . 27.6 m -134.79 94.34 16.77 Favored Pre-proline 0 C--N 1.324 -0.51 0 CA-C-O 121.106 0.479 . . . . 0.0 111.266 -179.927 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 87' ' ' PRO . . . . . . . . . . . . . 55.2 Cg_endo -97.4 104.33 0.08 OUTLIER 'Trans proline' 0 N--CA 1.451 -1.009 0 C-N-CA 123.52 2.813 . . . . 0.0 111.534 173.673 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 88' ' ' GLU . . . . . . . . . . . . . 35.1 tt0 -87.35 121.85 30.34 Favored 'General case' 0 C--N 1.324 -0.537 0 CA-C-O 120.847 0.356 . . . . 0.0 110.474 -178.015 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 89' ' ' ASP . . . . . . . . . . . . . 18.4 t70 -132.69 131.28 41.11 Favored 'General case' 0 C--N 1.324 -0.518 0 CA-C-N 115.892 -0.594 . . . . 0.0 110.241 179.304 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 79.2 mttt -131.95 20.03 4.55 Favored 'General case' 0 C--N 1.325 -0.486 0 CA-C-N 116.327 -0.397 . . . . 0.0 111.426 -176.079 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 91' ' ' LYS . . . . . . . . . . . . . 49.4 mttp . . . . . 0 C--O 1.246 0.898 0 CA-C-O 118.961 -0.542 . . . . 0.0 110.464 175.75 . . . . . . . . 0 0 . 1 . 009 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 27.2 ptt? . . . . . 0 N--CA 1.482 1.165 0 N-CA-C 110.04 -0.356 . . . . 0.0 110.04 . . . . . . . . . 0 0 . 1 . 009 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 11.9 t 59.89 -157.16 0.33 Allowed 'General case' 0 C--O 1.236 0.386 0 CA-C-O 120.995 0.426 . . . . 0.0 110.903 179.071 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 3' ' ' ARG . . . . . 0.415 HH11 ' HD2' ' A' ' 3' ' ' ARG . 0.0 OUTLIER -133.98 135.75 43.68 Favored 'General case' 0 C--N 1.321 -0.648 0 N-CA-C 109.907 -0.405 . . . . 0.0 109.907 178.844 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 16.9 p -99.78 139.26 35.7 Favored 'General case' 0 C--N 1.321 -0.654 0 CA-C-O 121.071 0.462 . . . . 0.0 111.361 179.922 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 5' ' ' ILE . . . . . . . . . . . . . 43.6 pt -129.31 157.27 42.11 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.576 0 CA-C-N 115.914 -0.585 . . . . 0.0 110.245 -179.474 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 6' ' ' PHE . . . . . . . . . . . . . 88.7 m-85 -85.23 94.56 8.93 Favored 'General case' 0 C--N 1.321 -0.658 0 N-CA-C 109.522 -0.547 . . . . 0.0 109.522 173.293 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 7' ' ' CYS . . . . . 0.569 ' HA ' ' O ' ' A' ' 33' ' ' GLU . 42.1 t -68.59 123.93 22.22 Favored 'General case' 0 C--N 1.322 -0.59 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.215 -178.04 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 5.4 p -55.53 -44.28 76.55 Favored 'General case' 0 C--N 1.325 -0.499 0 CA-C-N 116.029 -0.532 . . . . 0.0 111.948 -178.022 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 9' ' ' TYR . . . . . . . . . . . . . 74.3 t80 -71.81 -31.79 66.93 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-N 115.942 -0.572 . . . . 0.0 111.577 -175.877 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 91.5 mt -94.34 -26.87 16.38 Favored 'General case' 0 C--N 1.328 -0.363 0 C-N-CA 121.002 -0.279 . . . . 0.0 111.533 -175.982 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 28.7 mm-40 66.77 16.99 10.51 Favored 'General case' 0 N--CA 1.466 0.373 0 C-N-CA 123.115 0.566 . . . . 0.0 111.659 179.79 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 59.4 mtp180 -139.5 -179.24 5.79 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.724 -0.216 . . . . 0.0 110.6 -179.8 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 7.9 m-20 -68.11 116.52 8.82 Favored 'General case' 0 C--O 1.233 0.197 0 CA-C-N 115.934 -0.575 . . . . 0.0 110.753 178.176 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -123.72 179.55 4.75 Favored 'General case' 0 C--N 1.317 -0.828 0 N-CA-C 109.127 -0.694 . . . . 0.0 109.127 175.709 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 13.1 pt-20 -96.27 140.51 30.85 Favored 'General case' 0 C--N 1.32 -0.713 0 C-N-CA 120.198 -0.601 . . . . 0.0 110.209 179.366 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . -63.8 142.13 46.19 Favored Glycine 0 N--CA 1.446 -0.695 0 C-N-CA 120.877 -0.678 . . . . 0.0 111.751 179.296 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 17' ' ' GLN . . . . . . . . . . . . . 0.6 OUTLIER -70.24 -167.89 0.19 Allowed 'General case' 0 C--N 1.325 -0.475 0 CA-C-O 121.22 0.534 . . . . 0.0 111.657 -179.114 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 1.1 t70 -76.57 -168.78 1.06 Allowed 'General case' 0 C--N 1.321 -0.645 0 CA-C-N 115.556 -0.747 . . . . 0.0 111.391 -174.35 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 99.0 m-85 -95.96 -177.05 3.89 Favored 'General case' 0 C--N 1.32 -0.676 0 CA-C-N 115.792 -0.64 . . . . 0.0 110.288 -179.254 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 8.8 mm100 -79.05 88.12 4.81 Favored 'General case' 0 C--N 1.324 -0.5 0 CA-C-O 121.223 0.535 . . . . 0.0 110.653 -177.556 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -85.27 -18.94 32.43 Favored 'General case' 0 C--N 1.323 -0.581 0 CA-C-N 115.424 -0.807 . . . . 0.0 111.235 178.338 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 22' ' ' TYR . . . . . 0.496 ' HB3' ' HD3' ' A' ' 23' ' ' PRO . 87.3 t80 -154.51 -53.08 0.02 OUTLIER Pre-proline 0 CA--C 1.537 0.48 0 N-CA-C 112.267 0.469 . . . . 0.0 112.267 -179.695 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 23' ' ' PRO . . . . . 0.497 ' HB2' ' HA3' ' A' ' 27' ' ' GLY . 12.2 Cg_exo -72.21 162.59 41.22 Favored 'Trans proline' 0 C--N 1.354 0.843 0 C-N-CA 122.02 1.813 . . . . 0.0 112.477 -176.54 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -101.52 -133.24 8.03 Favored Glycine 0 N--CA 1.446 -0.678 0 C-N-CA 120.696 -0.764 . . . . 0.0 112.277 -179.469 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 8.0 mp0 -59.48 -45.79 90.63 Favored 'General case' 0 C--N 1.327 -0.397 0 C-N-CA 122.698 0.399 . . . . 0.0 111.544 -175.79 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 60.2 tp -63.18 -46.42 87.19 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-N 115.982 -0.554 . . . . 0.0 110.951 -177.479 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 27' ' ' GLY . . . . . 0.497 ' HA3' ' HB2' ' A' ' 23' ' ' PRO . . . -67.12 -34.13 85.39 Favored Glycine 0 N--CA 1.45 -0.41 0 C-N-CA 120.616 -0.802 . . . . 0.0 111.792 -179.864 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 38.7 ttpt -62.14 -43.1 99.57 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-O 120.881 0.372 . . . . 0.0 110.022 177.198 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 19.5 ttp180 -55.09 -45.51 75.44 Favored 'General case' 0 C--N 1.333 -0.143 0 CA-C-N 115.866 -0.606 . . . . 0.0 109.866 178.328 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 30' ' ' ILE . . . . . . . . . . . . . 45.4 mt -61.15 -39.57 82.86 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.249 0 CA-C-N 115.842 -0.617 . . . . 0.0 110.751 179.013 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 31' ' ' TYR . . . . . . . . . . . . . 21.7 m-85 -74.8 -8.82 57.6 Favored 'General case' 0 C--N 1.325 -0.459 0 CA-C-O 120.76 0.314 . . . . 0.0 111.323 -179.95 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 32' ' ' ASN . . . . . . . . . . . . . 3.7 m-20 -94.48 -24.31 17.35 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.366 -0.379 . . . . 0.0 110.831 176.074 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 33' ' ' GLU . . . . . 0.569 ' O ' ' HA ' ' A' ' 7' ' ' CYS . 41.1 mt-10 -106.22 -24.89 12.19 Favored 'General case' 0 C--N 1.325 -0.491 0 CA-C-O 121.074 0.464 . . . . 0.0 111.477 -176.252 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 34' ' ' ILE . . . . . . . . . . . . . 22.6 mm -114.39 128.97 71.19 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.618 0 CA-C-O 121.256 0.55 . . . . 0.0 111.823 -176.117 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 35.5 t -78.77 167.09 21.7 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-N 115.304 -0.862 . . . . 0.0 110.273 176.979 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 83.1 mttt -60.22 -32.05 70.76 Favored 'General case' 0 C--N 1.322 -0.598 0 CA-C-N 115.654 -0.703 . . . . 0.0 109.972 178.136 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 6.5 m-20 -58.92 -61.74 2.41 Favored 'General case' 0 N--CA 1.463 0.183 0 CA-C-N 115.534 -0.757 . . . . 0.0 110.837 179.197 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -64.22 -37.25 86.81 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 115.661 -0.699 . . . . 0.0 110.951 -177.967 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 39' ' ' TRP . . . . . . . . . . . . . 67.4 t-105 -63.48 -45.9 88.62 Favored 'General case' 0 C--N 1.326 -0.439 0 CA-C-N 116.053 -0.522 . . . . 0.0 110.563 -179.29 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -71.11 -39.86 71.8 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-N 116.402 -0.363 . . . . 0.0 110.756 -179.928 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 1.0 OUTLIER -63.07 -44.77 94.87 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-N 115.967 -0.561 . . . . 0.0 110.768 -178.213 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 42' ' ' TRP . . . . . . . . . . . . . 18.9 t-105 -64.9 -43.31 93.26 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.615 -0.266 . . . . 0.0 110.899 -179.132 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 43' ' ' GLN . . . . . . . . . . . . . 48.1 mt-30 -63.44 -41.81 98.66 Favored 'General case' 0 C--N 1.329 -0.3 0 C-N-CA 121.134 -0.227 . . . . 0.0 110.583 178.977 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 44' ' ' HIS . . . . . . . . . . . . . 20.2 t60 -60.58 -46.25 90.94 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.101 178.226 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -64.86 -48.05 75.71 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-N 115.987 -0.551 . . . . 0.0 110.763 179.621 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 46' ' ' GLN . . . . . 0.575 ' O ' HG13 ' A' ' 50' ' ' ILE . 53.1 tp60 -62.8 -41.43 99.27 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 116.074 -0.512 . . . . 0.0 111.211 -177.679 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 75.0 m -59.45 -40.74 87.83 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 120.677 0.275 . . . . 0.0 110.587 178.203 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 48' ' ' MET . . . . . . . . . . . . . 15.8 tpt -58.94 -46.53 87.76 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.088 175.718 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 10.6 mp -63.95 -36.99 85.78 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 115.839 -0.619 . . . . 0.0 111.067 179.352 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 50' ' ' ILE . . . . . 0.575 HG13 ' O ' ' A' ' 46' ' ' GLN . 79.0 mt -60.93 -36.12 69.72 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.241 0 CA-C-O 120.73 0.3 . . . . 0.0 110.21 177.52 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 51' ' ' ASN . . . . . . . . . . . . . 87.3 m-20 -69.89 -50.93 37.53 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.003 -0.544 . . . . 0.0 110.567 177.747 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 42.5 mt-10 -61.25 -45.58 93.94 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 115.646 -0.706 . . . . 0.0 111.359 -177.419 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 94.0 mttt -82.48 -17.6 44.62 Favored 'General case' 0 C--N 1.325 -0.47 0 CA-C-N 116.081 -0.509 . . . . 0.0 110.836 -177.333 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 26.4 tptp 54.9 59.38 4.1 Favored 'General case' 0 CA--C 1.531 0.244 0 CA-C-O 121.615 0.721 . . . . 0.0 110.219 -178.019 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 84.1 mt -75.71 141.0 42.76 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-N 115.409 -0.814 . . . . 0.0 111.779 -174.051 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 56' ' ' ASN . . . . . . . . . . . . . 23.7 t-20 -99.94 114.4 27.63 Favored 'General case' 0 C--N 1.325 -0.493 0 CA-C-N 115.69 -0.686 . . . . 0.0 110.041 176.549 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 57' ' ' MET . . . . . . . . . . . . . 22.8 mmt -92.63 41.49 1.08 Allowed 'General case' 0 C--N 1.321 -0.659 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.777 -173.577 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 58' ' ' MET . . . . . . . . . . . . . 79.7 mtp -97.96 -39.47 8.95 Favored 'General case' 0 C--N 1.326 -0.455 0 CA-C-O 120.903 0.382 . . . . 0.0 110.245 172.738 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 59' ' ' ASN . . . . . . . . . . . . . 75.9 m-20 -88.16 154.84 20.13 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.779 -177.121 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -75.75 -7.88 55.47 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.278 -0.419 . . . . 0.0 111.127 179.548 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 37.9 mt-10 -54.11 -53.58 51.27 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 115.717 -0.674 . . . . 0.0 110.838 178.837 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 62' ' ' HIS . . . . . . . . . . . . . 95.7 m-70 -79.33 -19.09 51.2 Favored 'General case' 0 C--N 1.326 -0.456 0 CA-C-N 115.747 -0.66 . . . . 0.0 110.455 -177.91 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 63' ' ' ARG . . . . . . . . . . . . . 23.9 tpp180 -66.62 -51.91 51.06 Favored 'General case' 0 C--O 1.235 0.314 0 CA-C-N 116.069 -0.514 . . . . 0.0 110.179 179.104 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 52.3 pttt -69.23 -31.04 69.35 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.055 178.535 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 57.9 tp -57.45 -56.23 24.49 Favored 'General case' 0 N--CA 1.457 -0.119 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.732 178.425 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 10.2 mp -59.98 -33.21 71.65 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 115.988 -0.551 . . . . 0.0 110.986 179.526 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 32.7 tt0 -63.67 -52.33 61.18 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-O 121.026 0.441 . . . . 0.0 110.342 176.908 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 68' ' ' GLN . . . . . 0.482 ' HB3' HG12 ' A' ' 82' ' ' ILE . 48.5 mt-30 -61.87 -45.8 92.19 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-N 116.055 -0.52 . . . . 0.0 111.367 -179.975 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 20.7 mt-10 -68.23 -29.33 68.13 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.6 0.238 . . . . 0.0 110.97 -179.287 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 70' ' ' MET . . . . . . . . . . . . . 47.3 ttm -64.52 -51.76 61.25 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 116.483 -0.326 . . . . 0.0 110.243 176.679 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 71' ' ' VAL . . . . . 0.444 HG12 ' HB3' ' A' ' 78' ' ' LYS . 58.5 t -63.2 -36.52 76.31 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.375 0 CA-C-N 116.13 -0.487 . . . . 0.0 110.48 -179.943 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 34.8 m -66.42 -53.13 39.17 Favored 'General case' 0 C--N 1.325 -0.474 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.953 178.834 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 73' ' ' PHE . . . . . . . . . . . . . 59.0 t80 -70.51 -47.53 59.99 Favored 'General case' 0 C--N 1.325 -0.478 0 CA-C-N 116.486 -0.324 . . . . 0.0 111.616 -174.303 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 74' ' ' LEU . . . . . . . . . . . . . 70.3 mt -81.93 -33.4 30.39 Favored 'General case' 0 C--N 1.324 -0.54 0 N-CA-C 112.804 0.668 . . . . 0.0 112.804 -172.036 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 75' ' ' PHE . . . . . . . . . . . . . 29.3 m-85 -108.85 -30.12 8.3 Favored 'General case' 0 C--N 1.327 -0.38 0 N-CA-C 112.619 0.6 . . . . 0.0 112.619 -174.443 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 6.6 mm-40 64.06 13.07 7.46 Favored 'General case' 0 N--CA 1.469 0.519 0 CA-C-O 120.883 0.373 . . . . 0.0 111.236 -178.513 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . -132.29 71.43 0.5 Allowed Glycine 0 N--CA 1.449 -0.498 0 C-N-CA 120.797 -0.716 . . . . 0.0 112.319 -176.618 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 78' ' ' LYS . . . . . 0.533 ' O ' ' HD2' ' A' ' 78' ' ' LYS . 0.1 OUTLIER -124.52 152.71 43.1 Favored 'General case' 0 C--N 1.324 -0.503 0 CA-C-O 120.832 0.349 . . . . 0.0 110.962 -179.584 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 79' ' ' ASP . . . . . . . . . . . . . 10.6 m-20 -115.35 -11.69 11.86 Favored 'General case' 0 C--N 1.324 -0.537 0 CA-C-N 116.043 -0.526 . . . . 0.0 110.789 178.587 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 80' ' ' VAL . . . . . . . . . . . . . 13.4 t -78.25 113.61 17.73 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.409 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.132 -179.558 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 81' ' ' HIS . . . . . . . . . . . . . 58.0 t-80 -65.9 122.92 18.45 Favored 'General case' 0 C--N 1.326 -0.439 0 N-CA-C 109.686 -0.487 . . . . 0.0 109.686 178.466 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 82' ' ' ILE . . . . . 0.482 HG12 ' HB3' ' A' ' 68' ' ' GLN . 10.0 mt -69.17 107.73 1.56 Allowed 'Isoleucine or valine' 0 C--N 1.322 -0.618 0 N-CA-C 110.013 -0.365 . . . . 0.0 110.013 -178.333 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 5.8 mm-40 62.34 92.08 0.06 Allowed 'General case' 0 C--O 1.231 0.102 0 CA-C-N 115.315 -0.857 . . . . 0.0 110.958 -171.491 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 84' ' ' GLY . . . . . . . . . . . . . . . 169.23 -132.93 2.68 Favored Glycine 0 N--CA 1.446 -0.69 0 CA-C-N 115.134 -0.939 . . . . 0.0 111.632 178.75 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 85' ' ' TYR . . . . . . . . . . . . . 28.1 t80 -67.2 125.35 25.78 Favored 'General case' 0 C--N 1.326 -0.445 0 N-CA-C 109.766 -0.457 . . . . 0.0 109.766 179.105 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 86' ' ' THR . . . . . . . . . . . . . 10.1 t -116.82 146.7 38.37 Favored Pre-proline 0 C--N 1.323 -0.557 0 CA-C-N 116.286 -0.415 . . . . 0.0 111.159 -174.727 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 87' ' ' PRO . . . . . . . . . . . . . 7.5 Cg_exo -73.6 -169.89 0.6 Allowed 'Trans proline' 0 C--N 1.346 0.415 0 C-N-CA 122.676 2.251 . . . . 0.0 111.109 170.924 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 88' ' ' GLU . . . . . . . . . . . . . 20.7 mm-40 65.15 22.33 12.24 Favored 'General case' 0 N--CA 1.468 0.464 0 CA-C-O 121.325 0.583 . . . . 0.0 110.264 -179.844 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 89' ' ' ASP . . . . . . . . . . . . . 22.4 t70 -89.45 -48.57 7.24 Favored 'General case' 0 C--N 1.326 -0.444 0 CA-C-N 115.806 -0.633 . . . . 0.0 111.788 -173.982 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 18.0 ptpt -96.85 21.16 9.95 Favored 'General case' 0 C--N 1.326 -0.446 0 CA-C-O 120.88 0.372 . . . . 0.0 111.283 -176.793 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 91' ' ' LYS . . . . . . . . . . . . . 51.9 pttt . . . . . 0 C--O 1.247 0.952 0 CA-C-N 116.005 -0.543 . . . . 0.0 109.955 176.17 . . . . . . . . 0 0 . 1 . 010 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 16.5 tpt . . . . . 0 N--CA 1.48 1.044 0 N-CA-C 110.132 -0.322 . . . . 0.0 110.132 . . . . . . . . . 0 0 . 1 . 010 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 46.9 p -82.7 72.74 9.77 Favored 'General case' 0 C--N 1.325 -0.472 0 CA-C-O 121.169 0.509 . . . . 0.0 111.288 -175.997 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 3' ' ' ARG . . . . . . . . . . . . . 43.2 ttm180 -143.24 105.46 4.41 Favored 'General case' 0 C--N 1.325 -0.471 0 CA-C-N 115.788 -0.642 . . . . 0.0 109.27 174.778 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 5.3 m -80.37 104.69 11.09 Favored 'General case' 0 C--N 1.323 -0.549 0 CA-C-N 115.993 -0.549 . . . . 0.0 111.668 -174.019 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 5' ' ' ILE . . . . . . . . . . . . . 2.8 pp -120.63 159.08 22.56 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.642 0 CA-C-N 116.109 -0.496 . . . . 0.0 109.853 175.472 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 6' ' ' PHE . . . . . . . . . . . . . 96.5 m-85 -98.53 100.93 12.22 Favored 'General case' 0 C--N 1.318 -0.772 0 N-CA-C 109.701 -0.481 . . . . 0.0 109.701 177.302 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 7' ' ' CYS . . . . . 0.711 ' SG ' ' HB2' ' A' ' 10' ' ' LEU . 4.3 p -73.19 136.34 44.7 Favored 'General case' 0 C--N 1.324 -0.54 0 CA-C-N 115.592 -0.731 . . . . 0.0 111.116 -176.206 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 9.5 p -61.52 -35.82 78.81 Favored 'General case' 0 C--N 1.323 -0.549 0 CA-C-N 115.763 -0.653 . . . . 0.0 112.191 -176.368 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 9' ' ' TYR . . . . . . . . . . . . . 71.8 t80 -71.8 -44.36 64.07 Favored 'General case' 0 C--N 1.328 -0.359 0 N-CA-C 111.826 0.306 . . . . 0.0 111.826 -176.145 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 10' ' ' LEU . . . . . 0.711 ' HB2' ' SG ' ' A' ' 7' ' ' CYS . 7.0 mp -88.71 -26.27 21.89 Favored 'General case' 0 N--CA 1.465 0.28 0 C-N-CA 121.059 -0.256 . . . . 0.0 111.313 -176.525 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 29.0 mm-40 68.07 16.77 9.5 Favored 'General case' 0 N--CA 1.465 0.324 0 CA-C-O 121.212 0.529 . . . . 0.0 110.961 -179.268 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 97.5 mtt180 -125.58 172.91 9.33 Favored 'General case' 0 C--N 1.323 -0.549 0 CA-C-N 115.91 -0.586 . . . . 0.0 109.487 179.82 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 4.1 p-10 -78.22 128.92 34.45 Favored 'General case' 0 C--N 1.319 -0.755 0 CA-C-O 121.201 0.524 . . . . 0.0 109.761 175.406 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -148.74 -179.83 7.28 Favored 'General case' 0 C--N 1.315 -0.923 0 CA-C-N 115.582 -0.735 . . . . 0.0 109.81 -178.344 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 17.3 pt-20 -85.75 145.51 27.22 Favored 'General case' 0 C--N 1.316 -0.85 0 CA-C-N 116.525 -0.307 . . . . 0.0 110.5 -177.05 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . -66.6 167.59 37.02 Favored Glycine 0 N--CA 1.448 -0.516 0 C-N-CA 120.777 -0.725 . . . . 0.0 111.609 174.089 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 17' ' ' GLN . . . . . 0.52 ' HA ' ' HG3' ' A' ' 36' ' ' LYS . 30.9 mt-30 -75.49 -111.16 0.01 OUTLIER 'General case' 0 C--N 1.323 -0.582 0 N-CA-C 112.42 0.526 . . . . 0.0 112.42 -177.78 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 3.9 m-20 -136.69 -164.78 1.63 Allowed 'General case' 0 C--N 1.322 -0.609 0 CA-C-O 121.015 0.436 . . . . 0.0 110.766 -170.325 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 19' ' ' PHE . . . . . 0.454 ' O ' ' HG ' ' A' ' 21' ' ' LEU . 38.1 p90 -92.0 175.72 6.77 Favored 'General case' 0 C--N 1.322 -0.614 0 CA-C-N 115.753 -0.658 . . . . 0.0 110.042 176.501 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 14.4 mm100 -72.16 96.01 1.73 Allowed 'General case' 0 C--N 1.325 -0.494 0 CA-C-O 120.963 0.411 . . . . 0.0 110.148 178.448 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 21' ' ' LEU . . . . . 0.454 ' HG ' ' O ' ' A' ' 19' ' ' PHE . 0.7 OUTLIER -116.93 -11.23 10.84 Favored 'General case' 0 C--N 1.325 -0.459 0 CA-C-N 116.013 -0.54 . . . . 0.0 112.346 -176.256 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 22' ' ' TYR . . . . . 0.52 ' HB3' ' HD3' ' A' ' 23' ' ' PRO . 43.2 t80 -153.42 -53.63 0.02 OUTLIER Pre-proline 0 C--N 1.327 -0.402 0 N-CA-C 111.814 0.301 . . . . 0.0 111.814 -177.579 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 23' ' ' PRO . . . . . 0.562 ' HB2' ' HA3' ' A' ' 27' ' ' GLY . 10.2 Cg_endo -89.2 173.65 3.89 Favored 'Trans proline' 0 N--CA 1.453 -0.875 0 C-N-CA 121.922 1.748 . . . . 0.0 112.1 -179.142 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -111.86 -120.76 3.93 Favored Glycine 0 N--CA 1.447 -0.57 0 C-N-CA 120.698 -0.763 . . . . 0.0 112.629 -177.447 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 25' ' ' GLU . . . . . 0.434 ' O ' ' HG2' ' A' ' 28' ' ' LYS . 42.6 mt-10 -63.81 -45.33 90.09 Favored 'General case' 0 C--O 1.236 0.359 0 CA-C-O 120.719 0.295 . . . . 0.0 111.405 -175.279 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 54.5 tp -63.21 -32.18 73.52 Favored 'General case' 0 C--N 1.328 -0.365 0 N-CA-C 109.614 -0.513 . . . . 0.0 109.614 176.673 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 27' ' ' GLY . . . . . 0.562 ' HA3' ' HB2' ' A' ' 23' ' ' PRO . . . -63.25 -56.4 20.39 Favored Glycine 0 N--CA 1.447 -0.575 0 CA-C-N 115.592 -0.731 . . . . 0.0 112.741 179.38 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 28' ' ' LYS . . . . . 0.434 ' HG2' ' O ' ' A' ' 25' ' ' GLU . 21.7 ptmt -58.04 -34.04 69.65 Favored 'General case' 0 C--O 1.238 0.49 0 CA-C-O 120.822 0.344 . . . . 0.0 110.837 -176.661 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 29' ' ' ARG . . . . . 0.562 ' O ' ' HG2' ' A' ' 33' ' ' GLU . 32.8 ttt180 -59.22 -57.94 10.81 Favored 'General case' 0 N--CA 1.452 -0.357 0 CA-C-N 116.349 -0.387 . . . . 0.0 110.014 175.276 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 30' ' ' ILE . . . . . 0.465 ' O ' ' HB ' ' A' ' 34' ' ' ILE . 70.9 mt -59.25 -37.1 67.01 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.407 0 CA-C-O 121.109 0.481 . . . . 0.0 110.661 -179.29 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 31' ' ' TYR . . . . . . . . . . . . . 3.1 m-85 -66.71 -20.81 66.05 Favored 'General case' 0 C--N 1.323 -0.583 0 N-CA-C 112.609 0.596 . . . . 0.0 112.609 -177.092 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 32' ' ' ASN . . . . . . . . . . . . . 6.0 p30 -103.58 -12.46 17.06 Favored 'General case' 0 CA--C 1.534 0.342 0 C-N-CA 119.803 -0.759 . . . . 0.0 112.52 179.546 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 33' ' ' GLU . . . . . 0.562 ' HG2' ' O ' ' A' ' 29' ' ' ARG . 6.8 pt-20 -116.27 -3.72 11.95 Favored 'General case' 0 N--CA 1.468 0.444 0 CA-C-O 121.053 0.454 . . . . 0.0 111.57 178.182 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 34' ' ' ILE . . . . . 0.465 ' HB ' ' O ' ' A' ' 30' ' ' ILE . 12.7 mm -127.83 134.6 65.01 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.578 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.29 175.71 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 16.2 m -85.6 160.23 19.67 Favored 'General case' 0 C--N 1.322 -0.606 0 CA-C-N 116.041 -0.527 . . . . 0.0 110.945 178.938 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 36' ' ' LYS . . . . . 0.52 ' HG3' ' HA ' ' A' ' 17' ' ' GLN . 45.3 mttm -49.71 -43.64 47.71 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-N 115.586 -0.734 . . . . 0.0 111.12 178.52 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 2.4 m-20 -58.49 -53.67 55.68 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 115.465 -0.789 . . . . 0.0 111.385 -178.866 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -62.7 -38.93 92.37 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.034 -0.53 . . . . 0.0 110.973 -177.948 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 39' ' ' TRP . . . . . 0.424 ' O ' ' HG3' ' A' ' 43' ' ' GLN . 76.4 t-105 -64.62 -44.75 89.55 Favored 'General case' 0 C--N 1.326 -0.453 0 CA-C-N 115.854 -0.612 . . . . 0.0 110.293 177.982 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -62.24 -39.68 93.66 Favored 'General case' 0 C--O 1.235 0.325 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.818 178.993 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 23.0 mm-40 -60.4 -45.64 92.83 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 115.939 -0.573 . . . . 0.0 110.568 177.268 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 42' ' ' TRP . . . . . . . . . . . . . 22.5 t-105 -63.71 -43.92 95.15 Favored 'General case' 0 N--CA 1.453 -0.301 0 CA-C-N 116.545 -0.298 . . . . 0.0 110.961 178.971 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 43' ' ' GLN . . . . . 0.424 ' HG3' ' O ' ' A' ' 39' ' ' TRP . 45.9 mt-30 -55.2 -45.64 75.87 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-O 120.793 0.33 . . . . 0.0 111.311 -178.878 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 44' ' ' HIS . . . . . . . . . . . . . 59.9 m80 -72.29 -34.7 68.34 Favored 'General case' 0 C--N 1.324 -0.5 0 CA-C-N 116.486 -0.324 . . . . 0.0 110.964 -178.703 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 58.7 tptt -62.63 -45.46 92.76 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.832 0.349 . . . . 0.0 110.144 175.88 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 46' ' ' GLN . . . . . . . . . . . . . 23.5 tp60 -64.06 -42.94 96.84 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 116.061 -0.518 . . . . 0.0 110.402 178.407 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 35.4 m -60.1 -46.61 89.03 Favored 'General case' 0 C--O 1.235 0.298 0 CA-C-O 120.981 0.42 . . . . 0.0 110.117 177.812 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 48' ' ' MET . . . . . . . . . . . . . 53.6 tpp -59.64 -42.7 93.35 Favored 'General case' 0 C--N 1.332 -0.183 0 CA-C-N 115.741 -0.663 . . . . 0.0 110.39 177.102 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 49' ' ' LEU . . . . . 0.416 ' HG ' ' HE2' ' A' ' 53' ' ' LYS . 7.7 tp -64.42 -41.6 96.52 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 115.736 -0.666 . . . . 0.0 110.829 -178.192 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 50' ' ' ILE . . . . . . . . . . . . . 78.6 mt -61.58 -46.58 96.27 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.442 176.921 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 51' ' ' ASN . . . . . . . . . . . . . 57.0 t30 -71.01 -23.97 62.28 Favored 'General case' 0 C--N 1.326 -0.454 0 CA-C-N 115.637 -0.711 . . . . 0.0 110.314 -179.023 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 25.5 tt0 -75.56 -65.26 0.92 Allowed 'General case' 0 C--N 1.324 -0.528 0 CA-C-N 115.454 -0.794 . . . . 0.0 110.954 -179.384 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 53' ' ' LYS . . . . . 0.416 ' HE2' ' HG ' ' A' ' 49' ' ' LEU . 52.4 mttm -82.4 -16.45 49.02 Favored 'General case' 0 C--N 1.326 -0.455 0 CA-C-N 115.652 -0.704 . . . . 0.0 111.123 -172.253 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 75.6 mmtt 61.14 80.89 0.2 Allowed 'General case' 0 C--O 1.233 0.192 0 O-C-N 123.857 0.723 . . . . 0.0 111.411 -179.802 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 4.0 pp -107.1 151.24 25.64 Favored 'General case' 0 C--N 1.323 -0.579 0 CA-C-N 115.749 -0.659 . . . . 0.0 109.83 176.613 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 56' ' ' ASN . . . . . . . . . . . . . 27.6 p-10 -101.2 147.25 26.48 Favored 'General case' 0 C--N 1.323 -0.549 0 N-CA-C 109.288 -0.634 . . . . 0.0 109.288 177.762 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 57' ' ' MET . . . . . . . . . . . . . 18.6 mtp -106.57 5.36 29.02 Favored 'General case' 0 C--N 1.32 -0.717 0 C-N-CA 120.628 -0.429 . . . . 0.0 111.882 -169.774 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 58' ' ' MET . . . . . . . . . . . . . 15.6 ptp -85.41 -17.11 37.6 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-O 120.82 0.343 . . . . 0.0 110.199 174.229 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 59' ' ' ASN . . . . . 0.461 ' HB3' ' OE1' ' A' ' 61' ' ' GLU . 6.4 m-20 -85.89 -177.61 6.38 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 115.996 -0.547 . . . . 0.0 110.45 178.719 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -92.15 -31.99 15.28 Favored 'General case' 0 C--N 1.323 -0.561 0 CA-C-O 120.767 0.318 . . . . 0.0 110.965 -179.088 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 61' ' ' GLU . . . . . 0.461 ' OE1' ' HB3' ' A' ' 59' ' ' ASN . 1.9 mp0 -47.52 -41.59 21.44 Favored 'General case' 0 N--CA 1.466 0.341 0 C-N-CA 123.756 0.822 . . . . 0.0 113.115 -172.763 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 62' ' ' HIS . . . . . . . . . . . . . 37.1 p-80 -63.08 -24.92 68.13 Favored 'General case' 0 C--N 1.331 -0.228 0 N-CA-C 111.719 0.266 . . . . 0.0 111.719 -175.79 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 63' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -69.94 -56.95 5.69 Favored 'General case' 0 CA--C 1.519 -0.22 0 C-N-CA 121.048 -0.261 . . . . 0.0 110.771 -175.366 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 64' ' ' LYS . . . . . 0.417 ' O ' ' HG3' ' A' ' 68' ' ' GLN . 65.9 pttt -66.7 -36.96 83.75 Favored 'General case' 0 C--N 1.327 -0.394 0 C-N-CA 120.638 -0.425 . . . . 0.0 110.365 -179.275 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 53.7 tp -59.16 -49.65 77.04 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.534 -0.303 . . . . 0.0 110.519 179.208 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 10.4 tt -64.16 -43.74 94.25 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.137 179.657 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 34.8 tt0 -62.21 -41.79 98.7 Favored 'General case' 0 C--O 1.235 0.341 0 CA-C-O 120.886 0.375 . . . . 0.0 110.951 -178.465 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 68' ' ' GLN . . . . . 0.508 ' HA ' ' HE2' ' A' ' 78' ' ' LYS . 55.9 mt-30 -61.79 -57.16 12.96 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 115.99 -0.55 . . . . 0.0 110.756 178.801 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 8.2 mm-40 -63.15 -39.72 95.48 Favored 'General case' 0 C--N 1.325 -0.484 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.708 -177.42 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 70' ' ' MET . . . . . . . . . . . . . 58.8 ttp -59.18 -58.16 9.84 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-O 120.874 0.369 . . . . 0.0 111.443 -178.659 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 71' ' ' VAL . . . . . . . . . . . . . 46.8 t -66.73 -29.53 46.72 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 CA-C-O 120.919 0.39 . . . . 0.0 110.899 -175.431 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 10.2 t -76.26 -40.82 50.89 Favored 'General case' 0 C--N 1.325 -0.481 0 CA-C-O 120.791 0.329 . . . . 0.0 110.729 -179.693 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 73' ' ' PHE . . . . . . . . . . . . . 69.2 t80 -70.64 -39.9 73.4 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-O 120.905 0.383 . . . . 0.0 110.95 -178.682 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 74' ' ' LEU . . . . . . . . . . . . . 96.3 mt -86.67 -46.34 10.16 Favored 'General case' 0 C--N 1.325 -0.484 0 CA-C-N 116.026 -0.534 . . . . 0.0 112.276 -174.676 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 75' ' ' PHE . . . . . . . . . . . . . 49.6 t80 -98.19 -30.18 12.79 Favored 'General case' 0 C--N 1.328 -0.356 0 C-N-CA 120.903 -0.319 . . . . 0.0 111.79 -173.705 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 6.2 mm-40 60.18 32.23 20.8 Favored 'General case' 0 N--CA 1.469 0.501 0 CA-C-O 121.154 0.502 . . . . 0.0 111.196 -177.485 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . -153.79 84.1 0.15 Allowed Glycine 0 N--CA 1.448 -0.521 0 C-N-CA 120.882 -0.675 . . . . 0.0 112.07 179.376 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 78' ' ' LYS . . . . . 0.508 ' HE2' ' HA ' ' A' ' 68' ' ' GLN . 26.5 mtpp -112.26 174.26 5.97 Favored 'General case' 0 C--N 1.321 -0.633 0 CA-C-O 121.431 0.634 . . . . 0.0 112.029 179.641 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 79' ' ' ASP . . . . . . . . . . . . . 2.4 m-20 -106.37 -40.75 5.5 Favored 'General case' 0 C--N 1.322 -0.598 0 CA-C-N 114.987 -1.006 . . . . 0.0 108.289 172.371 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 80' ' ' VAL . . . . . . . . . . . . . 36.4 t -76.22 115.79 18.33 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.383 0 CA-C-N 114.852 -1.067 . . . . 0.0 110.653 179.478 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 81' ' ' HIS . . . . . . . . . . . . . 4.9 m170 -63.91 148.52 49.29 Favored 'General case' 0 C--N 1.326 -0.456 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.24 174.312 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 82' ' ' ILE . . . . . 0.437 HG12 ' HB3' ' A' ' 68' ' ' GLN . 11.2 mt -102.37 87.05 1.14 Allowed 'Isoleucine or valine' 0 C--N 1.32 -0.674 0 N-CA-C 109.462 -0.57 . . . . 0.0 109.462 175.669 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 44.0 mt-10 -144.58 -31.49 0.43 Allowed 'General case' 0 C--N 1.326 -0.426 0 CA-C-N 115.65 -0.704 . . . . 0.0 110.285 -178.078 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 84' ' ' GLY . . . . . . . . . . . . . . . 117.49 -42.66 1.79 Allowed Glycine 0 N--CA 1.446 -0.672 0 N-CA-C 110.983 -0.847 . . . . 0.0 110.983 -177.818 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 85' ' ' TYR . . . . . . . . . . . . . 37.6 p90 -155.59 152.79 29.18 Favored 'General case' 0 C--N 1.325 -0.496 0 N-CA-C 109.669 -0.493 . . . . 0.0 109.669 178.967 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 86' ' ' THR . . . . . 0.417 ' HA ' ' HD3' ' A' ' 87' ' ' PRO . 5.0 t -136.49 132.24 18.69 Favored Pre-proline 0 C--N 1.323 -0.577 0 CA-C-O 120.615 0.245 . . . . 0.0 110.721 177.311 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 87' ' ' PRO . . . . . 0.417 ' HD3' ' HA ' ' A' ' 86' ' ' THR . 15.7 Cg_exo -68.99 -178.18 1.94 Allowed 'Trans proline' 0 C--O 1.236 0.379 0 C-N-CA 122.641 2.227 . . . . 0.0 111.781 174.592 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 88' ' ' GLU . . . . . . . . . . . . . 55.5 mm-40 62.51 77.8 0.32 Allowed 'General case' 0 C--N 1.331 -0.215 0 CA-C-O 121.502 0.668 . . . . 0.0 111.583 -178.474 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 89' ' ' ASP . . . . . . . . . . . . . 6.7 m-20 -100.86 128.89 46.71 Favored 'General case' 0 C--N 1.323 -0.544 0 CA-C-N 115.635 -0.711 . . . . 0.0 110.034 175.378 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 18.1 ptpt -101.58 146.04 28.22 Favored 'General case' 0 C--N 1.321 -0.655 0 CA-C-N 116.244 -0.434 . . . . 0.0 109.952 177.482 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 91' ' ' LYS . . . . . . . . . . . . . 30.8 mmmt . . . . . 0 C--O 1.25 1.116 0 CA-C-O 118.58 -0.724 . . . . 0.0 110.114 -179.297 . . . . . . . . 0 0 . 1 . 011 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 70.5 mtm . . . . . 0 N--CA 1.479 1.004 0 CA-C-O 120.738 0.304 . . . . 0.0 110.552 . . . . . . . . . 0 0 . 1 . 011 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 24.8 m -84.27 93.96 8.33 Favored 'General case' 0 N--CA 1.448 -0.536 0 CA-C-O 120.992 0.425 . . . . 0.0 110.453 -179.73 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 3' ' ' ARG . . . . . 0.433 ' HD2' ' HA3' ' A' ' 16' ' ' GLY . 38.0 ttm180 -81.23 112.71 18.81 Favored 'General case' 0 C--N 1.324 -0.502 0 CA-C-N 115.925 -0.579 . . . . 0.0 109.979 -179.205 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 20.2 p -109.22 129.87 55.49 Favored 'General case' 0 C--N 1.321 -0.657 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.243 -179.379 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 5' ' ' ILE . . . . . . . . . . . . . 2.8 pp -128.13 173.98 12.37 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.45 0 CA-C-N 115.898 -0.592 . . . . 0.0 109.919 175.867 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 6' ' ' PHE . . . . . . . . . . . . . 56.8 m-85 -97.84 102.61 14.41 Favored 'General case' 0 C--N 1.322 -0.598 0 CA-C-O 120.899 0.38 . . . . 0.0 110.189 176.057 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 7' ' ' CYS . . . . . 0.569 ' HA ' ' O ' ' A' ' 33' ' ' GLU . 47.5 t -75.69 129.6 37.37 Favored 'General case' 0 C--N 1.322 -0.615 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.304 -178.482 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 3.5 p -60.49 -46.45 90.05 Favored 'General case' 0 C--N 1.324 -0.535 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.852 -177.476 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 9' ' ' TYR . . . . . . . . . . . . . 75.8 t80 -70.45 -20.08 62.92 Favored 'General case' 0 C--N 1.325 -0.465 0 CA-C-N 115.952 -0.567 . . . . 0.0 111.394 -175.983 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 83.0 mt -105.66 -29.36 10.15 Favored 'General case' 0 C--N 1.326 -0.453 0 C-N-CA 121.091 -0.244 . . . . 0.0 111.553 -176.254 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 31.9 mm-40 65.6 22.45 11.71 Favored 'General case' 0 N--CA 1.469 0.507 0 CA-C-O 121.146 0.498 . . . . 0.0 110.67 -178.76 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 30.9 mtp180 -141.25 -179.74 6.29 Favored 'General case' 0 C--N 1.326 -0.439 0 CA-C-N 115.989 -0.551 . . . . 0.0 110.771 -176.219 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 5.3 m-20 -70.33 125.48 26.9 Favored 'General case' 0 C--O 1.235 0.329 0 CA-C-N 115.931 -0.577 . . . . 0.0 110.345 176.68 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -137.78 175.67 9.39 Favored 'General case' 0 C--N 1.322 -0.591 0 CA-C-N 116.11 -0.496 . . . . 0.0 110.635 179.511 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 31.5 tt0 -75.51 143.52 42.47 Favored 'General case' 0 C--N 1.326 -0.43 0 N-CA-C 110.036 -0.357 . . . . 0.0 110.036 -178.266 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 16' ' ' GLY . . . . . 0.433 ' HA3' ' HD2' ' A' ' 3' ' ' ARG . . . -83.32 37.7 2.74 Favored Glycine 0 CA--C 1.518 0.253 0 CA-C-N 116.115 -0.493 . . . . 0.0 113.837 -175.995 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 17' ' ' GLN . . . . . . . . . . . . . 2.3 mm-40 58.33 -166.12 0.16 Allowed 'General case' 0 C--N 1.329 -0.303 0 N-CA-C 114.767 1.395 . . . . 0.0 114.767 169.348 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 1.2 t70 -91.27 -153.62 0.33 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 114.447 -1.252 . . . . 0.0 110.949 -172.949 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 77.3 m-85 -119.78 179.07 4.35 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.026 -178.987 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 19.0 mm-40 -78.86 89.32 4.68 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-O 121.12 0.486 . . . . 0.0 110.228 177.782 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -109.99 -17.22 13.65 Favored 'General case' 0 C--N 1.324 -0.539 0 CA-C-N 115.689 -0.687 . . . . 0.0 111.922 -178.64 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 22' ' ' TYR . . . . . 0.532 ' HB3' ' HD3' ' A' ' 23' ' ' PRO . 67.2 t80 -156.99 -50.83 0.01 OUTLIER Pre-proline 0 C--N 1.325 -0.461 0 N-CA-C 111.767 0.284 . . . . 0.0 111.767 -176.724 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 23' ' ' PRO . . . . . 0.532 ' HD3' ' HB3' ' A' ' 22' ' ' TYR . 5.3 Cg_exo -79.2 154.61 25.19 Favored 'Trans proline' 0 C--N 1.354 0.862 0 C-N-CA 121.883 1.722 . . . . 0.0 111.593 178.199 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -97.94 -133.58 7.99 Favored Glycine 0 N--CA 1.451 -0.339 0 C-N-CA 120.525 -0.845 . . . . 0.0 112.307 179.391 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 39.7 mm-40 -63.52 -26.98 68.96 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.602 0.239 . . . . 0.0 111.25 -177.487 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 26' ' ' LEU . . . . . 0.519 ' O ' HG12 ' A' ' 30' ' ' ILE . 58.9 tp -63.71 -50.98 67.01 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-O 120.947 0.404 . . . . 0.0 110.182 178.033 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 27' ' ' GLY . . . . . 0.426 ' HA3' ' HB2' ' A' ' 23' ' ' PRO . . . -64.99 -37.47 94.31 Favored Glycine 0 N--CA 1.449 -0.463 0 C-N-CA 120.839 -0.696 . . . . 0.0 111.466 177.875 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 72.0 tttt -58.76 -45.76 89.01 Favored 'General case' 0 C--N 1.322 -0.612 0 C-N-CA 122.719 0.408 . . . . 0.0 110.774 176.365 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 73.6 ttt180 -56.7 -40.81 76.27 Favored 'General case' 0 N--CA 1.463 0.189 0 CA-C-N 116.025 -0.534 . . . . 0.0 110.359 176.804 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 30' ' ' ILE . . . . . 0.519 HG12 ' O ' ' A' ' 26' ' ' LEU . 44.9 mm -69.02 -47.97 72.43 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.358 0 CA-C-N 115.767 -0.651 . . . . 0.0 111.19 179.597 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 31' ' ' TYR . . . . . . . . . . . . . 21.5 m-30 -61.67 -25.48 67.42 Favored 'General case' 0 N--CA 1.466 0.359 0 N-CA-C 112.617 0.599 . . . . 0.0 112.617 -172.879 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 32' ' ' ASN . . . . . . . . . . . . . 25.7 m-80 -72.43 -28.53 63.01 Favored 'General case' 0 C--N 1.323 -0.564 0 C-N-CA 120.893 -0.323 . . . . 0.0 111.439 177.671 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 33' ' ' GLU . . . . . 0.569 ' O ' ' HA ' ' A' ' 7' ' ' CYS . 15.2 mm-40 -109.11 -22.2 12.24 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-O 120.826 0.346 . . . . 0.0 111.76 -173.864 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 34' ' ' ILE . . . . . 0.499 HD11 ' O ' ' A' ' 74' ' ' LEU . 26.0 mm -118.28 132.95 66.63 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.67 0 CA-C-O 120.751 0.31 . . . . 0.0 111.342 -176.434 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 4.4 t -90.42 -178.53 5.37 Favored 'General case' 0 N--CA 1.449 -0.479 0 CA-C-N 116.007 -0.542 . . . . 0.0 110.061 179.585 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 61.6 mttm -69.86 -42.36 73.64 Favored 'General case' 0 C--N 1.327 -0.405 0 N-CA-C 112.235 0.457 . . . . 0.0 112.235 -174.564 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 31.6 t70 -62.87 -45.61 91.76 Favored 'General case' 0 C--N 1.329 -0.302 0 C-N-CA 120.646 -0.422 . . . . 0.0 110.826 -178.439 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -65.86 -39.85 91.13 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-N 116.268 -0.424 . . . . 0.0 110.657 178.465 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 39' ' ' TRP . . . . . 0.511 ' CZ3' HG21 ' A' ' 30' ' ' ILE . 63.8 t-105 -62.64 -50.87 69.51 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-N 115.897 -0.592 . . . . 0.0 110.379 178.576 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -66.14 -31.77 72.83 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 115.809 -0.632 . . . . 0.0 110.601 -179.867 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 32.2 tt0 -63.03 -43.95 97.26 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 115.973 -0.558 . . . . 0.0 110.17 178.199 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 42' ' ' TRP . . . . . . . . . . . . . 42.8 t-105 -67.24 -41.81 85.02 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.071 -0.513 . . . . 0.0 110.634 177.438 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 43' ' ' GLN . . . . . 0.486 ' HG3' ' O ' ' A' ' 39' ' ' TRP . 47.8 mt-30 -60.12 -43.82 95.34 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 121.032 0.444 . . . . 0.0 110.315 178.004 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 44' ' ' HIS . . . . . . . . . . . . . 32.3 t60 -61.52 -43.69 98.41 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-N 115.755 -0.657 . . . . 0.0 110.227 177.786 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 45' ' ' LYS . . . . . 0.621 ' O ' ' HG ' ' A' ' 49' ' ' LEU . 5.7 tmtt? -63.48 -44.97 92.86 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 115.689 -0.687 . . . . 0.0 110.117 179.718 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 46' ' ' GLN . . . . . 0.453 ' O ' HG13 ' A' ' 50' ' ' ILE . 58.6 tp60 -65.81 -35.43 80.66 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.013 -0.539 . . . . 0.0 111.148 -179.694 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 49.1 m -57.32 -44.54 84.28 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 121.137 0.494 . . . . 0.0 109.689 176.645 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 48' ' ' MET . . . . . . . . . . . . . 26.2 ttt -62.65 -45.72 91.54 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 115.382 -0.826 . . . . 0.0 110.326 175.973 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 49' ' ' LEU . . . . . 0.621 ' HG ' ' O ' ' A' ' 45' ' ' LYS . 85.7 mt -59.39 -44.28 92.82 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 115.998 -0.547 . . . . 0.0 111.799 -178.499 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 50' ' ' ILE . . . . . 0.453 HG13 ' O ' ' A' ' 46' ' ' GLN . 77.2 mt -61.55 -42.73 95.16 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.248 0 CA-C-O 121.082 0.467 . . . . 0.0 110.632 178.61 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 51' ' ' ASN . . . . . . . . . . . . . 30.5 t30 -66.29 -40.38 90.01 Favored 'General case' 0 C--N 1.323 -0.553 0 CA-C-N 115.592 -0.731 . . . . 0.0 110.963 -177.732 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 19.2 mm-40 -75.86 -41.64 51.72 Favored 'General case' 0 C--N 1.324 -0.516 0 CA-C-N 116.188 -0.46 . . . . 0.0 112.185 -176.0 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 33.6 mtmm -93.51 -13.69 27.53 Favored 'General case' 0 C--N 1.327 -0.381 0 N-CA-C 112.361 0.504 . . . . 0.0 112.361 -174.409 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 60.6 mttp 53.55 79.58 0.12 Allowed 'General case' 0 N--CA 1.465 0.315 0 CA-C-O 121.072 0.463 . . . . 0.0 111.04 -175.627 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 55' ' ' LEU . . . . . 0.438 ' HB2' ' CG ' ' A' ' 62' ' ' HIS . 4.5 pp -119.48 144.05 47.21 Favored 'General case' 0 C--N 1.32 -0.675 0 CA-C-O 120.996 0.426 . . . . 0.0 111.29 -178.939 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 56' ' ' ASN . . . . . . . . . . . . . 92.1 m-20 -84.96 135.38 34.06 Favored 'General case' 0 C--N 1.325 -0.486 0 CA-C-N 116.004 -0.543 . . . . 0.0 110.096 176.078 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 57' ' ' MET . . . . . . . . . . . . . 0.5 OUTLIER -83.06 -19.43 36.87 Favored 'General case' 0 C--N 1.322 -0.612 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.77 -176.176 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 58' ' ' MET . . . . . . . . . . . . . 3.7 mpp? -73.87 -34.67 64.55 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-O 121.06 0.457 . . . . 0.0 110.598 -179.246 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 59' ' ' ASN . . . . . . . . . . . . . 2.1 m-20 -65.43 128.56 36.39 Favored 'General case' 0 C--N 1.326 -0.445 0 CA-C-N 115.656 -0.702 . . . . 0.0 110.9 -177.32 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 60' ' ' ALA . . . . . 0.493 ' O ' ' HG2' ' A' ' 64' ' ' LYS . . . -60.15 -24.38 64.67 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 115.814 -0.63 . . . . 0.0 110.277 178.174 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 28.3 mt-10 -48.95 -63.65 1.03 Allowed 'General case' 0 C--O 1.233 0.224 0 CA-C-N 115.43 -0.804 . . . . 0.0 110.671 174.862 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 62' ' ' HIS . . . . . 0.438 ' CG ' ' HB2' ' A' ' 55' ' ' LEU . 71.3 m-70 -81.15 -18.39 46.49 Favored 'General case' 0 C--N 1.326 -0.446 0 CA-C-N 115.328 -0.851 . . . . 0.0 110.424 -174.511 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 63' ' ' ARG . . . . . . . . . . . . . 6.8 tpp180 -64.98 -50.12 67.57 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.102 177.633 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 64' ' ' LYS . . . . . 0.493 ' HG2' ' O ' ' A' ' 60' ' ' ALA . 20.1 pttm -72.67 -27.21 61.96 Favored 'General case' 0 C--N 1.333 -0.147 0 C-N-CA 120.738 -0.385 . . . . 0.0 110.694 178.233 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 68.7 tp -59.49 -52.75 64.23 Favored 'General case' 0 C--O 1.233 0.19 0 N-CA-C 109.878 -0.416 . . . . 0.0 109.878 173.66 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 47.7 tp -58.5 -43.93 89.26 Favored 'General case' 0 N--CA 1.455 -0.209 0 CA-C-N 115.805 -0.634 . . . . 0.0 110.934 177.644 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 67' ' ' GLU . . . . . 0.504 ' O ' HG23 ' A' ' 71' ' ' VAL . 39.7 tt0 -59.32 -52.65 64.75 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.943 -179.062 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 68' ' ' GLN . . . . . 0.465 ' HB3' ' CD1' ' A' ' 82' ' ' ILE . 43.4 mt-30 -57.98 -50.45 73.36 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.076 -0.511 . . . . 0.0 111.707 -179.216 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 8.5 mm-40 -64.83 -33.92 77.14 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.141 -0.482 . . . . 0.0 111.122 -179.316 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 70' ' ' MET . . . . . . . . . . . . . 50.3 ttm -63.34 -51.23 66.79 Favored 'General case' 0 C--N 1.326 -0.444 0 CA-C-O 120.912 0.387 . . . . 0.0 110.687 178.652 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 71' ' ' VAL . . . . . 0.504 HG23 ' O ' ' A' ' 67' ' ' GLU . 10.8 t -73.03 -10.01 13.54 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.398 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.444 -177.85 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 72' ' ' SER . . . . . 0.471 ' O ' ' HG2' ' A' ' 76' ' ' GLU . 63.6 m -90.51 -63.89 1.21 Allowed 'General case' 0 C--N 1.326 -0.439 0 CA-C-N 116.622 -0.263 . . . . 0.0 111.336 174.608 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 73' ' ' PHE . . . . . . . . . . . . . 81.0 t80 -58.76 -36.69 74.78 Favored 'General case' 0 N--CA 1.464 0.231 0 CA-C-O 120.713 0.292 . . . . 0.0 111.701 -173.824 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 74' ' ' LEU . . . . . 0.499 ' O ' HD11 ' A' ' 34' ' ' ILE . 80.8 mt -97.79 -43.68 7.04 Favored 'General case' 0 C--N 1.322 -0.609 0 N-CA-C 112.21 0.448 . . . . 0.0 112.21 -174.918 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 75' ' ' PHE . . . . . 0.556 ' CZ ' ' HG3' ' A' ' 33' ' ' GLU . 2.8 t80 -99.49 -44.76 6.05 Favored 'General case' 0 C--N 1.322 -0.63 0 CA-C-N 116.287 -0.415 . . . . 0.0 111.985 -167.97 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 76' ' ' GLU . . . . . 0.626 ' HA ' ' OE1' ' A' ' 76' ' ' GLU . 2.7 mm-40 54.5 20.35 2.78 Favored 'General case' 0 N--CA 1.47 0.546 0 C-N-CA 123.546 0.739 . . . . 0.0 112.441 -172.765 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . -118.06 38.77 2.81 Favored Glycine 0 N--CA 1.446 -0.676 0 N-CA-C 109.947 -1.261 . . . . 0.0 109.947 172.816 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 11.9 pttm -70.07 124.63 24.57 Favored 'General case' 0 C--N 1.324 -0.508 0 CA-C-N 114.711 -0.745 . . . . 0.0 111.953 -175.172 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 79' ' ' ASP . . . . . . . . . . . . . 6.3 p-10 -84.35 -17.89 37.99 Favored 'General case' 0 C--N 1.319 -0.749 0 CA-C-N 114.924 -1.035 . . . . 0.0 109.862 174.845 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 80' ' ' VAL . . . . . . . . . . . . . 40.9 t -89.78 118.83 35.84 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.45 0 CA-C-N 115.479 -0.782 . . . . 0.0 109.481 174.654 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 81' ' ' HIS . . . . . . . . . . . . . 73.5 m80 -83.48 130.75 35.03 Favored 'General case' 0 C--N 1.32 -0.677 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.319 -177.786 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 82' ' ' ILE . . . . . 0.465 ' CD1' ' HB3' ' A' ' 68' ' ' GLN . 42.5 mt -99.98 111.49 29.77 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 CA-C-N 115.929 -0.578 . . . . 0.0 111.216 -175.116 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 37.9 tt0 -154.6 -61.66 0.12 Allowed 'General case' 0 C--N 1.323 -0.587 0 CA-C-N 115.912 -0.586 . . . . 0.0 109.591 174.831 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 84' ' ' GLY . . . . . . . . . . . . . . . -154.29 -131.4 1.52 Allowed Glycine 0 N--CA 1.447 -0.6 0 CA-C-N 115.683 -0.69 . . . . 0.0 111.693 178.989 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 85' ' ' TYR . . . . . . . . . . . . . 87.1 t80 -137.7 114.81 10.85 Favored 'General case' 0 C--N 1.319 -0.735 0 N-CA-C 109.849 -0.426 . . . . 0.0 109.849 177.986 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 86' ' ' THR . . . . . . . . . . . . . 8.4 t -99.64 116.46 64.83 Favored Pre-proline 0 C--N 1.323 -0.582 0 CA-C-N 116.343 -0.389 . . . . 0.0 110.747 -179.068 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 87' ' ' PRO . . . . . . . . . . . . . 7.2 Cg_exo -73.03 -67.73 0.02 OUTLIER 'Trans proline' 0 C--N 1.348 0.515 0 C-N-CA 122.565 2.176 . . . . 0.0 112.168 177.181 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 88' ' ' GLU . . . . . . . . . . . . . 41.2 mt-10 61.87 14.18 6.1 Favored 'General case' 0 N--CA 1.47 0.553 0 CA-C-N 115.929 -0.578 . . . . 0.0 111.723 -179.058 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 89' ' ' ASP . . . . . . . . . . . . . 38.1 t0 -107.46 145.55 32.89 Favored 'General case' 0 C--N 1.323 -0.567 0 CA-C-N 115.945 -0.57 . . . . 0.0 109.49 179.031 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 22.7 pttm -121.43 17.93 11.36 Favored 'General case' 0 C--N 1.321 -0.665 0 CA-C-O 121.049 0.452 . . . . 0.0 110.768 -176.397 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 91' ' ' LYS . . . . . . . . . . . . . 55.4 mtpt . . . . . 0 C--O 1.249 1.078 0 CA-C-O 118.27 -0.871 . . . . 0.0 109.97 176.512 . . . . . . . . 0 0 . 1 . 012 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 20.5 mmt . . . . . 0 N--CA 1.482 1.146 0 N-CA-C 110.496 -0.187 . . . . 0.0 110.496 . . . . . . . . . 0 0 . 1 . 012 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 24.3 m -70.01 151.69 45.27 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.255 -0.43 . . . . 0.0 111.108 178.91 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 3' ' ' ARG . . . . . 0.435 ' O ' ' HA ' ' A' ' 15' ' ' GLU . 30.9 tpt180 -133.13 96.85 3.85 Favored 'General case' 0 C--N 1.324 -0.507 0 N-CA-C 109.798 -0.445 . . . . 0.0 109.798 175.769 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 58.5 m -81.3 109.99 16.33 Favored 'General case' 0 C--N 1.323 -0.585 0 CA-C-O 121.094 0.473 . . . . 0.0 111.338 -179.017 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 5' ' ' ILE . . . . . . . . . . . . . 2.8 pp -126.21 162.03 30.8 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.564 0 CA-C-N 115.545 -0.752 . . . . 0.0 109.682 175.641 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 6' ' ' PHE . . . . . . . . . . . . . 86.9 m-85 -93.99 113.22 25.17 Favored 'General case' 0 C--N 1.32 -0.691 0 N-CA-C 109.77 -0.456 . . . . 0.0 109.77 175.121 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 7' ' ' CYS . . . . . 0.436 ' HA ' ' O ' ' A' ' 33' ' ' GLU . 42.7 t -78.67 137.23 37.71 Favored 'General case' 0 C--N 1.322 -0.601 0 CA-C-N 115.687 -0.688 . . . . 0.0 110.558 -175.88 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 3.0 p -60.08 -56.84 16.69 Favored 'General case' 0 C--N 1.324 -0.523 0 CA-C-N 115.8 -0.636 . . . . 0.0 112.427 -177.351 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 9' ' ' TYR . . . . . . . . . . . . . 46.0 t80 -73.55 -34.54 65.24 Favored 'General case' 0 C--N 1.324 -0.509 0 CA-C-O 120.631 0.253 . . . . 0.0 111.319 -173.963 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 10' ' ' LEU . . . . . 0.419 ' HB2' ' HB3' ' A' ' 7' ' ' CYS . 85.9 mt -80.26 -26.94 38.74 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-O 120.543 0.211 . . . . 0.0 110.953 -178.763 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 26.4 mm-40 63.9 19.65 11.84 Favored 'General case' 0 N--CA 1.466 0.364 0 CA-C-N 116.029 -0.532 . . . . 0.0 111.84 178.047 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 72.2 mtp180 -137.05 179.79 6.17 Favored 'General case' 0 C--N 1.325 -0.483 0 CA-C-N 116.164 -0.471 . . . . 0.0 109.871 178.133 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 6.0 p-10 -79.27 140.0 37.73 Favored 'General case' 0 C--N 1.325 -0.5 0 CA-C-O 121.022 0.439 . . . . 0.0 110.105 178.969 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -156.58 179.02 9.67 Favored 'General case' 0 C--N 1.321 -0.661 0 CA-C-N 115.652 -0.704 . . . . 0.0 109.792 -179.967 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 15' ' ' GLU . . . . . 0.435 ' HA ' ' O ' ' A' ' 3' ' ' ARG . 44.4 tt0 -81.39 134.69 35.6 Favored 'General case' 0 C--N 1.325 -0.458 0 CA-C-N 116.502 -0.317 . . . . 0.0 110.267 -179.831 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . -77.06 63.21 3.25 Favored Glycine 0 C--N 1.33 0.215 0 CA-C-N 116.226 -0.443 . . . . 0.0 113.125 -178.171 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 17' ' ' GLN . . . . . 0.635 ' O ' ' HE2' ' A' ' 36' ' ' LYS . 26.8 mt-30 47.14 -111.05 0.34 Allowed 'General case' 0 C--N 1.329 -0.286 0 N-CA-C 113.666 0.988 . . . . 0.0 113.666 176.489 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 1.5 t70 -148.73 -166.03 2.44 Favored 'General case' 0 C--N 1.326 -0.425 0 N-CA-C 109.743 -0.466 . . . . 0.0 109.743 -170.258 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 43.7 p90 -91.98 168.24 11.54 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-O 121.027 0.441 . . . . 0.0 111.075 179.81 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 29.3 mm-40 -76.56 101.05 5.51 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 116.006 -0.543 . . . . 0.0 110.729 179.731 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 21' ' ' LEU . . . . . 0.688 HD23 ' H ' ' A' ' 21' ' ' LEU . 2.7 pt? -90.0 -12.4 38.74 Favored 'General case' 0 C--N 1.325 -0.483 0 CA-C-N 115.997 -0.547 . . . . 0.0 111.457 -178.927 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 22' ' ' TYR . . . . . 0.436 ' HB3' ' HD3' ' A' ' 23' ' ' PRO . 55.4 t80 -160.93 -55.45 0.01 OUTLIER Pre-proline 0 CA--C 1.539 0.546 0 N-CA-C 112.798 0.666 . . . . 0.0 112.798 -177.236 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 23' ' ' PRO . . . . . 0.436 ' HD3' ' HB3' ' A' ' 22' ' ' TYR . 4.0 Cg_exo -73.97 176.28 9.69 Favored 'Trans proline' 0 C--N 1.355 0.905 0 C-N-CA 121.921 1.747 . . . . 0.0 113.492 -170.902 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -118.72 -109.77 2.4 Favored Glycine 0 N--CA 1.448 -0.53 0 CA-C-N 115.736 -0.666 . . . . 0.0 112.307 179.499 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -62.17 -39.53 92.98 Favored 'General case' 0 N--CA 1.464 0.232 0 CA-C-O 120.559 0.218 . . . . 0.0 111.513 -175.81 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 60.1 tp -68.46 -40.46 81.04 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 121.012 0.435 . . . . 0.0 109.858 -179.128 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . -60.2 -55.53 29.67 Favored Glycine 0 N--CA 1.445 -0.709 0 CA-C-N 115.602 -0.726 . . . . 0.0 111.811 178.397 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 55.2 mtpt -61.55 -36.19 79.91 Favored 'General case' 0 C--N 1.325 -0.497 0 C-N-CA 121.245 -0.182 . . . . 0.0 110.949 -178.074 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 48.9 ttm-85 -54.4 -43.65 71.66 Favored 'General case' 0 C--N 1.329 -0.294 0 O-C-N 123.542 0.526 . . . . 0.0 110.839 178.557 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 30' ' ' ILE . . . . . . . . . . . . . 62.5 mt -81.41 -46.55 20.3 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.517 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.852 -179.993 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 31' ' ' TYR . . . . . 0.421 ' HA ' ' OE1' ' A' ' 17' ' ' GLN . 6.7 m-85 -65.18 -14.49 60.73 Favored 'General case' 0 C--N 1.325 -0.471 0 N-CA-C 113.487 0.921 . . . . 0.0 113.487 -172.085 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 32' ' ' ASN . . . . . . . . . . . . . 2.6 p30 -102.3 -10.42 19.53 Favored 'General case' 0 C--N 1.325 -0.46 0 C-N-CA 119.98 -0.688 . . . . 0.0 111.32 -178.453 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 33' ' ' GLU . . . . . 0.436 ' O ' ' HA ' ' A' ' 7' ' ' CYS . 42.5 mt-10 -126.02 -4.83 6.85 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 121.144 0.497 . . . . 0.0 111.466 -178.015 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 34' ' ' ILE . . . . . 0.405 ' O ' ' HG3' ' A' ' 17' ' ' GLN . 22.0 mm -121.59 136.77 57.44 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.535 0 CA-C-O 121.06 0.457 . . . . 0.0 110.344 176.747 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 13.8 t -94.97 164.63 12.82 Favored 'General case' 0 N--CA 1.445 -0.687 0 CA-C-N 116.0 -0.546 . . . . 0.0 110.1 178.545 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 36' ' ' LYS . . . . . 0.635 ' HE2' ' O ' ' A' ' 17' ' ' GLN . 66.0 mttm -56.77 -33.96 67.13 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 115.926 -0.579 . . . . 0.0 111.004 -179.946 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 33.6 t70 -62.71 -55.78 23.65 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.467 -0.333 . . . . 0.0 111.167 -179.462 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -64.34 -39.26 93.53 Favored 'General case' 0 C--N 1.326 -0.449 0 CA-C-O 120.995 0.426 . . . . 0.0 110.637 179.12 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 39' ' ' TRP . . . . . . . . . . . . . 75.1 t-105 -61.96 -51.36 68.4 Favored 'General case' 0 C--N 1.325 -0.462 0 CA-C-N 115.614 -0.721 . . . . 0.0 110.996 179.64 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -64.99 -36.58 84.88 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.401 -0.363 . . . . 0.0 111.246 -177.882 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 41.3 mt-30 -65.71 -49.12 69.68 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.259 178.052 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 42' ' ' TRP . . . . . 0.412 ' HE1' ' HA ' ' A' ' 70' ' ' MET . 50.0 t-105 -70.91 -36.84 72.87 Favored 'General case' 0 C--O 1.222 -0.357 0 C-N-CA 120.442 -0.503 . . . . 0.0 110.983 -177.711 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 43' ' ' GLN . . . . . . . . . . . . . 33.6 mt-30 -55.67 -49.09 73.87 Favored 'General case' 0 CA--C 1.518 -0.264 0 CA-C-O 121.173 0.511 . . . . 0.0 110.283 174.972 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 44' ' ' HIS . . . . . . . . . . . . . 5.1 t60 -68.62 -45.81 70.93 Favored 'General case' 0 C--N 1.322 -0.609 0 CA-C-N 115.397 -0.82 . . . . 0.0 110.728 -176.301 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 45' ' ' LYS . . . . . 0.47 ' O ' ' HB3' ' A' ' 48' ' ' MET . 17.7 tppt? -65.89 -43.28 88.73 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.102 -178.765 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 46' ' ' GLN . . . . . 0.576 ' O ' HG13 ' A' ' 50' ' ' ILE . 55.5 tp60 -66.55 -31.91 72.93 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-N 116.523 -0.308 . . . . 0.0 110.48 -179.441 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 86.5 m -61.47 -40.54 94.89 Favored 'General case' 0 C--O 1.234 0.263 0 CA-C-O 120.945 0.402 . . . . 0.0 110.001 175.29 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 48' ' ' MET . . . . . 0.473 ' O ' ' HG2' ' A' ' 52' ' ' GLU . 48.9 tpp -57.41 -52.09 66.76 Favored 'General case' 0 C--N 1.332 -0.192 0 CA-C-N 115.921 -0.581 . . . . 0.0 109.748 172.775 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 10.5 mp -58.73 -39.57 81.25 Favored 'General case' 0 C--N 1.331 -0.204 0 CA-C-N 115.803 -0.635 . . . . 0.0 111.749 -179.556 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 50' ' ' ILE . . . . . 0.576 HG13 ' O ' ' A' ' 46' ' ' GLN . 75.9 mt -56.56 -49.33 78.09 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.448 0 CA-C-O 121.012 0.434 . . . . 0.0 110.461 178.394 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 51' ' ' ASN . . . . . . . . . . . . . 90.6 m-20 -70.22 -48.23 57.94 Favored 'General case' 0 C--N 1.322 -0.604 0 CA-C-N 115.986 -0.552 . . . . 0.0 111.024 -178.864 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 52' ' ' GLU . . . . . 0.473 ' HG2' ' O ' ' A' ' 48' ' ' MET . 14.3 mm-40 -65.3 -37.32 86.79 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-N 116.091 -0.504 . . . . 0.0 111.874 -175.579 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 53' ' ' LYS . . . . . 0.469 ' HE3' HD11 ' A' ' 55' ' ' LEU . 55.0 mtmt -94.0 7.42 45.15 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.886 -0.143 . . . . 0.0 111.349 -179.182 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 31.5 mmmt 59.73 39.16 21.26 Favored 'General case' 0 N--CA 1.469 0.525 0 O-C-N 123.473 0.483 . . . . 0.0 111.611 173.881 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 55' ' ' LEU . . . . . 0.469 HD11 ' HE3' ' A' ' 53' ' ' LYS . 43.1 mt -84.93 88.7 7.45 Favored 'General case' 0 C--N 1.324 -0.517 0 CA-C-N 116.028 -0.533 . . . . 0.0 110.938 -176.554 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 56' ' ' ASN . . . . . . . . . . . . . 28.5 p-10 -76.56 116.11 16.94 Favored 'General case' 0 C--N 1.323 -0.557 0 CA-C-O 121.6 0.714 . . . . 0.0 109.424 175.429 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 57' ' ' MET . . . . . . . . . . . . . 24.4 mmt -81.4 15.59 1.97 Allowed 'General case' 0 C--N 1.323 -0.582 0 CA-C-N 115.726 -0.67 . . . . 0.0 112.026 -170.061 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 58' ' ' MET . . . . . . . . . . . . . 88.5 mtp -86.41 -6.63 58.88 Favored 'General case' 0 C--N 1.325 -0.463 0 CA-C-O 121.308 0.575 . . . . 0.0 109.937 174.942 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 59' ' ' ASN . . . . . . . . . . . . . 45.5 m-80 -111.22 138.64 47.42 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 115.714 -0.675 . . . . 0.0 110.286 175.872 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 60' ' ' ALA . . . . . 0.541 ' O ' ' HG2' ' A' ' 64' ' ' LYS . . . -63.1 -24.18 67.78 Favored 'General case' 0 C--N 1.326 -0.446 0 CA-C-N 115.983 -0.553 . . . . 0.0 111.082 -178.471 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 11.1 mm-40 -56.52 -54.45 45.71 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 115.836 -0.62 . . . . 0.0 111.274 178.363 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 62' ' ' HIS . . . . . . . . . . . . . 88.6 m-70 -79.87 -22.3 43.04 Favored 'General case' 0 C--N 1.324 -0.539 0 CA-C-N 116.121 -0.491 . . . . 0.0 110.258 -176.691 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 63' ' ' ARG . . . . . . . . . . . . . 14.8 tpp180 -63.84 -53.18 54.69 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 115.861 -0.608 . . . . 0.0 110.487 178.519 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 64' ' ' LYS . . . . . 0.541 ' HG2' ' O ' ' A' ' 60' ' ' ALA . 16.1 pttm -69.62 -28.75 66.19 Favored 'General case' 0 C--N 1.332 -0.16 0 C-N-CA 120.69 -0.404 . . . . 0.0 110.528 177.944 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 65' ' ' LEU . . . . . 0.426 HD22 ' HA ' ' A' ' 65' ' ' LEU . 0.3 OUTLIER -61.81 -47.25 85.95 Favored 'General case' 0 C--N 1.329 -0.312 0 N-CA-C 109.4 -0.593 . . . . 0.0 109.4 176.204 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 28.8 tp -53.65 -49.41 67.99 Favored 'General case' 0 C--O 1.233 0.187 0 CA-C-N 115.764 -0.653 . . . . 0.0 110.645 175.367 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 67' ' ' GLU . . . . . 0.417 ' O ' HG23 ' A' ' 71' ' ' VAL . 42.1 tt0 -57.19 -51.44 69.31 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 115.186 -0.916 . . . . 0.0 110.568 178.909 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 68' ' ' GLN . . . . . . . . . . . . . 70.8 mt-30 -59.49 -43.08 93.41 Favored 'General case' 0 C--N 1.325 -0.477 0 CA-C-N 115.582 -0.735 . . . . 0.0 111.793 -177.921 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 19.3 mt-10 -65.41 -41.37 93.7 Favored 'General case' 0 C--O 1.234 0.261 0 CA-C-O 120.871 0.367 . . . . 0.0 110.538 178.607 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 70' ' ' MET . . . . . 0.412 ' HA ' ' HE1' ' A' ' 42' ' ' TRP . 52.8 ttm -63.74 -50.37 69.36 Favored 'General case' 0 C--N 1.331 -0.205 0 CA-C-N 115.911 -0.586 . . . . 0.0 111.368 -176.952 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 71' ' ' VAL . . . . . 0.417 HG23 ' O ' ' A' ' 67' ' ' GLU . 44.3 t -66.19 -32.94 60.34 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.351 0 CA-C-N 116.497 -0.32 . . . . 0.0 111.19 -177.763 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 47.6 m -71.35 -35.24 71.09 Favored 'General case' 0 C--N 1.325 -0.48 0 CA-C-O 120.567 0.223 . . . . 0.0 111.445 -179.483 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 73' ' ' PHE . . . . . . . . . . . . . 49.8 t80 -87.99 -57.18 3.03 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-O 120.694 0.283 . . . . 0.0 111.38 -176.522 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 74' ' ' LEU . . . . . . . . . . . . . 48.8 mt -72.85 -51.7 17.76 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.396 -0.366 . . . . 0.0 111.954 -174.144 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 75' ' ' PHE . . . . . . . . . . . . . 56.8 t80 -79.37 -42.9 24.55 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-N 116.608 -0.269 . . . . 0.0 110.332 -177.116 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 23.6 tt0 58.06 75.15 0.4 Allowed 'General case' 0 C--O 1.236 0.385 0 CA-C-O 122.01 0.909 . . . . 0.0 110.328 -177.922 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . 161.88 58.81 0.02 OUTLIER Glycine 0 N--CA 1.448 -0.529 0 CA-C-N 114.878 -1.055 . . . . 0.0 111.424 -177.287 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 78' ' ' LYS . . . . . 0.456 ' HD3' ' O ' ' A' ' 80' ' ' VAL . 1.5 pptp? -109.52 156.32 20.27 Favored 'General case' 0 C--N 1.322 -0.628 0 CA-C-O 120.72 0.295 . . . . 0.0 110.74 -178.37 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 79' ' ' ASP . . . . . . . . . . . . . 8.1 p-10 -102.24 -22.37 14.18 Favored 'General case' 0 C--N 1.324 -0.507 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.778 179.512 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 80' ' ' VAL . . . . . 0.456 ' O ' ' HD3' ' A' ' 78' ' ' LYS . 31.2 t -75.95 116.42 18.92 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.42 0 CA-C-N 115.917 -0.583 . . . . 0.0 110.798 -178.756 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 81' ' ' HIS . . . . . . . . . . . . . 3.1 m-70 -71.35 145.72 49.24 Favored 'General case' 0 C--N 1.324 -0.509 0 CA-C-N 116.291 -0.413 . . . . 0.0 111.003 177.353 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 82' ' ' ILE . . . . . . . . . . . . . 22.6 mt -111.76 87.57 1.01 Allowed 'Isoleucine or valine' 0 C--N 1.322 -0.597 0 N-CA-C 109.705 -0.48 . . . . 0.0 109.705 178.071 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 31.3 mm-40 -160.85 176.03 11.9 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-N 115.726 -0.67 . . . . 0.0 109.667 179.972 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 84' ' ' GLY . . . . . . . . . . . . . . . -76.62 101.36 1.52 Allowed Glycine 0 N--CA 1.449 -0.455 0 C-N-CA 120.976 -0.631 . . . . 0.0 112.252 177.727 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 85' ' ' TYR . . . . . . . . . . . . . 21.8 p90 -102.97 160.25 14.78 Favored 'General case' 0 C--N 1.324 -0.533 0 CA-C-O 120.952 0.406 . . . . 0.0 111.062 179.682 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 86' ' ' THR . . . . . . . . . . . . . 29.4 m -128.08 99.21 25.46 Favored Pre-proline 0 C--N 1.322 -0.624 0 CA-C-N 115.988 -0.551 . . . . 0.0 110.493 178.526 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 87' ' ' PRO . . . . . . . . . . . . . 71.9 Cg_endo -81.99 132.72 7.5 Favored 'Trans proline' 0 N--CA 1.461 -0.436 0 C-N-CA 122.627 2.218 . . . . 0.0 112.21 -178.94 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 88' ' ' GLU . . . . . . . . . . . . . 34.8 tt0 -77.38 -38.2 50.51 Favored 'General case' 0 C--N 1.324 -0.51 0 CA-C-N 115.968 -0.56 . . . . 0.0 110.186 178.823 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 89' ' ' ASP . . . . . . . . . . . . . 4.4 t70 -145.26 178.92 7.73 Favored 'General case' 0 C--N 1.325 -0.493 0 N-CA-C 108.856 -0.794 . . . . 0.0 108.856 178.861 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 24.4 pttm -154.25 14.95 0.46 Allowed 'General case' 0 C--N 1.324 -0.507 0 CA-C-O 121.108 0.48 . . . . 0.0 111.049 -178.128 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 91' ' ' LYS . . . . . . . . . . . . . 88.8 tttt . . . . . 0 C--O 1.247 0.964 0 CA-C-O 118.523 -0.751 . . . . 0.0 109.681 178.126 . . . . . . . . 0 0 . 1 . 013 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 58.5 ttp . . . . . 0 N--CA 1.477 0.901 0 CA-C-O 120.91 0.386 . . . . 0.0 110.826 . . . . . . . . . 0 0 . 1 . 013 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 57.0 p -99.92 -53.83 3.06 Favored 'General case' 0 C--N 1.32 -0.677 0 N-CA-C 108.511 -0.922 . . . . 0.0 108.511 174.266 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 3' ' ' ARG . . . . . . . . . . . . . 12.6 ttm180 -144.23 93.26 2.41 Favored 'General case' 0 C--N 1.323 -0.572 0 CA-C-N 115.502 -0.772 . . . . 0.0 109.176 171.402 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 30.0 m -68.1 113.46 5.79 Favored 'General case' 0 C--N 1.324 -0.53 0 CA-C-N 115.744 -0.662 . . . . 0.0 110.708 -179.304 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 5' ' ' ILE . . . . . . . . . . . . . 2.5 pp -123.87 160.57 27.58 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.698 0 CA-C-N 115.884 -0.598 . . . . 0.0 110.655 -179.567 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 6' ' ' PHE . . . . . . . . . . . . . 81.3 m-85 -90.34 95.35 10.14 Favored 'General case' 0 C--N 1.321 -0.657 0 N-CA-C 109.55 -0.537 . . . . 0.0 109.55 174.15 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 7' ' ' CYS . . . . . 0.415 ' HB3' ' HB2' ' A' ' 10' ' ' LEU . 50.0 t -53.64 141.06 27.19 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 115.451 -0.795 . . . . 0.0 111.215 -177.243 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 2.1 p -58.88 -39.3 80.99 Favored 'General case' 0 C--N 1.325 -0.495 0 CA-C-N 116.113 -0.494 . . . . 0.0 111.696 -178.671 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 9' ' ' TYR . . . . . . . . . . . . . 76.9 t80 -83.09 -42.13 17.76 Favored 'General case' 0 C--N 1.326 -0.439 0 CA-C-N 116.105 -0.498 . . . . 0.0 111.227 -176.939 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 10' ' ' LEU . . . . . 0.415 ' HB2' ' HB3' ' A' ' 7' ' ' CYS . 79.3 mt -81.41 -35.49 30.63 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.57 -0.286 . . . . 0.0 111.489 -174.382 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 26.2 mm-40 62.73 19.69 11.58 Favored 'General case' 0 N--CA 1.466 0.347 0 CA-C-O 121.135 0.493 . . . . 0.0 111.542 -176.97 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 78.3 mtp180 -128.76 177.01 7.37 Favored 'General case' 0 C--N 1.323 -0.556 0 CA-C-N 116.113 -0.494 . . . . 0.0 109.827 -179.303 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 5.1 m-20 -63.29 114.7 3.97 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 123.477 0.486 . . . . 0.0 110.182 176.504 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -132.56 174.19 10.53 Favored 'General case' 0 C--N 1.316 -0.876 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.599 -179.288 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 7.9 tp10 -100.99 134.85 43.36 Favored 'General case' 0 C--N 1.321 -0.652 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.758 -175.459 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . -66.65 128.48 29.65 Favored Glycine 0 N--CA 1.444 -0.789 0 C-N-CA 120.602 -0.809 . . . . 0.0 111.512 174.776 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 17' ' ' GLN . . . . . 0.528 ' O ' ' HB3' ' A' ' 31' ' ' TYR . 15.4 mm-40 -77.58 112.69 14.63 Favored 'General case' 0 C--N 1.323 -0.579 0 CA-C-O 120.891 0.377 . . . . 0.0 110.934 -179.389 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 6.4 m-20 -95.53 94.73 7.94 Favored 'General case' 0 C--N 1.323 -0.562 0 CA-C-O 120.959 0.409 . . . . 0.0 111.222 175.868 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 24.5 m-85 -144.57 127.69 16.6 Favored 'General case' 0 C--N 1.323 -0.574 0 CA-C-N 115.454 -0.794 . . . . 0.0 110.775 178.491 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 23.6 mm-40 -136.01 28.78 3.15 Favored 'General case' 0 C--N 1.321 -0.661 0 CA-C-N 115.289 -0.869 . . . . 0.0 109.211 177.901 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 21' ' ' LEU . . . . . 0.515 ' H ' ' CD1' ' A' ' 21' ' ' LEU . 0.0 OUTLIER -73.15 -6.3 44.88 Favored 'General case' 0 N--CA 1.465 0.308 0 CA-C-N 115.279 -0.873 . . . . 0.0 111.967 -173.616 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 22' ' ' TYR . . . . . 0.516 ' HB3' ' HD3' ' A' ' 23' ' ' PRO . 90.1 t80 -159.06 -53.05 0.01 OUTLIER Pre-proline 0 C--N 1.321 -0.631 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.894 -179.983 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 23' ' ' PRO . . . . . 0.516 ' HD3' ' HB3' ' A' ' 22' ' ' TYR . 83.9 Cg_endo -86.25 169.87 8.39 Favored 'Trans proline' 0 C--N 1.356 0.949 0 C-N-CA 121.738 1.626 . . . . 0.0 112.674 178.49 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -127.19 -97.57 0.98 Allowed Glycine 0 N--CA 1.447 -0.622 0 CA-C-N 115.686 -0.688 . . . . 0.0 111.824 178.246 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 3.5 tm-20 -59.22 -57.03 14.8 Favored 'General case' 0 CA--C 1.52 -0.177 0 O-C-N 123.736 0.316 . . . . 0.0 110.286 179.518 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 45.5 tp -61.3 -32.21 72.06 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.067 -0.515 . . . . 0.0 110.469 -179.052 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . -59.94 -62.37 6.16 Favored Glycine 0 N--CA 1.447 -0.575 0 C-N-CA 120.95 -0.643 . . . . 0.0 111.837 176.297 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 67.5 mttm -58.64 -35.74 72.98 Favored 'General case' 0 C--O 1.224 -0.257 0 CA-C-O 120.878 0.37 . . . . 0.0 110.507 179.313 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 29' ' ' ARG . . . . . 0.408 HH11 ' HD2' ' A' ' 29' ' ' ARG . 34.1 ttt85 -52.74 -44.51 66.49 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-N 115.698 -0.683 . . . . 0.0 110.858 178.938 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 30' ' ' ILE . . . . . . . . . . . . . 65.5 mt -80.24 -40.86 20.41 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 CA-C-N 115.996 -0.547 . . . . 0.0 110.686 178.561 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 31' ' ' TYR . . . . . 0.528 ' HB3' ' O ' ' A' ' 17' ' ' GLN . 19.4 m-85 -71.07 -8.86 56.35 Favored 'General case' 0 C--N 1.324 -0.524 0 N-CA-C 112.587 0.588 . . . . 0.0 112.587 -174.581 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 32' ' ' ASN . . . . . . . . . . . . . 5.3 m-20 -88.23 -21.77 24.33 Favored 'General case' 0 C--N 1.325 -0.484 0 CA-C-O 120.923 0.392 . . . . 0.0 110.383 174.949 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 31.3 mm-40 -104.63 -24.77 12.93 Favored 'General case' 0 C--N 1.325 -0.474 0 CA-C-N 115.991 -0.55 . . . . 0.0 110.182 -179.442 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 34' ' ' ILE . . . . . 0.433 HG13 ' HB3' ' A' ' 74' ' ' LEU . 29.6 mm -115.88 138.77 45.24 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.593 0 CA-C-N 115.726 -0.67 . . . . 0.0 111.228 -175.666 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 23.1 m -114.94 -171.06 1.87 Allowed 'General case' 0 N--CA 1.445 -0.71 0 CA-C-N 115.302 -0.863 . . . . 0.0 111.085 -178.56 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 36' ' ' LYS . . . . . 0.498 ' HA ' ' NE2' ' A' ' 17' ' ' GLN . 27.4 mmtp -54.76 -51.64 65.07 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 115.406 -0.815 . . . . 0.0 111.275 -175.186 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 14.5 t70 -56.89 -53.53 56.95 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 115.511 -0.768 . . . . 0.0 111.357 -173.559 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -69.36 -42.45 75.23 Favored 'General case' 0 C--N 1.324 -0.514 0 CA-C-N 115.928 -0.578 . . . . 0.0 111.54 -176.333 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 39' ' ' TRP . . . . . . . . . . . . . 74.4 t-105 -67.28 -50.56 59.85 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 120.771 0.32 . . . . 0.0 111.08 -176.593 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -61.0 -43.18 99.27 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.093 -0.503 . . . . 0.0 111.365 -176.215 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 92.8 mt-30 -69.12 -44.49 72.3 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 116.49 -0.323 . . . . 0.0 111.486 -177.71 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 42' ' ' TRP . . . . . 0.512 ' NE1' ' HA ' ' A' ' 70' ' ' MET . 32.5 t-105 -62.01 -50.75 70.82 Favored 'General case' 0 C--N 1.331 -0.23 0 C-N-CA 121.011 -0.276 . . . . 0.0 111.271 -179.621 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 43' ' ' GLN . . . . . . . . . . . . . 15.9 mm100 -62.9 -38.69 91.96 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-O 120.641 0.257 . . . . 0.0 111.008 -178.09 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 44' ' ' HIS . . . . . . . . . . . . . 80.4 t60 -64.23 -40.81 96.81 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-O 120.972 0.415 . . . . 0.0 110.213 176.6 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 22.9 tptm -64.84 -46.01 83.69 Favored 'General case' 0 C--N 1.326 -0.438 0 CA-C-N 116.087 -0.506 . . . . 0.0 110.56 179.43 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 46' ' ' GLN . . . . . 0.513 ' O ' HG13 ' A' ' 50' ' ' ILE . 60.0 tp60 -61.48 -42.19 98.4 Favored 'General case' 0 C--N 1.326 -0.443 0 CA-C-N 116.229 -0.442 . . . . 0.0 110.435 179.333 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 40.6 m -58.5 -37.78 76.29 Favored 'General case' 0 C--N 1.332 -0.153 0 CA-C-N 116.348 -0.387 . . . . 0.0 110.901 178.483 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 48' ' ' MET . . . . . . . . . . . . . 15.9 tpt -63.82 -40.88 97.67 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.552 179.62 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 11.0 mp -69.31 -31.36 69.78 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.333 -0.394 . . . . 0.0 110.553 178.267 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 50' ' ' ILE . . . . . 0.513 HG13 ' O ' ' A' ' 46' ' ' GLN . 73.0 mt -65.47 -37.82 80.98 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.211 174.769 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 51' ' ' ASN . . . . . . . . . . . . . 84.0 m-20 -71.3 -34.4 70.58 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-O 121.155 0.503 . . . . 0.0 110.237 178.218 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 32.4 tt0 -70.89 -56.32 6.53 Favored 'General case' 0 C--N 1.324 -0.506 0 CA-C-N 115.368 -0.833 . . . . 0.0 111.339 -178.256 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 51.6 mtmt -90.05 -12.69 37.77 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-N 116.008 -0.542 . . . . 0.0 111.808 -172.597 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 95.4 mttt 57.82 73.44 0.47 Allowed 'General case' 0 N--CA 1.465 0.278 0 O-C-N 123.698 0.624 . . . . 0.0 111.375 177.841 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 4.3 pp -124.3 154.9 39.58 Favored 'General case' 0 C--N 1.325 -0.489 0 CA-C-N 116.34 -0.391 . . . . 0.0 111.549 -177.057 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 56' ' ' ASN . . . . . . . . . . . . . 86.0 m-20 -113.64 142.48 45.94 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.79 177.629 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 57' ' ' MET . . . . . . . . . . . . . 24.0 mmt -85.79 6.73 26.68 Favored 'General case' 0 C--N 1.325 -0.457 0 CA-C-N 116.101 -0.5 . . . . 0.0 110.646 -179.074 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 58' ' ' MET . . . . . . . . . . . . . 70.9 mtm -78.17 -10.75 59.78 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.07 -0.514 . . . . 0.0 110.633 178.588 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 59' ' ' ASN . . . . . . . . . . . . . 68.6 m-20 -104.98 145.7 30.06 Favored 'General case' 0 C--N 1.325 -0.484 0 N-CA-C 109.673 -0.492 . . . . 0.0 109.673 177.518 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 60' ' ' ALA . . . . . 0.484 ' O ' ' HG2' ' A' ' 64' ' ' LYS . . . -61.29 -27.2 68.3 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-N 116.352 -0.385 . . . . 0.0 111.094 -179.591 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 61' ' ' GLU . . . . . 0.456 ' H ' ' HG3' ' A' ' 61' ' ' GLU . 9.8 mt-10 -46.0 -56.02 6.08 Favored 'General case' 0 C--O 1.237 0.405 0 CA-C-O 121.839 0.828 . . . . 0.0 110.526 176.911 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 62' ' ' HIS . . . . . 0.43 ' HA ' ' HB3' ' A' ' 65' ' ' LEU . 67.0 m-70 -93.78 -18.72 21.75 Favored 'General case' 0 C--N 1.32 -0.702 0 CA-C-N 114.981 -1.009 . . . . 0.0 110.776 -170.514 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 63' ' ' ARG . . . . . 0.59 ' NH1' ' HB2' ' A' ' 67' ' ' GLU . 0.0 OUTLIER -63.54 -44.0 95.47 Favored 'General case' 0 C--N 1.33 -0.266 0 N-CA-C 109.043 -0.725 . . . . 0.0 109.043 174.484 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 64' ' ' LYS . . . . . 0.484 ' HG2' ' O ' ' A' ' 60' ' ' ALA . 20.3 pttp -75.12 -29.36 60.54 Favored 'General case' 0 N--CA 1.455 -0.18 0 CA-C-N 116.368 -0.378 . . . . 0.0 110.416 176.654 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 65' ' ' LEU . . . . . 0.43 ' HB3' ' HA ' ' A' ' 62' ' ' HIS . 44.8 tp -56.02 -57.54 11.69 Favored 'General case' 0 C--O 1.233 0.222 0 CA-C-O 120.687 0.279 . . . . 0.0 110.422 174.061 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 10.1 tt -61.26 -40.06 92.67 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.011 -0.541 . . . . 0.0 109.892 179.063 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 67' ' ' GLU . . . . . 0.59 ' HB2' ' NH1' ' A' ' 63' ' ' ARG . 18.3 tp10 -49.92 -59.4 3.9 Favored 'General case' 0 C--O 1.239 0.522 0 CA-C-O 121.411 0.625 . . . . 0.0 110.613 175.374 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 68' ' ' GLN . . . . . 0.415 ' HB3' HG12 ' A' ' 82' ' ' ILE . 56.2 mt-30 -57.06 -60.95 2.84 Favored 'General case' 0 C--N 1.325 -0.475 0 CA-C-N 115.059 -0.973 . . . . 0.0 110.87 -179.022 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 69' ' ' GLU . . . . . 0.461 ' HB3' ' CZ2' ' A' ' 42' ' ' TRP . 5.6 mm-40 -61.43 -43.73 98.36 Favored 'General case' 0 C--N 1.325 -0.469 0 N-CA-C 112.899 0.703 . . . . 0.0 112.899 -172.814 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 70' ' ' MET . . . . . 0.512 ' HA ' ' NE1' ' A' ' 42' ' ' TRP . 59.9 ttp -61.12 -59.23 5.66 Favored 'General case' 0 CA--C 1.518 -0.251 0 CA-C-O 120.589 0.233 . . . . 0.0 111.185 -176.345 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 71' ' ' VAL . . . . . 0.508 ' HB ' ' HD2' ' A' ' 78' ' ' LYS . 59.2 t -67.79 -22.77 28.56 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.42 0 CA-C-O 121.016 0.436 . . . . 0.0 110.732 -176.919 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 17.1 t -74.55 -54.83 6.73 Favored 'General case' 0 C--O 1.22 -0.5 0 O-C-N 122.013 -0.43 . . . . 0.0 110.394 177.722 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 73' ' ' PHE . . . . . . . . . . . . . 68.2 t80 -64.01 -28.19 69.63 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-O 120.982 0.42 . . . . 0.0 111.11 -176.837 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 74' ' ' LEU . . . . . 0.433 ' HB3' HG13 ' A' ' 34' ' ' ILE . 93.3 mt -94.66 -28.46 15.34 Favored 'General case' 0 C--N 1.323 -0.563 0 N-CA-C 112.626 0.602 . . . . 0.0 112.626 -175.15 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 75' ' ' PHE . . . . . 0.472 ' HB2' ' O ' ' A' ' 71' ' ' VAL . 77.4 m-85 -115.95 -43.7 2.97 Favored 'General case' 0 N--CA 1.468 0.463 0 O-C-N 122.037 -0.414 . . . . 0.0 112.004 -178.615 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 6.5 mm-40 65.05 101.09 0.04 OUTLIER 'General case' 0 N--CA 1.463 0.221 0 O-C-N 123.735 0.647 . . . . 0.0 111.743 -175.946 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . 128.31 48.03 0.17 Allowed Glycine 0 N--CA 1.448 -0.552 0 C-N-CA 120.728 -0.748 . . . . 0.0 112.583 178.201 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 78' ' ' LYS . . . . . 0.508 ' HD2' ' HB ' ' A' ' 71' ' ' VAL . 42.2 mtpt -78.68 170.46 16.62 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 121.156 0.503 . . . . 0.0 111.064 179.539 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 79' ' ' ASP . . . . . . . . . . . . . 50.6 m-20 -90.75 -24.85 20.25 Favored 'General case' 0 C--N 1.323 -0.548 0 N-CA-C 109.336 -0.616 . . . . 0.0 109.336 173.14 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 80' ' ' VAL . . . . . . . . . . . . . 46.4 t -80.71 116.78 25.54 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.344 0 CA-C-N 115.366 -0.834 . . . . 0.0 109.064 172.923 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 81' ' ' HIS . . . . . . . . . . . . . 56.0 m80 -80.32 129.34 34.44 Favored 'General case' 0 C--N 1.324 -0.536 0 CA-C-N 116.283 -0.417 . . . . 0.0 111.353 -172.631 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 82' ' ' ILE . . . . . 0.415 HG12 ' HB3' ' A' ' 68' ' ' GLN . 25.0 mt -99.98 88.06 1.48 Allowed 'Isoleucine or valine' 0 C--N 1.323 -0.584 0 CA-C-O 121.3 0.571 . . . . 0.0 109.934 176.887 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 9.1 pt-20 -150.8 -39.97 0.13 Allowed 'General case' 0 C--N 1.319 -0.744 0 CA-C-N 115.344 -0.844 . . . . 0.0 109.584 -179.826 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 84' ' ' GLY . . . . . . . . . . . . . . . -132.36 126.47 4.56 Favored Glycine 0 N--CA 1.44 -1.038 0 N-CA-C 110.714 -0.955 . . . . 0.0 110.714 174.605 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 85' ' ' TYR . . . . . . . . . . . . . 95.4 m-85 -83.54 82.55 8.25 Favored 'General case' 0 C--N 1.321 -0.641 0 CA-C-O 121.204 0.525 . . . . 0.0 110.399 -178.978 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 86' ' ' THR . . . . . . . . . . . . . 6.8 m -75.17 113.25 23.46 Favored Pre-proline 0 C--N 1.323 -0.547 0 CA-C-N 115.348 -0.842 . . . . 0.0 110.869 -179.376 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 87' ' ' PRO . . . . . . . . . . . . . 88.4 Cg_endo -87.78 -23.08 1.37 Allowed 'Trans proline' 0 N--CA 1.458 -0.576 0 C-N-CA 122.643 2.229 . . . . 0.0 113.117 179.945 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 88' ' ' GLU . . . . . . . . . . . . . 40.2 mt-10 -143.42 148.6 36.4 Favored 'General case' 0 C--N 1.33 -0.258 0 N-CA-C 110.134 -0.321 . . . . 0.0 110.134 -177.08 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 89' ' ' ASP . . . . . . . . . . . . . 38.0 t70 65.04 87.45 0.12 Allowed 'General case' 0 N--CA 1.468 0.433 0 O-C-N 123.898 0.748 . . . . 0.0 111.667 177.285 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 67.6 mttm -70.23 137.24 50.69 Favored 'General case' 0 C--N 1.328 -0.365 0 N-CA-C 109.317 -0.623 . . . . 0.0 109.317 175.665 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 91' ' ' LYS . . . . . . . . . . . . . 25.6 mmmt . . . . . 0 C--O 1.247 0.922 0 CA-C-O 118.966 -0.54 . . . . 0.0 110.083 -175.938 . . . . . . . . 0 0 . 1 . 014 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 2.9 mmt . . . . . 0 N--CA 1.483 1.181 0 CA-C-O 120.653 0.263 . . . . 0.0 110.602 . . . . . . . . . 0 0 . 1 . 014 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 15.1 m -112.86 120.33 41.07 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-N 116.505 -0.316 . . . . 0.0 111.346 -175.141 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 3' ' ' ARG . . . . . . . . . . . . . 59.8 ttp180 -96.63 91.44 5.74 Favored 'General case' 0 C--N 1.325 -0.494 0 N-CA-C 108.779 -0.823 . . . . 0.0 108.779 171.93 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 1.7 m -93.65 125.43 38.26 Favored 'General case' 0 C--N 1.318 -0.789 0 CA-C-N 115.542 -0.754 . . . . 0.0 110.23 -175.739 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 5' ' ' ILE . . . . . . . . . . . . . 2.7 pp -129.75 174.03 13.2 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.571 0 CA-C-O 120.986 0.422 . . . . 0.0 111.317 -175.184 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 6' ' ' PHE . . . . . . . . . . . . . 98.7 m-85 -92.59 106.09 18.13 Favored 'General case' 0 C--N 1.321 -0.656 0 N-CA-C 109.54 -0.541 . . . . 0.0 109.54 175.373 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 7' ' ' CYS . . . . . 0.57 ' SG ' ' HB2' ' A' ' 10' ' ' LEU . 13.8 p -82.4 140.15 33.63 Favored 'General case' 0 C--N 1.323 -0.582 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.662 -177.968 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 12.7 p -75.36 -20.27 59.1 Favored 'General case' 0 C--N 1.326 -0.442 0 N-CA-C 112.644 0.609 . . . . 0.0 112.644 -175.635 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 9' ' ' TYR . . . . . . . . . . . . . 47.1 t80 -74.71 -50.05 18.93 Favored 'General case' 0 C--N 1.327 -0.398 0 C-N-CA 120.683 -0.407 . . . . 0.0 110.732 178.239 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 10' ' ' LEU . . . . . 0.57 ' HB2' ' SG ' ' A' ' 7' ' ' CYS . 68.7 mt -86.59 -19.16 29.79 Favored 'General case' 0 C--N 1.325 -0.468 0 CA-C-N 116.459 -0.337 . . . . 0.0 110.578 -179.018 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 74.4 mm-40 63.13 28.11 15.91 Favored 'General case' 0 C--O 1.233 0.194 0 CA-C-N 115.684 -0.689 . . . . 0.0 111.166 179.713 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 29.5 ptt180 -155.27 176.73 12.19 Favored 'General case' 0 N--CA 1.448 -0.54 0 CA-C-O 121.211 0.529 . . . . 0.0 111.295 177.948 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 20.7 t70 -66.51 123.97 21.49 Favored 'General case' 0 C--N 1.323 -0.561 0 CA-C-N 114.707 -1.133 . . . . 0.0 111.853 -173.441 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -156.5 168.03 28.63 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.279 -179.167 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 15' ' ' GLU . . . . . 0.553 ' O ' ' HA ' ' A' ' 35' ' ' SER . 9.1 mp0 -70.01 125.3 26.34 Favored 'General case' 0 CA--C 1.514 -0.432 0 N-CA-C 110.188 -0.301 . . . . 0.0 110.188 -179.274 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . -71.66 160.42 54.05 Favored Glycine 0 N--CA 1.447 -0.624 0 C-N-CA 120.579 -0.82 . . . . 0.0 111.44 177.057 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 17' ' ' GLN . . . . . . . . . . . . . 59.2 tp60 -66.54 163.61 18.3 Favored 'General case' 0 C--N 1.327 -0.412 0 N-CA-C 109.321 -0.622 . . . . 0.0 109.321 177.902 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 11.5 t70 -73.71 -94.29 0.02 OUTLIER 'General case' 0 C--N 1.327 -0.371 0 N-CA-C 112.849 0.685 . . . . 0.0 112.849 -168.32 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 24.2 m-85 -147.74 -171.55 3.84 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 121.07 0.462 . . . . 0.0 111.94 -174.443 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 13.9 mm100 -70.87 93.88 1.01 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 115.249 -0.887 . . . . 0.0 110.921 -178.106 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -107.58 -2.49 20.25 Favored 'General case' 0 C--N 1.321 -0.659 0 CA-C-N 115.955 -0.566 . . . . 0.0 111.498 179.27 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 22' ' ' TYR . . . . . 0.491 ' HB3' ' HD3' ' A' ' 23' ' ' PRO . 71.1 t80 -168.28 -54.54 0.0 OUTLIER Pre-proline 0 CA--C 1.538 0.509 0 N-CA-C 112.519 0.563 . . . . 0.0 112.519 -179.428 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 23' ' ' PRO . . . . . 0.491 ' HD3' ' HB3' ' A' ' 22' ' ' TYR . 2.8 Cg_endo -84.47 -178.61 3.44 Favored 'Trans proline' 0 C--N 1.357 0.985 0 C-N-CA 122.133 1.889 . . . . 0.0 112.736 -174.112 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -111.09 -128.16 5.26 Favored Glycine 0 N--CA 1.45 -0.381 0 C-N-CA 120.968 -0.634 . . . . 0.0 112.962 -177.946 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 25' ' ' GLU . . . . . 0.42 ' O ' ' HG2' ' A' ' 28' ' ' LYS . 0.8 OUTLIER -58.89 -46.81 86.94 Favored 'General case' 0 N--CA 1.465 0.289 0 N-CA-C 112.497 0.554 . . . . 0.0 112.497 -174.422 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 91.3 mt -64.46 -34.55 78.46 Favored 'General case' 0 C--N 1.326 -0.455 0 CA-C-O 120.714 0.292 . . . . 0.0 110.35 179.4 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 27' ' ' GLY . . . . . 0.447 ' HA3' ' HB2' ' A' ' 23' ' ' PRO . . . -60.09 -55.87 27.85 Favored Glycine 0 N--CA 1.445 -0.766 0 C-N-CA 120.771 -0.728 . . . . 0.0 111.794 178.383 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 28' ' ' LYS . . . . . 0.42 ' HG2' ' O ' ' A' ' 25' ' ' GLU . 47.6 pttt -64.33 -35.65 81.57 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.585 0.231 . . . . 0.0 110.69 -177.934 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 59.8 ttt180 -57.99 -54.99 40.68 Favored 'General case' 0 N--CA 1.454 -0.263 0 N-CA-C 109.991 -0.374 . . . . 0.0 109.991 177.512 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 30' ' ' ILE . . . . . . . . . . . . . 88.2 mt -62.57 -37.65 79.45 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.422 0 CA-C-N 115.661 -0.7 . . . . 0.0 110.858 -179.34 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 31' ' ' TYR . . . . . . . . . . . . . 15.5 m-30 -61.68 -26.51 68.07 Favored 'General case' 0 C--N 1.327 -0.384 0 N-CA-C 111.749 0.278 . . . . 0.0 111.749 -179.191 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 32' ' ' ASN . . . . . . . . . . . . . 26.5 m-80 -87.72 -5.65 58.57 Favored 'General case' 0 C--N 1.326 -0.449 0 N-CA-C 112.063 0.394 . . . . 0.0 112.063 -179.7 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 33' ' ' GLU . . . . . 0.463 ' O ' ' HA ' ' A' ' 7' ' ' CYS . 8.7 pt-20 -132.43 13.93 4.55 Favored 'General case' 0 C--N 1.326 -0.439 0 CA-C-O 121.125 0.488 . . . . 0.0 111.178 178.612 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 34' ' ' ILE . . . . . 0.445 HD13 ' HA ' ' A' ' 34' ' ' ILE . 11.7 mm -135.14 133.61 53.11 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.424 0 CA-C-O 121.256 0.551 . . . . 0.0 110.665 178.025 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 35' ' ' SER . . . . . 0.553 ' HA ' ' O ' ' A' ' 15' ' ' GLU . 15.6 t -74.28 158.2 34.47 Favored 'General case' 0 C--N 1.323 -0.578 0 CA-C-N 115.144 -0.934 . . . . 0.0 111.88 -176.207 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 32.1 mmtp -50.85 -42.49 58.7 Favored 'General case' 0 C--O 1.232 0.159 0 CA-C-N 115.269 -0.878 . . . . 0.0 109.67 169.993 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 2.5 m-20 -64.77 -56.81 11.31 Favored 'General case' 0 CA--C 1.518 -0.281 0 CA-C-N 115.186 -0.916 . . . . 0.0 110.472 179.373 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -56.83 -44.91 82.53 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 115.642 -0.708 . . . . 0.0 112.056 -175.325 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 39' ' ' TRP . . . . . . . . . . . . . 76.8 t-105 -64.08 -43.54 95.11 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-O 120.981 0.42 . . . . 0.0 110.732 -178.953 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -67.58 -40.52 84.84 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 115.938 -0.574 . . . . 0.0 110.753 -179.55 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 90.4 mt-30 -57.7 -45.6 85.46 Favored 'General case' 0 C--N 1.331 -0.21 0 CA-C-N 115.822 -0.626 . . . . 0.0 111.166 178.992 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 42' ' ' TRP . . . . . . . . . . . . . 25.1 t-105 -62.64 -49.48 75.01 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.444 -0.343 . . . . 0.0 111.189 -179.901 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 43' ' ' GLN . . . . . . . . . . . . . 41.2 mt-30 -60.42 -42.56 96.28 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-O 120.914 0.388 . . . . 0.0 110.29 179.771 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 44' ' ' HIS . . . . . . . . . . . . . 8.2 t-160 -60.18 -47.49 85.72 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 115.769 -0.65 . . . . 0.0 110.105 179.383 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 17.3 tppt? -61.44 -52.42 64.61 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 115.434 -0.803 . . . . 0.0 110.738 178.727 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 46' ' ' GLN . . . . . 0.561 ' O ' HG13 ' A' ' 50' ' ' ILE . 6.6 tp-100 -62.93 -37.25 86.26 Favored 'General case' 0 C--O 1.22 -0.461 0 CA-C-N 116.347 -0.388 . . . . 0.0 111.297 -176.476 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 89.0 m -56.42 -44.92 80.82 Favored 'General case' 0 C--O 1.237 0.422 0 CA-C-O 121.198 0.523 . . . . 0.0 110.421 176.919 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 48' ' ' MET . . . . . . . . . . . . . 26.9 ttt -63.0 -44.64 95.46 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 115.74 -0.664 . . . . 0.0 110.007 176.425 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 8.5 mp -61.51 -38.33 86.95 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 115.961 -0.563 . . . . 0.0 111.747 -179.835 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 50' ' ' ILE . . . . . 0.561 HG13 ' O ' ' A' ' 46' ' ' GLN . 76.4 mt -62.71 -36.71 76.58 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.428 0 CA-C-O 120.75 0.31 . . . . 0.0 110.458 178.176 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 51' ' ' ASN . . . . . . . . . . . . . 87.7 m-20 -76.44 -26.99 56.04 Favored 'General case' 0 C--N 1.323 -0.555 0 CA-C-N 116.381 -0.372 . . . . 0.0 111.208 178.449 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 13.3 mm-40 -84.09 -48.65 9.66 Favored 'General case' 0 C--N 1.324 -0.536 0 CA-C-N 116.344 -0.389 . . . . 0.0 111.397 -179.453 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 93.9 mttt -73.33 -28.95 62.36 Favored 'General case' 0 C--N 1.324 -0.502 0 N-CA-C 109.568 -0.53 . . . . 0.0 109.568 178.447 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 97.3 mttt 51.33 77.39 0.14 Allowed 'General case' 0 C--O 1.234 0.248 0 CA-C-N 115.128 -0.942 . . . . 0.0 111.077 -175.028 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 55' ' ' LEU . . . . . 0.441 ' O ' HD12 ' A' ' 55' ' ' LEU . 2.8 pp -126.0 155.31 41.64 Favored 'General case' 0 C--N 1.322 -0.601 0 CA-C-N 114.697 -1.138 . . . . 0.0 110.866 -177.137 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 56' ' ' ASN . . . . . . . . . . . . . 9.2 m120 -98.39 119.82 37.73 Favored 'General case' 0 C--N 1.323 -0.584 0 CA-C-N 115.805 -0.634 . . . . 0.0 109.834 179.13 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 57' ' ' MET . . . . . . . . . . . . . 21.1 mmt -74.41 -7.26 52.31 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-O 120.97 0.414 . . . . 0.0 111.165 179.25 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 58' ' ' MET . . . . . . . . . . . . . 1.9 mpt? -64.78 -32.53 74.26 Favored 'General case' 0 C--N 1.327 -0.413 0 CA-C-N 115.941 -0.572 . . . . 0.0 110.402 176.666 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 59' ' ' ASN . . . . . . . . . . . . . 15.1 m120 -81.61 136.31 35.54 Favored 'General case' 0 C--N 1.325 -0.477 0 CA-C-N 115.936 -0.574 . . . . 0.0 110.32 -179.181 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -58.73 -30.39 67.43 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.15 -179.433 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 48.5 mt-10 -46.28 -55.99 6.43 Favored 'General case' 0 N--CA 1.464 0.244 0 CA-C-N 115.682 -0.69 . . . . 0.0 111.233 174.958 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 62' ' ' HIS . . . . . . . . . . . . . 29.2 m80 -85.38 -21.07 29.01 Favored 'General case' 0 C--N 1.323 -0.562 0 CA-C-N 115.206 -0.906 . . . . 0.0 110.847 -171.961 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 63' ' ' ARG . . . . . . . . . . . . . 22.7 tpp180 -65.28 -50.44 65.73 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.225 178.345 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 64' ' ' LYS . . . . . 0.55 ' O ' ' HG3' ' A' ' 68' ' ' GLN . 45.4 pttt -75.13 -26.77 59.44 Favored 'General case' 0 C--N 1.327 -0.387 0 C-N-CA 120.37 -0.532 . . . . 0.0 109.973 179.081 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 65' ' ' LEU . . . . . 0.427 ' O ' ' HG3' ' A' ' 69' ' ' GLU . 60.9 tp -59.42 -46.42 88.77 Favored 'General case' 0 C--O 1.233 0.196 0 N-CA-C 109.749 -0.463 . . . . 0.0 109.749 174.868 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 54.7 tp -54.87 -46.1 74.67 Favored 'General case' 0 N--CA 1.454 -0.25 0 CA-C-N 115.663 -0.699 . . . . 0.0 110.435 174.774 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 67' ' ' GLU . . . . . 0.478 ' O ' HG23 ' A' ' 71' ' ' VAL . 35.8 tt0 -59.07 -50.95 72.1 Favored 'General case' 0 C--N 1.331 -0.239 0 CA-C-N 115.973 -0.558 . . . . 0.0 110.826 178.248 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 68' ' ' GLN . . . . . 0.55 ' HG3' ' O ' ' A' ' 64' ' ' LYS . 75.4 mt-30 -58.94 -44.66 91.44 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.36 -0.382 . . . . 0.0 111.193 -177.836 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 69' ' ' GLU . . . . . 0.427 ' HG3' ' O ' ' A' ' 65' ' ' LEU . 33.2 mt-10 -66.44 -39.16 88.73 Favored 'General case' 0 C--N 1.331 -0.198 0 CA-C-O 120.873 0.368 . . . . 0.0 110.239 178.618 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 70' ' ' MET . . . . . . . . . . . . . 49.8 ttm -62.54 -48.55 79.03 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.847 179.961 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 71' ' ' VAL . . . . . 0.478 HG23 ' O ' ' A' ' 67' ' ' GLU . 59.5 t -65.88 -24.69 34.6 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 CA-C-N 115.741 -0.663 . . . . 0.0 110.57 -179.772 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 9.3 t -79.71 -33.54 40.86 Favored 'General case' 0 C--N 1.323 -0.56 0 CA-C-O 120.832 0.348 . . . . 0.0 110.673 178.746 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 73' ' ' PHE . . . . . . . . . . . . . 64.0 t80 -86.58 -51.39 6.19 Favored 'General case' 0 C--N 1.324 -0.535 0 CA-C-N 116.326 -0.397 . . . . 0.0 111.522 -174.871 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 74' ' ' LEU . . . . . . . . . . . . . 96.1 mt -92.56 -36.95 12.74 Favored 'General case' 0 C--N 1.324 -0.517 0 N-CA-C 112.087 0.403 . . . . 0.0 112.087 -172.992 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 75' ' ' PHE . . . . . 0.426 ' HB3' ' O ' ' A' ' 71' ' ' VAL . 21.3 t80 -90.73 -42.7 10.56 Favored 'General case' 0 C--N 1.323 -0.544 0 CA-C-N 116.362 -0.381 . . . . 0.0 110.929 -172.477 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 21.8 mm-40 63.28 24.25 14.19 Favored 'General case' 0 N--CA 1.467 0.397 0 CA-C-N 115.851 -0.613 . . . . 0.0 111.488 -179.01 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . -134.76 65.78 0.57 Allowed Glycine 0 N--CA 1.448 -0.504 0 N-CA-C 111.375 -0.69 . . . . 0.0 111.375 177.452 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -119.79 128.98 54.23 Favored 'General case' 0 C--N 1.323 -0.575 0 CA-C-O 121.296 0.569 . . . . 0.0 111.517 -176.235 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 79' ' ' ASP . . . . . . . . . . . . . 7.7 m-20 -101.12 -21.02 15.08 Favored 'General case' 0 C--N 1.321 -0.641 0 CA-C-N 115.387 -0.824 . . . . 0.0 109.987 178.45 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 80' ' ' VAL . . . . . . . . . . . . . 18.9 t -65.82 129.68 30.36 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 115.567 -0.742 . . . . 0.0 110.567 -178.517 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 81' ' ' HIS . . . . . . . . . . . . . 36.5 m170 -70.51 117.63 12.29 Favored 'General case' 0 C--N 1.325 -0.458 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.459 -178.88 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 82' ' ' ILE . . . . . 0.446 HG12 ' HB3' ' A' ' 68' ' ' GLN . 24.8 mt -85.02 113.03 22.89 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.41 0 CA-C-N 115.966 -0.561 . . . . 0.0 110.527 -178.057 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 24.8 tt0 -166.57 -51.95 0.03 OUTLIER 'General case' 0 C--N 1.326 -0.422 0 CA-C-N 115.946 -0.57 . . . . 0.0 109.686 179.923 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 84' ' ' GLY . . . . . . . . . . . . . . . 144.07 148.77 4.94 Favored Glycine 0 N--CA 1.447 -0.589 0 CA-C-N 115.635 -0.711 . . . . 0.0 111.682 177.68 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 85' ' ' TYR . . . . . . . . . . . . . 85.6 m-85 58.14 -159.25 0.27 Allowed 'General case' 0 C--O 1.237 0.397 0 O-C-N 123.709 0.299 . . . . 0.0 110.618 179.878 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 86' ' ' THR . . . . . 0.482 HG21 ' HA ' ' A' ' 90' ' ' LYS . 49.4 m -82.26 115.58 58.59 Favored Pre-proline 0 C--N 1.322 -0.624 0 N-CA-C 108.933 -0.765 . . . . 0.0 108.933 173.206 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 87' ' ' PRO . . . . . 0.489 ' HB2' ' OE2' ' A' ' 88' ' ' GLU . 8.6 Cg_endo -48.84 -69.97 0.07 OUTLIER 'Trans proline' 0 C--N 1.345 0.39 0 C-N-CA 123.554 2.836 . . . . 0.0 114.083 -168.781 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 88' ' ' GLU . . . . . 0.489 ' OE2' ' HB2' ' A' ' 87' ' ' PRO . 1.1 pm0 -114.71 -75.06 0.59 Allowed 'General case' 0 C--N 1.328 -0.347 0 N-CA-C 112.466 0.543 . . . . 0.0 112.466 -176.912 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 89' ' ' ASP . . . . . 0.48 ' H ' ' HG2' ' A' ' 88' ' ' GLU . 28.2 t70 -101.99 127.3 48.91 Favored 'General case' 0 C--N 1.324 -0.528 0 CA-C-O 120.832 0.348 . . . . 0.0 110.963 -174.264 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 90' ' ' LYS . . . . . 0.482 ' HA ' HG21 ' A' ' 86' ' ' THR . 62.4 mttp -85.85 117.59 24.81 Favored 'General case' 0 C--N 1.325 -0.468 0 CA-C-N 116.02 -0.536 . . . . 0.0 110.733 178.978 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 91' ' ' LYS . . . . . . . . . . . . . 49.4 mtmt . . . . . 0 C--O 1.25 1.112 0 CA-C-O 118.232 -0.889 . . . . 0.0 109.441 174.57 . . . . . . . . 0 0 . 1 . 015 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 11.7 tpt . . . . . 0 N--CA 1.483 1.191 0 CA-C-O 120.657 0.265 . . . . 0.0 110.347 . . . . . . . . . 0 0 . 1 . 015 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 11.3 m 66.12 -177.54 0.19 Allowed 'General case' 0 CA--C 1.532 0.274 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.122 -177.837 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 3' ' ' ARG . . . . . . . . . . . . . 17.9 ptp180 -84.45 125.88 32.76 Favored 'General case' 0 C--N 1.326 -0.418 0 C-N-CA 120.564 -0.454 . . . . 0.0 110.495 178.405 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 9.0 p -86.58 104.01 15.62 Favored 'General case' 0 C--N 1.322 -0.594 0 CA-C-N 115.835 -0.62 . . . . 0.0 110.6 179.647 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 5' ' ' ILE . . . . . . . . . . . . . 2.8 pp -118.04 167.44 11.26 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.667 0 CA-C-N 115.778 -0.646 . . . . 0.0 111.468 -174.809 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 6' ' ' PHE . . . . . . . . . . . . . 99.5 m-85 -93.23 101.15 13.41 Favored 'General case' 0 C--N 1.323 -0.555 0 CA-C-N 116.215 -0.448 . . . . 0.0 109.81 178.248 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 7' ' ' CYS . . . . . 0.438 ' HA ' ' O ' ' A' ' 33' ' ' GLU . 53.5 t -72.7 130.57 40.82 Favored 'General case' 0 C--N 1.324 -0.512 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.69 -178.053 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 3.6 p -64.65 -41.34 96.18 Favored 'General case' 0 C--N 1.326 -0.45 0 CA-C-N 116.088 -0.506 . . . . 0.0 112.006 -178.262 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 9' ' ' TYR . . . . . . . . . . . . . 66.1 t80 -75.48 -37.94 59.91 Favored 'General case' 0 C--N 1.324 -0.508 0 CA-C-N 116.458 -0.337 . . . . 0.0 111.102 -176.612 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 98.6 mt -84.93 -32.95 22.81 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.569 -0.287 . . . . 0.0 111.73 -177.143 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 86.0 mm-40 62.71 32.15 16.28 Favored 'General case' 0 N--CA 1.464 0.244 0 CA-C-O 121.461 0.648 . . . . 0.0 110.041 -174.156 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 27.9 mmt180 -135.52 176.37 8.74 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 115.105 -0.952 . . . . 0.0 109.627 -179.657 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 10.8 m-20 -84.75 121.6 27.92 Favored 'General case' 0 C--N 1.324 -0.531 0 N-CA-C 108.968 -0.753 . . . . 0.0 108.968 173.961 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -140.95 173.34 11.58 Favored 'General case' 0 C--N 1.318 -0.783 0 CA-C-N 116.433 -0.348 . . . . 0.0 110.296 -178.087 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 11.3 pt-20 -78.23 144.02 36.61 Favored 'General case' 0 C--N 1.323 -0.545 0 N-CA-C 110.078 -0.341 . . . . 0.0 110.078 179.601 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . -77.49 41.01 1.82 Allowed Glycine 0 C--O 1.229 -0.166 0 C-N-CA 121.183 -0.532 . . . . 0.0 112.792 179.045 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 17' ' ' GLN . . . . . . . . . . . . . 15.8 pt20 43.75 -151.94 0.03 OUTLIER 'General case' 0 CA--C 1.541 0.623 0 C-N-CA 124.766 1.227 . . . . 0.0 113.391 175.625 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 2.5 m-20 -68.77 176.49 3.0 Favored 'General case' 0 N--CA 1.465 0.303 0 CA-C-O 121.534 0.683 . . . . 0.0 112.338 -177.856 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 63.0 t80 -90.78 164.12 14.21 Favored 'General case' 0 C--N 1.324 -0.503 0 CA-C-N 115.297 -0.865 . . . . 0.0 110.198 179.77 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 15.4 mm100 -44.92 127.54 6.51 Favored 'General case' 0 N--CA 1.465 0.321 0 O-C-N 123.81 0.694 . . . . 0.0 112.109 178.026 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 3.4 mp -101.84 -69.62 0.78 Allowed 'General case' 0 C--N 1.326 -0.415 0 CA-C-N 116.011 -0.54 . . . . 0.0 109.597 178.604 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 22' ' ' TYR . . . . . 0.574 ' H ' ' HD2' ' A' ' 23' ' ' PRO . 58.6 m-85 -140.71 -44.43 0.02 OUTLIER Pre-proline 0 C--N 1.326 -0.451 0 CA-C-N 115.567 -0.742 . . . . 0.0 111.963 -178.267 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 23' ' ' PRO . . . . . 0.574 ' HD2' ' H ' ' A' ' 22' ' ' TYR . 48.1 Cg_exo -58.06 136.81 77.3 Favored 'Trans proline' 0 C--N 1.359 1.081 0 C-N-CA 121.646 1.564 . . . . 0.0 111.822 174.296 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -89.24 -111.88 1.28 Allowed Glycine 0 N--CA 1.449 -0.485 0 C-N-CA 120.916 -0.659 . . . . 0.0 113.402 -171.794 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 29.9 mm-40 -64.58 -37.1 86.39 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.803 0.335 . . . . 0.0 110.993 -175.38 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 56.6 tp -69.1 -36.13 77.21 Favored 'General case' 0 C--N 1.323 -0.573 0 CA-C-N 116.311 -0.404 . . . . 0.0 110.0 177.414 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 27' ' ' GLY . . . . . 0.493 ' HA3' ' HB2' ' A' ' 23' ' ' PRO . . . -61.71 -57.62 16.83 Favored Glycine 0 N--CA 1.448 -0.557 0 C-N-CA 120.972 -0.632 . . . . 0.0 112.15 179.073 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 17.6 ptpt -60.47 -31.13 70.16 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-O 120.829 0.347 . . . . 0.0 110.905 -178.657 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 78.7 ttt180 -62.28 -39.26 92.38 Favored 'General case' 0 C--N 1.332 -0.193 0 CA-C-N 115.837 -0.62 . . . . 0.0 110.443 178.558 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 30' ' ' ILE . . . . . . . . . . . . . 70.5 mt -79.23 -43.6 24.0 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.565 0 CA-C-N 116.303 -0.408 . . . . 0.0 110.264 179.13 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 31' ' ' TYR . . . . . 0.424 ' HE1' ' CH2' ' A' ' 39' ' ' TRP . 16.7 m-30 -65.54 -28.21 69.0 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.151 -0.477 . . . . 0.0 112.261 -173.628 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 32' ' ' ASN . . . . . . . . . . . . . 4.4 p-10 -93.23 1.36 57.1 Favored 'General case' 0 C--N 1.329 -0.322 0 C-N-CA 120.112 -0.635 . . . . 0.0 111.535 -177.82 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 33' ' ' GLU . . . . . 0.438 ' O ' ' HA ' ' A' ' 7' ' ' CYS . 45.4 mt-10 -124.1 0.96 8.53 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-O 121.436 0.636 . . . . 0.0 110.277 176.074 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 34' ' ' ILE . . . . . 0.439 HG13 ' HB3' ' A' ' 74' ' ' LEU . 9.3 mm -129.97 139.57 51.17 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.507 0 CA-C-N 115.407 -0.815 . . . . 0.0 109.804 176.597 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 9.4 t -100.46 171.08 7.96 Favored 'General case' 0 N--CA 1.442 -0.833 0 CA-C-O 121.558 0.694 . . . . 0.0 111.199 -179.501 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 19.9 ttmm -58.14 -32.58 68.29 Favored 'General case' 0 C--N 1.317 -0.815 0 CA-C-N 114.363 -1.289 . . . . 0.0 112.223 -177.204 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 5.8 p-10 -70.95 -40.21 72.13 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-O 120.844 0.354 . . . . 0.0 110.557 -177.352 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -79.29 -38.4 35.44 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.897 179.803 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 39' ' ' TRP . . . . . 0.424 ' CH2' ' HE1' ' A' ' 31' ' ' TYR . 72.2 t-105 -61.43 -49.07 78.31 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 115.879 -0.6 . . . . 0.0 110.488 179.672 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -66.81 -36.89 83.42 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.525 179.668 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 52.7 tp60 -56.3 -53.66 54.62 Favored 'General case' 0 C--O 1.233 0.204 0 CA-C-N 115.677 -0.692 . . . . 0.0 110.943 178.216 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 42' ' ' TRP . . . . . 0.555 ' HE1' ' HA ' ' A' ' 70' ' ' MET . 40.6 t-105 -79.28 -34.27 42.65 Favored 'General case' 0 N--CA 1.451 -0.401 0 C-N-CA 120.414 -0.514 . . . . 0.0 111.798 -173.294 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 43' ' ' GLN . . . . . . . . . . . . . 30.9 mt-30 -63.86 -39.99 95.5 Favored 'General case' 0 C--N 1.33 -0.278 0 C-N-CA 120.206 -0.598 . . . . 0.0 110.917 177.527 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 44' ' ' HIS . . . . . . . . . . . . . 69.7 t60 -63.04 -47.44 82.99 Favored 'General case' 0 C--N 1.324 -0.536 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.268 179.161 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 57.7 tptt -69.31 -42.63 75.14 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 115.635 -0.711 . . . . 0.0 111.078 -178.226 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 46' ' ' GLN . . . . . 0.531 ' O ' HG13 ' A' ' 50' ' ' ILE . 59.0 tp60 -61.21 -43.72 98.43 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 116.381 -0.372 . . . . 0.0 110.681 -179.505 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 29.7 m -61.32 -39.04 89.03 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.938 0.399 . . . . 0.0 110.437 179.05 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 48' ' ' MET . . . . . . . . . . . . . 52.2 tpp -68.21 -36.96 80.35 Favored 'General case' 0 C--N 1.332 -0.193 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.068 177.643 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 4.1 mp -63.33 -41.05 98.87 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.114 -0.493 . . . . 0.0 110.695 175.757 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 50' ' ' ILE . . . . . 0.531 HG13 ' O ' ' A' ' 46' ' ' GLN . 81.7 mt -62.08 -42.05 93.49 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.436 0 CA-C-O 121.064 0.459 . . . . 0.0 110.333 176.661 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 51' ' ' ASN . . . . . . . . . . . . . 26.1 t-20 -66.58 -35.83 81.16 Favored 'General case' 0 C--N 1.325 -0.488 0 CA-C-N 115.592 -0.731 . . . . 0.0 111.009 178.12 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 3.6 mm-40 -80.29 -46.99 15.24 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-N 115.868 -0.605 . . . . 0.0 112.405 -177.239 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 66.6 mttm -74.04 -22.09 59.69 Favored 'General case' 0 C--N 1.324 -0.536 0 N-CA-C 109.863 -0.421 . . . . 0.0 109.863 179.325 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 49.5 mttm 58.9 41.84 20.61 Favored 'General case' 0 CA--C 1.521 -0.153 0 CA-C-N 115.248 -0.887 . . . . 0.0 110.58 178.0 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 55' ' ' LEU . . . . . 0.517 ' HB2' ' CD2' ' A' ' 62' ' ' HIS . 3.6 pp -88.73 150.76 22.81 Favored 'General case' 0 C--N 1.323 -0.545 0 CA-C-N 114.861 -1.063 . . . . 0.0 110.507 -178.624 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 56' ' ' ASN . . . . . . . . . . . . . 89.8 m-20 -112.61 135.68 53.04 Favored 'General case' 0 C--N 1.324 -0.535 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.201 -179.001 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 57' ' ' MET . . . . . . . . . . . . . 1.2 mpt? -75.82 -1.18 23.98 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 115.836 -0.62 . . . . 0.0 110.088 175.596 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 58' ' ' MET . . . . . . . . . . . . . 81.2 mtp -63.95 -30.29 71.38 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 114.845 -1.07 . . . . 0.0 109.922 175.059 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 59' ' ' ASN . . . . . . . . . . . . . 3.9 m-20 -102.26 131.37 48.87 Favored 'General case' 0 C--O 1.238 0.452 0 CA-C-N 115.491 -0.777 . . . . 0.0 109.829 177.977 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -59.71 -27.33 66.36 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 116.147 -0.478 . . . . 0.0 111.924 -175.71 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 13.2 mm-40 -59.74 -30.66 68.99 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.309 -0.405 . . . . 0.0 111.587 179.945 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 62' ' ' HIS . . . . . 0.517 ' CD2' ' HB2' ' A' ' 55' ' ' LEU . 54.3 m80 -92.24 -15.1 27.95 Favored 'General case' 0 C--N 1.322 -0.628 0 C-N-CA 120.363 -0.535 . . . . 0.0 110.892 -178.408 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 63' ' ' ARG . . . . . . . . . . . . . 5.4 tpm_? -73.34 -49.67 26.11 Favored 'General case' 0 C--N 1.324 -0.512 0 N-CA-C 109.074 -0.713 . . . . 0.0 109.074 172.403 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 16.9 ptpt -64.29 -29.38 70.47 Favored 'General case' 0 C--N 1.332 -0.184 0 CA-C-N 115.823 -0.626 . . . . 0.0 110.198 176.727 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -66.31 -44.88 82.17 Favored 'General case' 0 CA--C 1.532 0.264 0 CA-C-N 116.084 -0.507 . . . . 0.0 110.052 176.339 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 5.2 tt -59.49 -45.27 92.15 Favored 'General case' 0 C--O 1.236 0.343 0 N-CA-C 109.476 -0.564 . . . . 0.0 109.476 178.249 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 67' ' ' GLU . . . . . 0.424 ' O ' HG23 ' A' ' 71' ' ' VAL . 0.5 OUTLIER -54.22 -49.98 68.19 Favored 'General case' 0 C--N 1.332 -0.168 0 CA-C-N 115.747 -0.661 . . . . 0.0 110.37 173.888 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 68' ' ' GLN . . . . . . . . . . . . . 42.9 mt-30 -55.59 -60.64 3.14 Favored 'General case' 0 C--N 1.326 -0.45 0 CA-C-N 116.019 -0.537 . . . . 0.0 112.252 -179.108 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 48.1 mt-10 -59.27 -47.23 86.13 Favored 'General case' 0 C--O 1.235 0.336 0 CA-C-O 120.981 0.42 . . . . 0.0 111.662 -173.798 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 70' ' ' MET . . . . . 0.555 ' HA ' ' HE1' ' A' ' 42' ' ' TRP . 48.2 ttm -65.72 -46.99 76.86 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-N 116.268 -0.424 . . . . 0.0 111.735 -176.104 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 71' ' ' VAL . . . . . 0.424 HG23 ' O ' ' A' ' 67' ' ' GLU . 61.6 t -69.61 -27.27 33.14 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.43 0 C-N-CA 120.918 -0.313 . . . . 0.0 110.781 -177.717 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 72' ' ' SER . . . . . 0.464 ' OG ' ' HD2' ' A' ' 78' ' ' LYS . 24.6 m -65.79 -46.14 79.77 Favored 'General case' 0 N--CA 1.465 0.281 0 CA-C-O 120.82 0.343 . . . . 0.0 111.755 177.866 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 73' ' ' PHE . . . . . . . . . . . . . 46.5 t80 -81.84 -39.3 24.16 Favored 'General case' 0 C--N 1.325 -0.475 0 CA-C-N 116.114 -0.494 . . . . 0.0 111.669 -172.403 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 74' ' ' LEU . . . . . 0.439 ' HB3' HG13 ' A' ' 34' ' ' ILE . 95.4 mt -92.89 -40.9 10.35 Favored 'General case' 0 C--N 1.322 -0.629 0 N-CA-C 112.63 0.604 . . . . 0.0 112.63 -172.65 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 75' ' ' PHE . . . . . . . . . . . . . 30.5 t80 -105.53 -42.97 5.07 Favored 'General case' 0 C--N 1.326 -0.438 0 C-N-CA 120.807 -0.357 . . . . 0.0 111.856 -170.135 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 45.1 mt-10 65.66 15.33 10.0 Favored 'General case' 0 N--CA 1.469 0.478 0 C-N-CA 123.372 0.669 . . . . 0.0 112.129 179.79 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . -97.99 24.61 31.02 Favored Glycine 0 CA--C 1.517 0.16 0 C-N-CA 120.682 -0.77 . . . . 0.0 112.354 -178.827 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 78' ' ' LYS . . . . . 0.464 ' HD2' ' OG ' ' A' ' 72' ' ' SER . 0.0 OUTLIER -125.92 144.35 50.72 Favored 'General case' 0 C--N 1.321 -0.642 0 N-CA-C 110.136 -0.32 . . . . 0.0 110.136 179.46 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 79' ' ' ASP . . . . . . . . . . . . . 11.6 p-10 -107.6 1.7 23.45 Favored 'General case' 0 C--N 1.321 -0.636 0 CA-C-N 116.25 -0.432 . . . . 0.0 111.226 -177.703 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 80' ' ' VAL . . . . . . . . . . . . . 22.0 t -69.34 104.46 0.97 Allowed 'Isoleucine or valine' 0 C--N 1.327 -0.413 0 CA-C-N 116.635 -0.257 . . . . 0.0 110.554 -178.429 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 81' ' ' HIS . . . . . . . . . . . . . 6.6 p80 -63.25 125.08 22.93 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-O 121.001 0.429 . . . . 0.0 111.941 -177.032 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 82' ' ' ILE . . . . . . . . . . . . . 33.1 mt -96.86 132.83 40.37 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.259 0 CA-C-N 115.808 -0.633 . . . . 0.0 109.973 178.122 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 5.2 pt-20 -157.66 33.34 0.27 Allowed 'General case' 0 C--N 1.322 -0.601 0 CA-C-O 121.11 0.481 . . . . 0.0 110.099 179.905 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 84' ' ' GLY . . . . . . . . . . . . . . . 89.63 -96.08 2.17 Favored Glycine 0 N--CA 1.447 -0.568 0 CA-C-N 115.357 -0.838 . . . . 0.0 111.287 -177.545 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 85' ' ' TYR . . . . . . . . . . . . . 69.4 m-85 -121.15 102.7 8.48 Favored 'General case' 0 C--N 1.32 -0.7 0 CA-C-O 121.024 0.44 . . . . 0.0 109.98 176.676 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 86' ' ' THR . . . . . 0.423 ' HA ' ' HD3' ' A' ' 87' ' ' PRO . 10.0 t -112.08 139.84 22.84 Favored Pre-proline 0 C--N 1.319 -0.735 0 CA-C-N 115.908 -0.587 . . . . 0.0 109.572 -178.8 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 87' ' ' PRO . . . . . 0.423 ' HD3' ' HA ' ' A' ' 86' ' ' THR . 34.0 Cg_exo -59.26 110.66 0.73 Allowed 'Trans proline' 0 C--O 1.235 0.342 0 C-N-CA 122.567 2.178 . . . . 0.0 112.419 179.094 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 88' ' ' GLU . . . . . . . . . . . . . 52.6 tt0 -84.08 81.98 8.56 Favored 'General case' 0 C--N 1.322 -0.604 0 N-CA-C 109.3 -0.63 . . . . 0.0 109.3 177.163 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 89' ' ' ASP . . . . . . . . . . . . . 20.7 t70 -99.31 -64.65 1.02 Allowed 'General case' 0 C--N 1.324 -0.507 0 CA-C-N 115.552 -0.749 . . . . 0.0 111.288 -173.395 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 36.0 ttpt -69.26 115.45 8.55 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 116.317 -0.401 . . . . 0.0 110.301 -178.246 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 91' ' ' LYS . . . . . . . . . . . . . 14.8 tppt? . . . . . 0 C--O 1.25 1.085 0 CA-C-O 118.174 -0.917 . . . . 0.0 109.661 179.501 . . . . . . . . 0 0 . 1 . 016 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 56.9 mtt . . . . . 0 N--CA 1.481 1.085 0 N-CA-C 110.132 -0.322 . . . . 0.0 110.132 . . . . . . . . . 0 0 . 1 . 016 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 33.8 m -127.85 111.24 13.39 Favored 'General case' 0 C--N 1.322 -0.614 0 CA-C-N 116.422 -0.354 . . . . 0.0 110.727 179.737 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 3' ' ' ARG . . . . . . . . . . . . . 16.6 ptm180 -81.74 116.06 21.27 Favored 'General case' 0 N--CA 1.448 -0.539 0 N-CA-C 108.12 -1.067 . . . . 0.0 108.12 171.608 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 9.5 m -78.03 109.4 12.06 Favored 'General case' 0 C--N 1.317 -0.82 0 CA-C-N 115.777 -0.647 . . . . 0.0 110.9 -172.655 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 5' ' ' ILE . . . . . . . . . . . . . 2.6 pp -123.8 164.89 21.11 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.754 0 CA-C-N 115.457 -0.792 . . . . 0.0 110.385 -179.494 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 6' ' ' PHE . . . . . . . . . . . . . 86.2 m-85 -99.76 97.31 8.26 Favored 'General case' 0 C--N 1.32 -0.687 0 N-CA-C 109.508 -0.552 . . . . 0.0 109.508 176.28 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 7' ' ' CYS . . . . . 0.667 ' SG ' ' HB2' ' A' ' 10' ' ' LEU . 16.9 p -67.51 142.68 56.49 Favored 'General case' 0 C--N 1.322 -0.592 0 CA-C-N 115.345 -0.843 . . . . 0.0 111.573 -174.489 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 6.8 m -69.75 -27.13 64.68 Favored 'General case' 0 C--N 1.324 -0.54 0 CA-C-N 115.962 -0.563 . . . . 0.0 111.525 -177.872 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 9' ' ' TYR . . . . . . . . . . . . . 72.1 t80 -74.25 -53.22 10.22 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-N 116.517 -0.31 . . . . 0.0 111.264 -177.696 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 10' ' ' LEU . . . . . 0.667 ' HB2' ' SG ' ' A' ' 7' ' ' CYS . 89.9 mt -90.13 -18.58 25.56 Favored 'General case' 0 C--N 1.331 -0.236 0 N-CA-C 111.593 0.22 . . . . 0.0 111.593 -176.608 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 28.4 mm-40 68.52 9.15 7.12 Favored 'General case' 0 N--CA 1.469 0.513 0 C-N-CA 122.837 0.455 . . . . 0.0 111.716 179.322 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 49.2 mtt180 -131.02 -171.34 2.55 Favored 'General case' 0 C--N 1.327 -0.403 0 N-CA-C 110.455 -0.202 . . . . 0.0 110.455 -178.714 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 5.0 p-10 -65.19 136.3 56.48 Favored 'General case' 0 C--O 1.234 0.25 0 CA-C-O 121.243 0.544 . . . . 0.0 111.289 -176.178 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 14' ' ' ALA . . . . . 0.422 ' HB1' ' HB2' ' A' ' 35' ' ' SER . . . -156.98 179.36 9.37 Favored 'General case' 0 C--N 1.319 -0.737 0 CA-C-N 115.336 -0.847 . . . . 0.0 109.315 177.45 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 12.8 pt-20 -104.82 154.68 19.72 Favored 'General case' 0 C--N 1.323 -0.579 0 N-CA-C 110.198 -0.297 . . . . 0.0 110.198 -178.946 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . -61.12 134.99 48.75 Favored Glycine 0 N--CA 1.445 -0.705 0 C-N-CA 120.821 -0.704 . . . . 0.0 111.828 175.035 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 17' ' ' GLN . . . . . . . . . . . . . 16.7 tm0? -59.3 -43.0 92.64 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-O 120.918 0.389 . . . . 0.0 110.191 -178.502 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 3.7 t70 -177.18 -163.6 0.09 Allowed 'General case' 0 C--N 1.328 -0.348 0 N-CA-C 108.982 -0.747 . . . . 0.0 108.982 178.361 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -114.11 -171.95 2.0 Favored 'General case' 0 C--N 1.323 -0.585 0 N-CA-C 109.897 -0.409 . . . . 0.0 109.897 -179.213 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 15.4 mm100 -79.46 93.95 5.48 Favored 'General case' 0 C--N 1.322 -0.615 0 CA-C-O 120.98 0.419 . . . . 0.0 110.797 -179.031 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 21' ' ' LEU . . . . . 0.408 ' H ' HD12 ' A' ' 21' ' ' LEU . 0.9 OUTLIER -85.45 -56.34 3.56 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-N 115.972 -0.558 . . . . 0.0 109.989 178.487 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 22' ' ' TYR . . . . . 0.541 ' H ' ' CD ' ' A' ' 23' ' ' PRO . 98.5 m-85 -133.83 -49.63 0.03 OUTLIER Pre-proline 0 CA--C 1.537 0.453 0 CA-C-N 115.925 -0.58 . . . . 0.0 112.199 -177.155 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 23' ' ' PRO . . . . . 0.541 ' CD ' ' H ' ' A' ' 22' ' ' TYR . 22.9 Cg_exo -65.65 165.1 24.13 Favored 'Trans proline' 0 C--N 1.359 1.101 0 C-N-CA 122.002 1.801 . . . . 0.0 112.356 -178.299 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -112.02 -107.37 2.91 Favored Glycine 0 N--CA 1.448 -0.551 0 C-N-CA 120.77 -0.729 . . . . 0.0 112.898 -177.07 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 25' ' ' GLU . . . . . 0.438 ' HA ' ' HE2' ' A' ' 28' ' ' LYS . 16.7 pt-20 -61.1 -42.92 99.4 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.684 0.278 . . . . 0.0 111.65 -174.773 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 58.1 tp -70.45 -32.95 70.72 Favored 'General case' 0 C--N 1.326 -0.451 0 N-CA-C 109.535 -0.543 . . . . 0.0 109.535 179.376 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 27' ' ' GLY . . . . . 0.429 ' HA3' ' HB2' ' A' ' 23' ' ' PRO . . . -59.83 -58.87 11.96 Favored Glycine 0 N--CA 1.445 -0.754 0 CA-C-N 115.485 -0.78 . . . . 0.0 112.099 179.644 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 28' ' ' LYS . . . . . 0.438 ' HE2' ' HA ' ' A' ' 25' ' ' GLU . 61.5 pttt -60.81 -37.97 83.81 Favored 'General case' 0 C--N 1.326 -0.451 0 CA-C-O 120.391 0.138 . . . . 0.0 110.709 -177.084 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 75.4 ttt180 -56.35 -49.28 74.84 Favored 'General case' 0 C--O 1.226 -0.176 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.341 179.166 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 30' ' ' ILE . . . . . 0.434 ' O ' ' HB ' ' A' ' 34' ' ' ILE . 84.0 mt -73.14 -45.79 52.76 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.589 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.292 -178.339 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 31' ' ' TYR . . . . . . . . . . . . . 21.0 m-85 -63.59 -26.23 68.59 Favored 'General case' 0 C--N 1.325 -0.493 0 N-CA-C 112.734 0.642 . . . . 0.0 112.734 -173.732 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 32' ' ' ASN . . . . . . . . . . . . . 3.2 p-10 -103.73 0.25 30.27 Favored 'General case' 0 N--CA 1.465 0.314 0 C-N-CA 120.231 -0.588 . . . . 0.0 111.978 179.562 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 48.9 mt-10 -120.41 -4.11 9.9 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 121.072 0.463 . . . . 0.0 110.897 178.088 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 34' ' ' ILE . . . . . 0.441 ' HA ' HD13 ' A' ' 34' ' ' ILE . 4.7 mm -129.45 137.5 56.73 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.528 0 CA-C-O 121.187 0.518 . . . . 0.0 110.827 -179.177 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 35' ' ' SER . . . . . 0.422 ' HB2' ' HB1' ' A' ' 14' ' ' ALA . 47.2 t -94.57 169.98 9.8 Favored 'General case' 0 C--N 1.322 -0.607 0 CA-C-N 115.304 -0.862 . . . . 0.0 110.733 -178.418 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 33.6 mmtp -53.55 -44.28 69.11 Favored 'General case' 0 C--N 1.324 -0.519 0 CA-C-N 115.025 -0.989 . . . . 0.0 110.919 178.706 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 37' ' ' ASP . . . . . 0.447 ' O ' ' HG3' ' A' ' 41' ' ' GLN . 3.2 p-10 -68.0 -48.63 65.23 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-N 115.488 -0.778 . . . . 0.0 111.471 -176.607 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -59.65 -41.46 90.6 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-O 120.711 0.291 . . . . 0.0 111.114 -179.903 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 39' ' ' TRP . . . . . . . . . . . . . 57.6 t-105 -66.5 -42.8 86.83 Favored 'General case' 0 C--O 1.233 0.212 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.205 177.762 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -59.47 -46.76 87.87 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 115.823 -0.626 . . . . 0.0 110.738 179.646 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 41' ' ' GLN . . . . . 0.447 ' HG3' ' O ' ' A' ' 37' ' ' ASP . 77.8 mt-30 -57.32 -45.65 84.02 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 115.972 -0.558 . . . . 0.0 110.63 178.483 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 42' ' ' TRP . . . . . . . . . . . . . 8.2 t-105 -62.52 -59.06 5.48 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 115.764 -0.653 . . . . 0.0 111.603 -176.897 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 43' ' ' GLN . . . . . . . . . . . . . 4.4 mt-30 -65.24 -29.97 70.81 Favored 'General case' 0 C--N 1.327 -0.372 0 C-N-CA 120.789 -0.364 . . . . 0.0 111.614 -176.343 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 44' ' ' HIS . . . . . . . . . . . . . 20.4 t-80 -67.16 -47.78 69.97 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-O 120.916 0.388 . . . . 0.0 109.997 178.133 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 17.5 tppt? -61.74 -44.79 96.22 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 115.646 -0.706 . . . . 0.0 110.13 176.111 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 46' ' ' GLN . . . . . . . . . . . . . 33.9 tt0 -57.94 -48.6 79.44 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 115.476 -0.784 . . . . 0.0 111.161 179.362 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 99.9 m -53.18 -44.91 68.28 Favored 'General case' 0 C--O 1.236 0.356 0 CA-C-O 120.866 0.365 . . . . 0.0 111.086 178.437 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 48' ' ' MET . . . . . . . . . . . . . 43.1 tpp -63.25 -50.54 69.77 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.043 -0.526 . . . . 0.0 111.049 -179.785 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 10.2 mp -65.5 -36.91 85.25 Favored 'General case' 0 C--N 1.326 -0.419 0 N-CA-C 112.042 0.386 . . . . 0.0 112.042 -176.933 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 50' ' ' ILE . . . . . . . . . . . . . 1.5 mp -64.91 -35.62 75.75 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.4 0 CA-C-N 116.629 -0.26 . . . . 0.0 111.178 -179.797 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 51' ' ' ASN . . . . . . . . . . . . . 38.9 m-80 -86.3 -23.55 26.25 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-O 120.865 0.364 . . . . 0.0 110.834 179.781 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 38.0 tt0 -76.59 -56.43 4.62 Favored 'General case' 0 C--N 1.325 -0.482 0 CA-C-N 115.882 -0.599 . . . . 0.0 110.843 178.548 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 66.7 mttm -83.18 -7.28 59.64 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 115.766 -0.652 . . . . 0.0 111.005 -175.023 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 44.3 mtmt 60.99 67.38 0.81 Allowed 'General case' 0 N--CA 1.465 0.28 0 CA-C-N 115.825 -0.625 . . . . 0.0 110.682 179.858 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 54.4 mt -103.11 127.53 50.35 Favored 'General case' 0 C--N 1.324 -0.506 0 CA-C-N 115.653 -0.703 . . . . 0.0 109.991 -178.579 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 56' ' ' ASN . . . . . . . . . . . . . 20.2 m120 -108.84 139.71 43.29 Favored 'General case' 0 C--N 1.322 -0.619 0 CA-C-N 116.474 -0.33 . . . . 0.0 110.654 178.111 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 57' ' ' MET . . . . . . . . . . . . . 1.1 mpt? -84.65 10.61 10.73 Favored 'General case' 0 C--N 1.324 -0.527 0 CA-C-N 115.936 -0.575 . . . . 0.0 110.461 179.649 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 58' ' ' MET . . . . . . . . . . . . . 60.9 mtt -71.51 -28.85 64.18 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-N 115.577 -0.738 . . . . 0.0 109.527 175.101 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 59' ' ' ASN . . . . . . . . . . . . . 17.6 m120 -101.38 126.6 48.17 Favored 'General case' 0 C--N 1.326 -0.439 0 CA-C-N 115.569 -0.741 . . . . 0.0 109.963 178.06 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -64.39 -19.26 65.38 Favored 'General case' 0 C--N 1.326 -0.449 0 CA-C-O 120.965 0.412 . . . . 0.0 110.892 179.994 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 38.2 mt-10 -53.53 -54.03 43.06 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 115.728 -0.669 . . . . 0.0 110.609 176.672 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 62' ' ' HIS . . . . . . . . . . . . . 98.0 m-70 -80.19 -17.64 51.83 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.028 -0.533 . . . . 0.0 110.47 -176.971 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 63' ' ' ARG . . . . . 0.429 ' O ' ' HG ' ' A' ' 66' ' ' LEU . 29.8 tpt180 -65.16 -54.72 25.36 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.019 -0.537 . . . . 0.0 110.375 176.935 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 64' ' ' LYS . . . . . 0.436 ' O ' ' HG3' ' A' ' 68' ' ' GLN . 23.6 pttm -73.91 -22.78 59.57 Favored 'General case' 0 C--N 1.329 -0.297 0 C-N-CA 120.268 -0.573 . . . . 0.0 110.32 179.881 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 65' ' ' LEU . . . . . 0.405 HD22 ' HA ' ' A' ' 65' ' ' LEU . 1.5 tm? -61.83 -48.73 79.25 Favored 'General case' 0 C--N 1.331 -0.204 0 N-CA-C 109.611 -0.515 . . . . 0.0 109.611 176.416 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 66' ' ' LEU . . . . . 0.429 ' HG ' ' O ' ' A' ' 63' ' ' ARG . 2.1 pp -73.8 -21.31 60.19 Favored 'General case' 0 C--N 1.33 -0.242 0 C-N-CA 120.919 -0.313 . . . . 0.0 110.468 -179.356 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 35.6 tt0 -65.75 -45.77 81.35 Favored 'General case' 0 C--O 1.234 0.265 0 N-CA-C 109.105 -0.702 . . . . 0.0 109.105 174.115 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 68' ' ' GLN . . . . . 0.445 ' HB3' HG12 ' A' ' 82' ' ' ILE . 49.9 mt-30 -56.34 -48.9 75.82 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 115.377 -0.829 . . . . 0.0 110.2 174.704 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 6.1 mm-40 -59.63 -42.2 92.19 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 115.853 -0.612 . . . . 0.0 111.207 178.922 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 70' ' ' MET . . . . . . . . . . . . . 52.3 ttm -58.75 -50.15 75.0 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 115.858 -0.61 . . . . 0.0 110.653 -178.415 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 71' ' ' VAL . . . . . . . . . . . . . 58.8 t -61.06 -37.96 78.51 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.368 0 CA-C-N 115.952 -0.567 . . . . 0.0 110.372 178.322 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 72' ' ' SER . . . . . 0.469 ' OG ' ' HE3' ' A' ' 78' ' ' LYS . 20.7 m -70.23 -44.5 68.43 Favored 'General case' 0 C--N 1.325 -0.464 0 CA-C-N 116.039 -0.528 . . . . 0.0 111.94 -176.083 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 73' ' ' PHE . . . . . . . . . . . . . 37.4 t80 -75.77 -36.71 59.75 Favored 'General case' 0 C--N 1.322 -0.628 0 CA-C-O 120.824 0.345 . . . . 0.0 111.24 -175.535 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 74' ' ' LEU . . . . . . . . . . . . . 69.2 mt -87.75 -43.31 11.98 Favored 'General case' 0 C--N 1.325 -0.462 0 N-CA-C 112.325 0.491 . . . . 0.0 112.325 -173.686 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 75' ' ' PHE . . . . . . . . . . . . . 87.1 t80 -110.96 -44.03 3.67 Favored 'General case' 0 C--N 1.325 -0.476 0 CA-C-O 120.788 0.328 . . . . 0.0 111.131 -175.893 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 6.6 tp10 53.03 77.6 0.16 Allowed 'General case' 0 C--N 1.325 -0.499 0 CA-C-N 115.212 -0.904 . . . . 0.0 111.15 -174.141 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . -151.08 31.76 0.97 Allowed Glycine 0 N--CA 1.443 -0.886 0 N-CA-C 109.889 -1.284 . . . . 0.0 109.889 175.173 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 78' ' ' LYS . . . . . 0.469 ' HE3' ' OG ' ' A' ' 72' ' ' SER . 2.6 pptp? -103.9 156.76 17.58 Favored 'General case' 0 C--N 1.325 -0.476 0 CA-C-N 114.983 -0.608 . . . . 0.0 111.164 -175.071 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 79' ' ' ASP . . . . . . . . . . . . . 5.7 p-10 -129.75 13.89 5.88 Favored 'General case' 0 C--N 1.323 -0.575 0 CA-C-N 115.876 -0.602 . . . . 0.0 109.582 171.887 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 80' ' ' VAL . . . . . . . . . . . . . 14.1 t -75.55 145.55 10.55 Favored 'Isoleucine or valine' 0 C--O 1.233 0.199 0 CA-C-N 115.547 -0.751 . . . . 0.0 109.462 179.02 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 81' ' ' HIS . . . . . . . . . . . . . 51.6 m-70 -84.62 103.6 13.88 Favored 'General case' 0 C--N 1.325 -0.47 0 CA-C-O 121.107 0.48 . . . . 0.0 111.238 -173.261 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 82' ' ' ILE . . . . . 0.445 HG12 ' HB3' ' A' ' 68' ' ' GLN . 32.8 mt -88.8 86.15 2.58 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.633 0 N-CA-C 109.089 -0.708 . . . . 0.0 109.089 175.766 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 46.4 mm-40 -118.67 0.25 11.45 Favored 'General case' 0 C--N 1.321 -0.637 0 CA-C-N 115.73 -0.668 . . . . 0.0 110.95 -174.424 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 84' ' ' GLY . . . . . . . . . . . . . . . 79.51 -50.61 3.83 Favored Glycine 0 N--CA 1.451 -0.34 0 C-N-CA 120.558 -0.83 . . . . 0.0 111.404 -173.402 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 85' ' ' TYR . . . . . . . . . . . . . 97.4 m-85 -111.42 94.28 4.89 Favored 'General case' 0 C--N 1.326 -0.443 0 N-CA-C 109.84 -0.43 . . . . 0.0 109.84 174.274 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 86' ' ' THR . . . . . . . . . . . . . 10.0 t -131.0 135.98 28.18 Favored Pre-proline 0 C--N 1.321 -0.656 0 CA-C-N 116.35 -0.386 . . . . 0.0 110.042 179.858 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 87' ' ' PRO . . . . . . . . . . . . . 83.8 Cg_endo -87.2 26.34 0.62 Allowed 'Trans proline' 0 N--CA 1.457 -0.619 0 C-N-CA 122.849 2.366 . . . . 0.0 112.432 -179.661 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 88' ' ' GLU . . . . . . . . . . . . . 46.2 mt-10 -82.97 63.59 7.14 Favored 'General case' 0 C--N 1.323 -0.567 0 CA-C-O 121.435 0.636 . . . . 0.0 110.62 179.129 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 89' ' ' ASP . . . . . . . . . . . . . 7.5 m-20 -73.16 -45.99 53.43 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 115.398 -0.819 . . . . 0.0 109.727 177.19 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 47.7 tttm -82.57 147.52 28.57 Favored 'General case' 0 C--N 1.322 -0.601 0 CA-C-N 115.167 -0.924 . . . . 0.0 109.92 178.212 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 91' ' ' LYS . . . . . . . . . . . . . 17.8 ptpt . . . . . 0 C--O 1.251 1.14 0 CA-C-O 118.073 -0.965 . . . . 0.0 110.039 175.838 . . . . . . . . 0 0 . 1 . 017 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 73.1 mtm . . . . . 0 N--CA 1.481 1.117 0 CA-C-O 120.87 0.366 . . . . 0.0 110.519 . . . . . . . . . 0 0 . 1 . 017 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 24.0 m -84.57 -60.84 1.95 Allowed 'General case' 0 C--N 1.325 -0.496 0 CA-C-O 120.95 0.405 . . . . 0.0 110.355 178.468 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 3' ' ' ARG . . . . . 0.479 ' HG2' HG23 ' A' ' 5' ' ' ILE . 63.8 ttt180 -144.21 102.03 3.8 Favored 'General case' 0 C--N 1.325 -0.468 0 CA-C-N 116.328 -0.397 . . . . 0.0 110.621 -178.125 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 15.1 p -72.0 112.23 7.91 Favored 'General case' 0 C--O 1.237 0.415 0 CA-C-O 120.849 0.357 . . . . 0.0 110.46 176.192 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 5' ' ' ILE . . . . . 0.479 HG23 ' HG2' ' A' ' 3' ' ' ARG . 2.3 pp -134.55 170.04 20.38 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.573 0 CA-C-N 116.075 -0.511 . . . . 0.0 111.385 -178.267 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 6' ' ' PHE . . . . . . . . . . . . . 88.2 m-85 -101.8 104.19 14.95 Favored 'General case' 0 C--N 1.32 -0.702 0 N-CA-C 109.283 -0.636 . . . . 0.0 109.283 174.465 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 7' ' ' CYS . . . . . 0.429 ' O ' ' HA ' ' A' ' 11' ' ' GLN . 41.9 t -60.18 145.84 45.57 Favored 'General case' 0 C--N 1.324 -0.52 0 CA-C-N 115.742 -0.663 . . . . 0.0 111.168 -176.366 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 1.0 OUTLIER -72.75 -40.2 66.23 Favored 'General case' 0 C--N 1.324 -0.513 0 CA-C-O 120.881 0.372 . . . . 0.0 111.948 179.024 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 9' ' ' TYR . . . . . . . . . . . . . 89.8 t80 -85.24 -44.08 13.2 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.365 -0.38 . . . . 0.0 111.105 -178.302 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 10' ' ' LEU . . . . . 0.428 ' HB2' ' HB3' ' A' ' 7' ' ' CYS . 52.0 mt -80.19 -35.86 35.79 Favored 'General case' 0 C--N 1.329 -0.322 0 C-N-CA 120.853 -0.339 . . . . 0.0 110.436 -178.947 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 11' ' ' GLN . . . . . 0.429 ' HA ' ' O ' ' A' ' 7' ' ' CYS . 74.5 mt-30 52.8 44.66 30.01 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-O 122.09 0.948 . . . . 0.0 111.576 -177.797 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 14.5 ptt180 -133.12 174.61 10.19 Favored 'General case' 0 C--N 1.321 -0.645 0 CA-C-N 114.155 -1.384 . . . . 0.0 108.171 174.623 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 18.7 t70 -69.11 109.88 4.24 Favored 'General case' 0 C--N 1.322 -0.601 0 N-CA-C 108.553 -0.906 . . . . 0.0 108.553 172.214 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -129.34 179.51 5.74 Favored 'General case' 0 C--N 1.318 -0.794 0 CA-C-O 121.266 0.555 . . . . 0.0 111.679 -173.21 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 6.8 tp10 -101.73 131.94 47.72 Favored 'General case' 0 N--CA 1.445 -0.716 0 CA-C-N 115.19 -0.913 . . . . 0.0 110.014 -179.699 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . -58.92 123.57 33.93 Favored Glycine 0 N--CA 1.444 -0.793 0 N-CA-C 110.36 -1.096 . . . . 0.0 110.36 171.9 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 17' ' ' GLN . . . . . 0.473 ' O ' ' HE3' ' A' ' 36' ' ' LYS . 1.3 tt0 -48.41 -60.59 2.55 Favored 'General case' 0 C--N 1.331 -0.196 0 CA-C-O 120.676 0.274 . . . . 0.0 111.289 -173.231 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 2.0 t70 -170.29 -163.38 0.34 Allowed 'General case' 0 C--N 1.325 -0.499 0 N-CA-C 108.967 -0.753 . . . . 0.0 108.967 178.23 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 94.7 m-85 -118.13 -163.27 0.93 Allowed 'General case' 0 C--N 1.321 -0.646 0 CA-C-O 120.717 0.294 . . . . 0.0 110.895 -178.111 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 15.7 mm100 -76.77 92.61 3.59 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-O 121.085 0.469 . . . . 0.0 110.979 -178.3 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -107.05 -32.28 7.92 Favored 'General case' 0 C--N 1.321 -0.663 0 CA-C-N 115.639 -0.71 . . . . 0.0 112.081 178.97 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 22' ' ' TYR . . . . . 0.468 ' H ' ' CD ' ' A' ' 23' ' ' PRO . 64.4 m-85 -146.52 -48.85 0.02 OUTLIER Pre-proline 0 CA--C 1.538 0.509 0 N-CA-C 113.175 0.806 . . . . 0.0 113.175 -176.295 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 23' ' ' PRO . . . . . 0.468 ' CD ' ' H ' ' A' ' 22' ' ' TYR . 11.1 Cg_exo -72.52 173.95 12.43 Favored 'Trans proline' 0 C--N 1.354 0.841 0 C-N-CA 121.711 1.607 . . . . 0.0 113.099 -178.137 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -89.87 -147.82 17.93 Favored Glycine 0 N--CA 1.45 -0.416 0 CA-C-N 115.739 -0.664 . . . . 0.0 111.765 179.704 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 39.0 tt0 -54.61 -42.28 70.99 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-O 120.609 0.242 . . . . 0.0 111.408 -178.52 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 26' ' ' LEU . . . . . 0.47 HD23 ' HD3' ' A' ' 29' ' ' ARG . 87.1 mt -60.25 -24.32 64.79 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.343 -0.39 . . . . 0.0 111.101 -179.614 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 27' ' ' GLY . . . . . 0.405 ' HA3' ' HB2' ' A' ' 23' ' ' PRO . . . -59.49 -60.38 8.88 Favored Glycine 0 N--CA 1.443 -0.876 0 C-N-CA 120.918 -0.658 . . . . 0.0 111.663 176.98 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 22.6 pttp -74.22 -24.72 59.37 Favored 'General case' 0 C--N 1.326 -0.424 0 O-C-N 122.7 -0.294 . . . . 0.0 110.757 -177.01 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 29' ' ' ARG . . . . . 0.47 ' HD3' HD23 ' A' ' 26' ' ' LEU . 75.0 ttt180 -66.77 -23.24 66.05 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-O 121.157 0.503 . . . . 0.0 110.279 176.908 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 30' ' ' ILE . . . . . . . . . . . . . 95.7 mt -96.92 -47.57 12.68 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.557 0 CA-C-N 116.244 -0.435 . . . . 0.0 111.291 174.175 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 31' ' ' TYR . . . . . . . . . . . . . 12.5 m-30 -65.23 -14.24 60.19 Favored 'General case' 0 N--CA 1.47 0.555 0 N-CA-C 112.541 0.571 . . . . 0.0 112.541 -173.394 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 32' ' ' ASN . . . . . . . . . . . . . 36.1 p-10 -82.9 -21.03 34.34 Favored 'General case' 0 C--N 1.323 -0.58 0 O-C-N 122.351 -0.218 . . . . 0.0 111.24 -178.494 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 33' ' ' GLU . . . . . 0.424 ' O ' ' HA ' ' A' ' 7' ' ' CYS . 46.1 mt-10 -131.82 16.35 4.76 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 120.923 0.392 . . . . 0.0 111.331 -179.314 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 34' ' ' ILE . . . . . 0.439 HD13 ' HA ' ' A' ' 34' ' ' ILE . 9.2 mm -126.29 131.26 71.7 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 CA-C-O 121.175 0.512 . . . . 0.0 110.513 175.92 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 33.9 t -90.38 163.13 14.81 Favored 'General case' 0 C--N 1.323 -0.57 0 CA-C-N 115.549 -0.751 . . . . 0.0 110.142 177.953 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 36' ' ' LYS . . . . . 0.473 ' HE3' ' O ' ' A' ' 17' ' ' GLN . 34.2 mmtp -51.07 -36.19 38.79 Favored 'General case' 0 C--N 1.326 -0.449 0 CA-C-N 115.546 -0.752 . . . . 0.0 110.657 174.946 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 37' ' ' ASP . . . . . 0.625 ' O ' ' HG3' ' A' ' 41' ' ' GLN . 9.4 m-20 -56.46 -62.92 1.39 Allowed 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 115.411 -0.813 . . . . 0.0 110.778 -179.596 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -62.1 -35.89 80.07 Favored 'General case' 0 C--N 1.331 -0.2 0 CA-C-N 115.696 -0.683 . . . . 0.0 111.385 -177.047 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 39' ' ' TRP . . . . . . . . . . . . . 73.8 t-105 -62.63 -43.56 98.49 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.506 177.822 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -67.3 -41.67 84.98 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.064 -0.516 . . . . 0.0 110.788 179.44 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 41' ' ' GLN . . . . . 0.625 ' HG3' ' O ' ' A' ' 37' ' ' ASP . 89.1 mt-30 -57.46 -44.95 85.21 Favored 'General case' 0 C--O 1.235 0.297 0 CA-C-N 115.947 -0.57 . . . . 0.0 110.181 177.671 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 42' ' ' TRP . . . . . 0.464 ' CZ3' ' HE2' ' A' ' 45' ' ' LYS . 22.7 t-105 -68.82 -49.21 60.36 Favored 'General case' 0 N--CA 1.444 -0.735 0 CA-C-N 115.533 -0.758 . . . . 0.0 111.47 -175.815 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 43' ' ' GLN . . . . . . . . . . . . . 58.8 mt-30 -60.54 -35.64 76.5 Favored 'General case' 0 C--N 1.328 -0.327 0 C-N-CA 120.986 -0.286 . . . . 0.0 110.556 179.943 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 44' ' ' HIS . . . . . . . . . . . . . 65.8 t60 -60.94 -50.87 71.67 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-O 120.796 0.331 . . . . 0.0 110.438 177.577 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 45' ' ' LYS . . . . . 0.5 ' HZ2' HD12 ' A' ' 49' ' ' LEU . 0.3 OUTLIER -63.44 -49.42 73.76 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.273 -0.421 . . . . 0.0 110.374 -179.153 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 46' ' ' GLN . . . . . 0.44 ' O ' HG13 ' A' ' 50' ' ' ILE . 42.3 tp60 -64.26 -47.9 77.79 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.392 -0.367 . . . . 0.0 111.382 -173.695 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 62.6 m -59.76 -33.24 71.42 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.715 -179.597 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 48' ' ' MET . . . . . . . . . . . . . 53.7 tpp -59.69 -50.45 73.8 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.28 -0.418 . . . . 0.0 110.632 176.656 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 49' ' ' LEU . . . . . 0.5 HD12 ' HZ2' ' A' ' 45' ' ' LYS . 45.8 mt -65.21 -37.74 88.24 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-O 120.885 0.374 . . . . 0.0 110.413 -177.954 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 50' ' ' ILE . . . . . 0.44 HG13 ' O ' ' A' ' 46' ' ' GLN . 73.2 mt -59.29 -38.16 73.12 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.359 0 CA-C-N 115.8 -0.637 . . . . 0.0 110.934 178.158 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 51' ' ' ASN . . . . . . . . . . . . . 38.4 m-80 -81.23 -34.77 31.96 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-N 116.502 -0.317 . . . . 0.0 111.371 -179.825 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 34.1 mt-10 -66.06 -44.34 84.82 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.731 0.3 . . . . 0.0 111.242 178.486 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 67.0 mttm -86.68 -18.51 31.09 Favored 'General case' 0 C--N 1.326 -0.454 0 CA-C-N 116.378 -0.374 . . . . 0.0 110.961 -179.072 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 97.1 mttt 55.65 63.74 1.97 Allowed 'General case' 0 C--O 1.234 0.274 0 CA-C-N 115.679 -0.692 . . . . 0.0 110.339 -177.672 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 55' ' ' LEU . . . . . 0.54 ' O ' HD12 ' A' ' 55' ' ' LEU . 3.0 pp -112.95 135.25 53.92 Favored 'General case' 0 C--N 1.323 -0.552 0 CA-C-N 115.603 -0.726 . . . . 0.0 111.493 -176.081 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 56' ' ' ASN . . . . . . . . . . . . . 33.3 t-20 -95.88 127.6 42.03 Favored 'General case' 0 C--N 1.323 -0.566 0 CA-C-N 115.336 -0.847 . . . . 0.0 108.847 176.897 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 57' ' ' MET . . . . . . . . . . . . . 22.0 mmt -75.9 40.43 0.2 Allowed 'General case' 0 N--CA 1.466 0.36 0 N-CA-C 112.566 0.58 . . . . 0.0 112.566 -177.294 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 58' ' ' MET . . . . . 0.421 ' HG3' ' OD1' ' A' ' 59' ' ' ASN . 16.9 ptp -98.81 -6.38 29.34 Favored 'General case' 0 C--N 1.323 -0.55 0 N-CA-C 109.334 -0.617 . . . . 0.0 109.334 174.347 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 59' ' ' ASN . . . . . 0.421 ' OD1' ' HG3' ' A' ' 58' ' ' MET . 6.1 m-20 -110.9 133.84 53.04 Favored 'General case' 0 C--N 1.324 -0.505 0 CA-C-N 115.012 -0.994 . . . . 0.0 110.302 -177.86 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -62.02 -32.39 72.87 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 115.588 -0.733 . . . . 0.0 112.808 -171.662 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 26.0 mm-40 -58.39 -44.58 88.99 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-O 120.633 0.254 . . . . 0.0 111.365 -177.881 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 62' ' ' HIS . . . . . . . . . . . . . 93.5 m-70 -74.72 -32.36 62.12 Favored 'General case' 0 C--N 1.325 -0.482 0 CA-C-O 120.908 0.385 . . . . 0.0 109.998 -178.364 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 63' ' ' ARG . . . . . . . . . . . . . 29.9 ttm180 -59.93 -52.59 64.76 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 115.517 -0.765 . . . . 0.0 111.108 -178.821 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 15.7 pttm -71.55 -30.19 65.59 Favored 'General case' 0 C--N 1.329 -0.314 0 C-N-CA 120.783 -0.367 . . . . 0.0 110.627 -178.689 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 7.1 tt -62.31 -45.92 91.06 Favored 'General case' 0 C--N 1.333 -0.146 0 N-CA-C 109.551 -0.537 . . . . 0.0 109.551 179.373 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 9.8 tt -61.87 -43.63 98.47 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.061 -0.518 . . . . 0.0 110.204 177.353 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 33.1 tt0 -64.52 -40.36 95.48 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-O 120.686 0.279 . . . . 0.0 110.677 -177.353 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 68' ' ' GLN . . . . . . . . . . . . . 95.8 mt-30 -56.42 -49.58 74.14 Favored 'General case' 0 C--O 1.235 0.305 0 CA-C-N 116.357 -0.383 . . . . 0.0 110.453 176.35 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 69' ' ' GLU . . . . . 0.459 ' HB3' ' CH2' ' A' ' 42' ' ' TRP . 46.6 mt-10 -63.13 -44.24 96.12 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 121.332 0.587 . . . . 0.0 110.636 178.644 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 70' ' ' MET . . . . . . . . . . . . . 22.3 ttt -58.4 -48.44 80.66 Favored 'General case' 0 C--N 1.325 -0.457 0 CA-C-N 115.419 -0.81 . . . . 0.0 111.334 -174.667 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 71' ' ' VAL . . . . . 0.46 ' O ' ' HB3' ' A' ' 75' ' ' PHE . 65.9 t -68.01 -38.06 79.28 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.377 0 CA-C-N 116.077 -0.51 . . . . 0.0 111.306 -178.988 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 13.6 p -75.62 -18.7 59.61 Favored 'General case' 0 C--N 1.324 -0.536 0 CA-C-O 120.82 0.343 . . . . 0.0 111.768 -175.65 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 73' ' ' PHE . . . . . . . . . . . . . 61.7 t80 -99.5 -56.21 2.46 Favored 'General case' 0 C--N 1.325 -0.481 0 CA-C-O 120.748 0.309 . . . . 0.0 111.377 -179.834 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 74' ' ' LEU . . . . . . . . . . . . . 92.9 mt -72.19 -34.85 68.73 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.447 -0.342 . . . . 0.0 111.454 -174.63 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 75' ' ' PHE . . . . . 0.46 ' HB3' ' O ' ' A' ' 71' ' ' VAL . 74.2 t80 -98.12 -43.5 7.0 Favored 'General case' 0 C--N 1.326 -0.426 0 C-N-CA 120.97 -0.292 . . . . 0.0 110.722 -179.478 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 23.4 mt-10 61.89 97.51 0.03 OUTLIER 'General case' 0 N--CA 1.463 0.223 0 O-C-N 123.909 0.755 . . . . 0.0 111.103 -176.126 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . 140.51 52.01 0.05 OUTLIER Glycine 0 N--CA 1.447 -0.613 0 C-N-CA 120.23 -0.986 . . . . 0.0 112.864 178.496 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 78' ' ' LYS . . . . . 0.576 ' HD3' ' H ' ' A' ' 80' ' ' VAL . 0.0 OUTLIER -119.97 164.65 15.77 Favored 'General case' 0 C--N 1.326 -0.455 0 N-CA-C 109.876 -0.416 . . . . 0.0 109.876 174.462 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 79' ' ' ASP . . . . . . . . . . . . . 7.4 p-10 -98.21 6.49 47.4 Favored 'General case' 0 C--N 1.326 -0.415 0 N-CA-C 112.627 0.603 . . . . 0.0 112.627 -171.827 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 80' ' ' VAL . . . . . 0.576 ' H ' ' HD3' ' A' ' 78' ' ' LYS . 61.3 t -101.38 122.0 52.96 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.664 0 C-N-CA 120.962 -0.295 . . . . 0.0 111.097 -177.649 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 81' ' ' HIS . . . . . . . . . . . . . 46.7 t60 -71.29 132.42 44.88 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 115.781 -0.645 . . . . 0.0 109.942 177.045 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 82' ' ' ILE . . . . . . . . . . . . . 46.6 mm -80.12 123.09 36.47 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.623 0 CA-C-N 116.281 -0.418 . . . . 0.0 110.692 -176.758 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 39.8 mt-10 64.19 84.0 0.16 Allowed 'General case' 0 C--N 1.331 -0.2 0 CA-C-N 115.369 -0.832 . . . . 0.0 111.612 -177.378 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 84' ' ' GLY . . . . . . . . . . . . . . . -82.78 114.31 3.82 Favored Glycine 0 N--CA 1.445 -0.717 0 N-CA-C 110.714 -0.955 . . . . 0.0 110.714 173.003 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 85' ' ' TYR . . . . . 0.507 ' O ' ' HD3' ' A' ' 87' ' ' PRO . 66.0 m-85 -79.88 84.52 5.64 Favored 'General case' 0 C--N 1.323 -0.584 0 CA-C-O 120.984 0.421 . . . . 0.0 110.868 -175.298 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 86' ' ' THR . . . . . 0.64 ' HB ' ' O ' ' A' ' 89' ' ' ASP . 20.7 p -103.82 95.8 8.18 Favored Pre-proline 0 C--N 1.323 -0.561 0 CA-C-N 115.874 -0.603 . . . . 0.0 110.497 176.489 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 87' ' ' PRO . . . . . 0.507 ' HD3' ' O ' ' A' ' 85' ' ' TYR . 3.1 Cg_endo -84.17 -73.96 0.01 OUTLIER 'Trans proline' 0 N--CA 1.457 -0.671 0 C-N-CA 122.852 2.368 . . . . 0.0 112.317 -177.847 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 88' ' ' GLU . . . . . . . . . . . . . 22.2 mm-40 -80.97 -28.16 35.72 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-O 121.07 0.462 . . . . 0.0 110.323 -178.686 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 89' ' ' ASP . . . . . 0.64 ' O ' ' HB ' ' A' ' 86' ' ' THR . 17.0 t70 -82.46 109.37 16.63 Favored 'General case' 0 C--N 1.32 -0.684 0 N-CA-C 109.213 -0.662 . . . . 0.0 109.213 175.221 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 61.0 tttp -91.69 124.02 35.52 Favored 'General case' 0 C--N 1.32 -0.715 0 N-CA-C 109.579 -0.526 . . . . 0.0 109.579 178.906 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 91' ' ' LYS . . . . . 0.423 ' NZ ' ' HB2' ' A' ' 91' ' ' LYS . 0.1 OUTLIER . . . . . 0 C--O 1.249 1.05 0 CA-C-O 118.513 -0.756 . . . . 0.0 109.793 -177.39 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 25.4 ptt? . . . . . 0 N--CA 1.485 1.3 0 N-CA-C 110.256 -0.276 . . . . 0.0 110.256 . . . . . . . . . 0 0 . 1 . 018 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 25.2 t 65.3 95.79 0.05 Allowed 'General case' 0 N--CA 1.465 0.305 0 CA-C-O 121.219 0.533 . . . . 0.0 111.461 175.045 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 3' ' ' ARG . . . . . . . . . . . . . 6.3 ptm180 -131.23 98.7 4.63 Favored 'General case' 0 C--N 1.321 -0.639 0 CA-C-O 121.316 0.579 . . . . 0.0 111.139 -179.45 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 19.6 m -95.18 121.3 36.68 Favored 'General case' 0 C--N 1.322 -0.615 0 N-CA-C 109.198 -0.667 . . . . 0.0 109.198 174.46 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 5' ' ' ILE . . . . . . . . . . . . . 2.7 pp -121.14 169.65 12.18 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.637 0 CA-C-O 121.105 0.478 . . . . 0.0 111.596 -173.062 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 6' ' ' PHE . . . . . . . . . . . . . 73.2 t80 -93.12 102.26 14.57 Favored 'General case' 0 N--CA 1.446 -0.644 0 N-CA-C 108.74 -0.837 . . . . 0.0 108.74 175.371 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 7' ' ' CYS . . . . . 0.43 ' HA ' ' O ' ' A' ' 33' ' ' GLU . 50.8 t -70.54 131.36 43.87 Favored 'General case' 0 C--N 1.325 -0.472 0 CA-C-N 116.284 -0.417 . . . . 0.0 110.517 -176.321 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 9.3 p -63.36 -46.99 83.97 Favored 'General case' 0 C--N 1.321 -0.64 0 CA-C-N 115.878 -0.601 . . . . 0.0 111.624 -177.822 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 9' ' ' TYR . . . . . . . . . . . . . 87.6 t80 -69.63 -39.57 77.06 Favored 'General case' 0 C--N 1.326 -0.44 0 CA-C-N 116.341 -0.39 . . . . 0.0 111.55 -178.232 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 10' ' ' LEU . . . . . 0.416 ' HB2' ' HB3' ' A' ' 7' ' ' CYS . 99.0 mt -82.45 -27.97 31.57 Favored 'General case' 0 C--N 1.328 -0.338 0 C-N-CA 121.02 -0.272 . . . . 0.0 111.714 -175.808 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 31.9 mm-40 60.88 32.24 20.03 Favored 'General case' 0 N--CA 1.464 0.244 0 CA-C-O 121.234 0.54 . . . . 0.0 110.414 -177.239 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 60.5 mtm180 -151.38 174.64 13.1 Favored 'General case' 0 C--N 1.326 -0.443 0 CA-C-N 115.557 -0.747 . . . . 0.0 110.408 -175.678 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 8.6 m-20 -63.36 130.05 42.85 Favored 'General case' 0 CA--C 1.514 -0.421 0 O-C-N 123.476 0.485 . . . . 0.0 109.962 177.757 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 14' ' ' ALA . . . . . 0.569 ' HB1' ' HB2' ' A' ' 35' ' ' SER . . . -144.44 169.25 18.29 Favored 'General case' 0 C--N 1.315 -0.892 0 CA-C-O 120.858 0.361 . . . . 0.0 111.173 -178.643 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 35.9 tt0 -93.87 121.75 35.65 Favored 'General case' 0 C--N 1.321 -0.637 0 CA-C-N 116.127 -0.488 . . . . 0.0 109.934 -178.151 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . -61.59 143.87 48.73 Favored Glycine 0 N--CA 1.443 -0.838 0 N-CA-C 111.403 -0.679 . . . . 0.0 111.403 178.279 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 17' ' ' GLN . . . . . . . . . . . . . 18.0 mt-30 -76.09 -161.38 0.17 Allowed 'General case' 0 C--N 1.322 -0.594 0 CA-C-O 121.205 0.526 . . . . 0.0 111.423 -176.323 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 18' ' ' ASP . . . . . 0.476 ' HB2' HD11 ' A' ' 21' ' ' LEU . 14.1 m-20 -73.78 -168.62 0.61 Allowed 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 115.805 -0.634 . . . . 0.0 111.251 -179.103 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 29.0 t80 -100.37 -92.16 0.29 Allowed 'General case' 0 C--N 1.325 -0.461 0 CA-C-N 116.396 -0.366 . . . . 0.0 111.191 -173.209 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 20' ' ' GLN . . . . . 0.489 ' NE2' ' HD3' ' A' ' 28' ' ' LYS . 19.2 mm-40 -134.06 108.55 8.41 Favored 'General case' 0 C--N 1.324 -0.527 0 N-CA-C 108.92 -0.77 . . . . 0.0 108.92 179.7 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 21' ' ' LEU . . . . . 0.476 HD11 ' HB2' ' A' ' 18' ' ' ASP . 3.2 mp -104.02 -73.32 0.67 Allowed 'General case' 0 C--N 1.32 -0.712 0 CA-C-O 121.081 0.467 . . . . 0.0 110.185 -174.473 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 22' ' ' TYR . . . . . 0.569 ' H ' ' CD ' ' A' ' 23' ' ' PRO . 41.7 p90 -118.54 -31.58 0.07 OUTLIER Pre-proline 0 CA--C 1.544 0.746 0 CA-C-N 115.711 -0.677 . . . . 0.0 112.472 176.571 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 23' ' ' PRO . . . . . 0.569 ' CD ' ' H ' ' A' ' 22' ' ' TYR . 86.6 Cg_endo -88.86 176.14 3.4 Favored 'Trans proline' 0 C--N 1.362 1.262 0 CA-C-N 120.791 1.318 . . . . 0.0 111.885 174.895 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -112.42 -121.39 3.91 Favored Glycine 0 N--CA 1.444 -0.783 0 C-N-CA 120.707 -0.758 . . . . 0.0 112.285 -178.414 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 26.9 mm-40 -63.46 -44.12 95.37 Favored 'General case' 0 C--N 1.326 -0.414 0 N-CA-C 112.046 0.388 . . . . 0.0 112.046 -175.738 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 63.6 tp -64.56 -39.2 93.32 Favored 'General case' 0 C--N 1.325 -0.476 0 CA-C-O 121.163 0.506 . . . . 0.0 109.889 -178.819 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . -64.81 -48.29 73.65 Favored Glycine 0 N--CA 1.448 -0.541 0 C-N-CA 120.598 -0.81 . . . . 0.0 111.758 177.545 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 28' ' ' LYS . . . . . 0.489 ' HD3' ' NE2' ' A' ' 20' ' ' GLN . 6.5 ttpm? -61.59 -34.53 75.79 Favored 'General case' 0 C--O 1.234 0.272 0 CA-C-O 120.947 0.404 . . . . 0.0 110.408 179.493 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 29' ' ' ARG . . . . . 0.478 ' O ' ' HG2' ' A' ' 33' ' ' GLU . 72.3 ttt180 -61.14 -37.22 82.07 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 115.782 -0.644 . . . . 0.0 110.647 178.502 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 30' ' ' ILE . . . . . . . . . . . . . 62.2 mt -77.77 -39.83 26.8 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.659 0 C-N-CA 120.802 -0.359 . . . . 0.0 110.469 177.051 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 31' ' ' TYR . . . . . . . . . . . . . 19.4 m-85 -62.69 -23.11 66.97 Favored 'General case' 0 C--N 1.329 -0.284 0 N-CA-C 112.878 0.696 . . . . 0.0 112.878 -175.298 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 32' ' ' ASN . . . . . . . . . . . . . 11.5 p-10 -103.55 0.06 30.41 Favored 'General case' 0 C--N 1.327 -0.404 0 C-N-CA 119.855 -0.738 . . . . 0.0 112.092 -178.581 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 33' ' ' GLU . . . . . 0.478 ' HG2' ' O ' ' A' ' 29' ' ' ARG . 48.0 mm-40 -105.95 -32.61 8.24 Favored 'General case' 0 C--O 1.235 0.306 0 CA-C-O 121.452 0.644 . . . . 0.0 109.965 175.879 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 34' ' ' ILE . . . . . 0.448 HG23 ' HB3' ' A' ' 38' ' ' ALA . 9.7 mm -105.37 142.01 19.45 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.645 0 CA-C-N 115.445 -0.798 . . . . 0.0 111.044 -177.251 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 35' ' ' SER . . . . . 0.569 ' HB2' ' HB1' ' A' ' 14' ' ' ALA . 9.0 t -82.06 153.13 26.28 Favored 'General case' 0 C--N 1.322 -0.614 0 CA-C-N 115.402 -0.817 . . . . 0.0 110.087 177.291 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 99.1 mttt -53.3 -29.93 36.13 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.056 -0.52 . . . . 0.0 110.274 174.787 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 37' ' ' ASP . . . . . 0.636 ' O ' ' HG3' ' A' ' 41' ' ' GLN . 11.1 m-20 -60.96 -60.83 3.17 Favored 'General case' 0 C--N 1.332 -0.188 0 CA-C-N 115.629 -0.714 . . . . 0.0 110.35 177.86 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 38' ' ' ALA . . . . . 0.448 ' HB3' HG23 ' A' ' 34' ' ' ILE . . . -63.31 -36.52 83.97 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 115.741 -0.663 . . . . 0.0 111.154 -177.278 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 39' ' ' TRP . . . . . . . . . . . . . 65.2 t-105 -59.92 -48.55 81.24 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-O 120.902 0.382 . . . . 0.0 110.102 176.683 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -60.54 -48.59 81.11 Favored 'General case' 0 N--CA 1.453 -0.321 0 CA-C-N 115.848 -0.615 . . . . 0.0 110.745 178.578 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 41' ' ' GLN . . . . . 0.636 ' HG3' ' O ' ' A' ' 37' ' ' ASP . 81.8 mt-30 -55.19 -49.09 72.78 Favored 'General case' 0 C--O 1.233 0.206 0 O-C-N 123.349 0.406 . . . . 0.0 110.791 179.845 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 42' ' ' TRP . . . . . . . . . . . . . 51.1 t-105 -66.8 -54.44 22.54 Favored 'General case' 0 N--CA 1.45 -0.432 0 CA-C-N 115.781 -0.645 . . . . 0.0 111.224 -175.272 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 43' ' ' GLN . . . . . 0.525 ' HA ' ' OE1' ' A' ' 43' ' ' GLN . 11.9 mm-40 -68.68 -28.72 67.11 Favored 'General case' 0 C--N 1.325 -0.458 0 N-CA-C 112.018 0.377 . . . . 0.0 112.018 -174.119 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 44' ' ' HIS . . . . . . . . . . . . . 0.3 OUTLIER -62.91 -45.71 91.24 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-O 121.132 0.492 . . . . 0.0 109.852 174.387 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 3.7 tmtp? -70.9 -46.43 62.55 Favored 'General case' 0 C--N 1.325 -0.466 0 CA-C-N 115.411 -0.813 . . . . 0.0 110.403 -178.722 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 46' ' ' GLN . . . . . 0.503 ' O ' HG13 ' A' ' 50' ' ' ILE . 52.5 tp60 -61.16 -51.13 70.36 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 115.899 -0.591 . . . . 0.0 111.216 -177.067 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 30.4 m -59.8 -36.79 77.46 Favored 'General case' 0 C--O 1.236 0.355 0 CA-C-O 120.966 0.412 . . . . 0.0 110.628 179.466 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 48' ' ' MET . . . . . . . . . . . . . 24.2 ttt -59.4 -47.74 84.31 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 115.899 -0.591 . . . . 0.0 110.488 175.915 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 49' ' ' LEU . . . . . 0.466 ' HB3' ' HE2' ' A' ' 53' ' ' LYS . 36.5 mt -66.31 -35.98 81.78 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 115.996 -0.547 . . . . 0.0 111.801 -178.455 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 50' ' ' ILE . . . . . 0.503 HG13 ' O ' ' A' ' 46' ' ' GLN . 77.8 mt -61.92 -39.04 82.16 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.42 0 CA-C-O 120.825 0.345 . . . . 0.0 110.609 178.469 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 51' ' ' ASN . . . . . . . . . . . . . 33.9 m-80 -79.06 -35.86 41.85 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.672 -179.839 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 35.9 tt0 -61.75 -55.14 33.4 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-N 115.839 -0.619 . . . . 0.0 110.961 177.853 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 53' ' ' LYS . . . . . 0.466 ' HE2' ' HB3' ' A' ' 49' ' ' LEU . 51.0 mtmt -90.25 -1.53 57.94 Favored 'General case' 0 C--N 1.325 -0.462 0 CA-C-N 115.751 -0.659 . . . . 0.0 111.976 -173.432 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 47.7 mmtm 56.43 46.07 21.47 Favored 'General case' 0 C--O 1.235 0.329 0 O-C-N 123.413 0.445 . . . . 0.0 110.977 178.018 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 81.3 mt -66.58 117.08 8.25 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-N 115.774 -0.648 . . . . 0.0 110.704 -178.063 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 56' ' ' ASN . . . . . 0.541 ' O ' ' HB2' ' A' ' 62' ' ' HIS . 8.4 p30 -87.58 140.29 29.67 Favored 'General case' 0 C--N 1.326 -0.416 0 N-CA-C 109.981 -0.377 . . . . 0.0 109.981 177.864 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 57' ' ' MET . . . . . . . . . . . . . 24.8 mmt -98.76 14.46 28.67 Favored 'General case' 0 C--N 1.322 -0.623 0 CA-C-O 121.28 0.562 . . . . 0.0 109.967 -179.688 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 58' ' ' MET . . . . . . . . . . . . . 54.4 mtt -78.82 -39.96 34.21 Favored 'General case' 0 C--N 1.323 -0.551 0 CA-C-N 115.283 -0.872 . . . . 0.0 109.339 179.362 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 59' ' ' ASN . . . . . . . . . . . . . 6.1 m-20 -86.62 141.02 29.28 Favored 'General case' 0 C--N 1.323 -0.586 0 CA-C-N 115.37 -0.832 . . . . 0.0 110.072 173.629 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 60' ' ' ALA . . . . . 0.411 ' O ' ' HG2' ' A' ' 64' ' ' LYS . . . -60.33 -25.13 65.56 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.053 -0.521 . . . . 0.0 110.813 178.755 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 40.8 mt-10 -47.42 -62.05 1.62 Allowed 'General case' 0 N--CA 1.464 0.261 0 CA-C-N 115.562 -0.744 . . . . 0.0 111.634 178.738 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 62' ' ' HIS . . . . . 0.541 ' HB2' ' O ' ' A' ' 56' ' ' ASN . 81.5 m-70 -85.33 -18.67 33.11 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-N 116.024 -0.534 . . . . 0.0 111.316 -171.376 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 63' ' ' ARG . . . . . . . . . . . . . 7.8 tpm_? -69.05 -56.96 6.15 Favored 'General case' 0 C--N 1.326 -0.437 0 N-CA-C 109.786 -0.45 . . . . 0.0 109.786 176.426 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 64' ' ' LYS . . . . . 0.411 ' HG2' ' O ' ' A' ' 60' ' ' ALA . 21.5 pttp -68.09 -21.04 64.99 Favored 'General case' 0 C--O 1.222 -0.346 0 N-CA-C 109.77 -0.456 . . . . 0.0 109.77 177.885 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 65' ' ' LEU . . . . . 0.508 ' HB3' ' O ' ' A' ' 62' ' ' HIS . 52.2 tp -55.33 -51.85 65.38 Favored 'General case' 0 C--N 1.332 -0.186 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.295 173.106 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 3.0 tt -59.64 -46.22 89.64 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 115.921 -0.581 . . . . 0.0 109.611 -179.957 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -54.41 -53.64 51.32 Favored 'General case' 0 N--CA 1.466 0.348 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.122 176.517 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 68' ' ' GLN . . . . . 0.527 ' HB3' HG12 ' A' ' 82' ' ' ILE . 86.3 mt-30 -58.15 -49.68 76.17 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.061 -0.518 . . . . 0.0 111.151 -178.659 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 69' ' ' GLU . . . . . 0.411 ' HG3' ' O ' ' A' ' 65' ' ' LEU . 42.5 mt-10 -60.65 -43.23 97.85 Favored 'General case' 0 C--O 1.235 0.311 0 CA-C-O 120.807 0.337 . . . . 0.0 110.594 -179.409 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 70' ' ' MET . . . . . . . . . . . . . 49.6 ttm -60.05 -52.24 66.21 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 115.926 -0.579 . . . . 0.0 111.076 -179.043 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 71' ' ' VAL . . . . . . . . . . . . . 97.3 t -61.33 -34.62 61.77 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.358 0 CA-C-N 116.055 -0.521 . . . . 0.0 110.831 -179.086 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 50.4 m -65.29 -37.81 88.32 Favored 'General case' 0 C--N 1.325 -0.48 0 N-CA-C 111.907 0.336 . . . . 0.0 111.907 -178.861 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 73' ' ' PHE . . . . . . . . . . . . . 62.9 t80 -92.59 -47.37 7.15 Favored 'General case' 0 C--N 1.325 -0.477 0 N-CA-C 111.903 0.334 . . . . 0.0 111.903 -174.058 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 74' ' ' LEU . . . . . 0.413 ' HB3' HG13 ' A' ' 34' ' ' ILE . 83.0 mt -80.59 -47.46 14.12 Favored 'General case' 0 C--N 1.325 -0.465 0 CA-C-O 120.869 0.366 . . . . 0.0 111.941 -173.211 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 75' ' ' PHE . . . . . . . . . . . . . 58.1 t80 -89.1 -42.99 11.38 Favored 'General case' 0 C--N 1.323 -0.545 0 CA-C-O 120.869 0.366 . . . . 0.0 110.32 -177.85 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 32.7 tt0 60.74 90.31 0.07 Allowed 'General case' 0 C--N 1.331 -0.215 0 CA-C-N 114.933 -1.03 . . . . 0.0 110.525 -176.628 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . 157.32 44.47 0.02 OUTLIER Glycine 0 N--CA 1.445 -0.747 0 C-N-CA 120.674 -0.774 . . . . 0.0 112.295 -178.113 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 78' ' ' LYS . . . . . 0.515 ' HD2' ' O ' ' A' ' 78' ' ' LYS . 2.8 pptp? -99.04 139.2 35.04 Favored 'General case' 0 C--N 1.324 -0.509 0 CA-C-O 121.075 0.464 . . . . 0.0 110.585 178.56 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 79' ' ' ASP . . . . . . . . . . . . . 5.3 m-20 -90.39 -32.1 16.59 Favored 'General case' 0 C--N 1.319 -0.757 0 CA-C-N 115.929 -0.578 . . . . 0.0 110.01 176.299 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 80' ' ' VAL . . . . . 0.505 ' O ' ' HD3' ' A' ' 78' ' ' LYS . 46.2 t -70.62 110.5 3.71 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.447 0 CA-C-N 115.369 -0.832 . . . . 0.0 110.746 -177.574 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 81' ' ' HIS . . . . . . . . . . . . . 23.1 m170 -76.18 147.67 38.28 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-O 121.069 0.462 . . . . 0.0 110.661 179.838 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 82' ' ' ILE . . . . . 0.527 HG12 ' HB3' ' A' ' 68' ' ' GLN . 32.7 mt -94.1 90.19 2.76 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.592 0 CA-C-N 115.651 -0.704 . . . . 0.0 112.404 -168.213 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 22.3 tt0 58.18 18.38 5.28 Favored 'General case' 0 N--CA 1.468 0.434 0 CA-C-N 115.638 -0.71 . . . . 0.0 112.024 172.601 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 84' ' ' GLY . . . . . . . . . . . . . . . -76.48 -59.07 3.39 Favored Glycine 0 N--CA 1.449 -0.445 0 C-N-CA 120.679 -0.772 . . . . 0.0 111.517 179.382 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 85' ' ' TYR . . . . . . . . . . . . . 83.8 m-85 -121.4 143.3 49.3 Favored 'General case' 0 C--N 1.321 -0.649 0 N-CA-C 109.824 -0.436 . . . . 0.0 109.824 176.55 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 86' ' ' THR . . . . . . . . . . . . . 21.6 m -129.79 106.85 16.87 Favored Pre-proline 0 C--N 1.322 -0.593 0 CA-C-N 116.207 -0.452 . . . . 0.0 111.05 -176.489 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 87' ' ' PRO . . . . . . . . . . . . . 14.9 Cg_exo -69.44 148.65 67.59 Favored 'Trans proline' 0 N--CA 1.462 -0.374 0 C-N-CA 122.581 2.187 . . . . 0.0 111.168 173.658 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 88' ' ' GLU . . . . . 0.516 ' HA ' ' OE1' ' A' ' 88' ' ' GLU . 3.9 mm-40 -81.93 75.64 8.86 Favored 'General case' 0 C--N 1.325 -0.482 0 CA-C-O 121.783 0.801 . . . . 0.0 110.871 178.37 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 89' ' ' ASP . . . . . . . . . . . . . 54.1 t0 -157.99 98.28 1.6 Allowed 'General case' 0 C--N 1.32 -0.698 0 CA-C-N 114.082 -1.417 . . . . 0.0 108.102 175.373 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 3.5 mptp? -69.77 99.19 1.32 Allowed 'General case' 0 C--N 1.32 -0.677 0 CA-C-O 121.474 0.654 . . . . 0.0 110.358 -174.263 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 91' ' ' LYS . . . . . . . . . . . . . 41.2 ttmt . . . . . 0 C--O 1.248 1.013 0 CA-C-N 115.391 -0.822 . . . . 0.0 110.069 -178.385 . . . . . . . . 0 0 . 1 . 019 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 76.0 mtm . . . . . 0 N--CA 1.483 1.189 0 CA-C-O 120.774 0.321 . . . . 0.0 110.921 . . . . . . . . . 0 0 . 1 . 019 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 24.8 m -89.16 90.26 8.3 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-O 120.991 0.424 . . . . 0.0 110.06 178.793 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 3' ' ' ARG . . . . . . . . . . . . . 39.4 ttm180 -96.69 92.51 6.23 Favored 'General case' 0 C--N 1.324 -0.503 0 CA-C-N 116.149 -0.478 . . . . 0.0 109.973 -179.045 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 17.1 m -86.09 115.51 23.72 Favored 'General case' 0 C--N 1.318 -0.766 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.715 -178.348 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 5' ' ' ILE . . . . . . . . . . . . . 2.7 pp -120.43 169.13 12.05 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 CA-C-N 116.305 -0.407 . . . . 0.0 110.776 179.613 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 6' ' ' PHE . . . . . . . . . . . . . 75.1 t80 -96.56 109.44 22.03 Favored 'General case' 0 C--N 1.322 -0.6 0 N-CA-C 109.319 -0.622 . . . . 0.0 109.319 176.537 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 7' ' ' CYS . . . . . 0.797 ' SG ' ' HB2' ' A' ' 10' ' ' LEU . 9.5 p -87.29 140.16 29.83 Favored 'General case' 0 C--N 1.319 -0.742 0 CA-C-N 116.125 -0.489 . . . . 0.0 111.15 -175.742 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 20.2 m -64.7 -52.55 56.57 Favored 'General case' 0 C--N 1.324 -0.531 0 CA-C-N 115.991 -0.55 . . . . 0.0 111.721 -177.801 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 9' ' ' TYR . . . . . . . . . . . . . 41.6 t80 -67.88 -34.7 77.18 Favored 'General case' 0 C--N 1.325 -0.469 0 N-CA-C 112.474 0.546 . . . . 0.0 112.474 -170.993 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 10' ' ' LEU . . . . . 0.797 ' HB2' ' SG ' ' A' ' 7' ' ' CYS . 92.1 mt -97.09 -23.87 16.03 Favored 'General case' 0 C--N 1.326 -0.443 0 C-N-CA 120.858 -0.337 . . . . 0.0 111.755 -176.744 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 28.2 mm-40 62.15 32.06 17.49 Favored 'General case' 0 N--CA 1.468 0.468 0 CA-C-O 120.892 0.377 . . . . 0.0 111.298 179.33 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 17.7 ptt180 -147.74 -179.07 6.62 Favored 'General case' 0 C--N 1.326 -0.456 0 CA-C-N 116.408 -0.36 . . . . 0.0 110.565 179.637 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 10.1 m-20 -67.72 125.31 25.83 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.278 -0.419 . . . . 0.0 110.637 -178.961 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 14' ' ' ALA . . . . . 0.42 ' HB1' ' HB2' ' A' ' 35' ' ' SER . . . -140.16 178.55 7.2 Favored 'General case' 0 C--N 1.321 -0.65 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.223 177.742 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 14.6 pt-20 -97.8 132.63 43.24 Favored 'General case' 0 C--N 1.322 -0.596 0 CA-C-O 121.314 0.578 . . . . 0.0 110.815 -177.217 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . -67.96 122.69 16.85 Favored Glycine 0 N--CA 1.444 -0.816 0 CA-C-N 115.476 -0.784 . . . . 0.0 112.13 178.996 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 17' ' ' GLN . . . . . . . . . . . . . 4.8 mm-40 -60.38 101.73 0.14 Allowed 'General case' 0 C--N 1.322 -0.594 0 C-N-CA 122.704 0.402 . . . . 0.0 111.588 178.932 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 22.0 t70 -92.81 75.67 4.89 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.981 0.42 . . . . 0.0 110.182 178.932 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 33.2 m-85 -152.45 123.49 7.54 Favored 'General case' 0 C--N 1.323 -0.547 0 CA-C-N 116.065 -0.516 . . . . 0.0 111.009 -179.34 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 81.5 mm-40 -134.07 117.54 16.74 Favored 'General case' 0 C--N 1.322 -0.624 0 CA-C-N 116.071 -0.513 . . . . 0.0 109.683 173.907 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 21' ' ' LEU . . . . . 0.428 HD12 ' N ' ' A' ' 21' ' ' LEU . 4.5 mp -111.85 -84.61 0.57 Allowed 'General case' 0 C--N 1.325 -0.48 0 CA-C-O 121.22 0.533 . . . . 0.0 110.101 -175.706 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 22' ' ' TYR . . . . . 0.502 ' N ' ' HD2' ' A' ' 23' ' ' PRO . 10.5 p90 -108.2 -30.04 0.17 Allowed Pre-proline 0 CA--C 1.543 0.695 0 N-CA-C 113.199 0.815 . . . . 0.0 113.199 177.59 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 23' ' ' PRO . . . . . 0.502 ' HD2' ' N ' ' A' ' 22' ' ' TYR . 73.9 Cg_endo -75.73 169.09 22.98 Favored 'Trans proline' 0 C--N 1.365 1.401 0 CA-C-N 120.81 1.325 . . . . 0.0 111.77 175.239 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -127.97 -110.98 1.6 Allowed Glycine 0 N--CA 1.447 -0.596 0 C-N-CA 120.504 -0.855 . . . . 0.0 112.467 -178.996 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 9.2 pt-20 -62.18 -35.13 77.89 Favored 'General case' 0 C--N 1.326 -0.433 0 N-CA-C 112.042 0.386 . . . . 0.0 112.042 -175.272 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 56.7 tp -66.28 -40.51 90.13 Favored 'General case' 0 C--N 1.329 -0.318 0 N-CA-C 109.315 -0.624 . . . . 0.0 109.315 177.117 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . -65.17 -47.92 75.72 Favored Glycine 0 N--CA 1.446 -0.665 0 N-CA-C 111.107 -0.797 . . . . 0.0 111.107 176.795 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 99.4 mttt -52.52 -50.07 63.58 Favored 'General case' 0 C--N 1.331 -0.216 0 C-N-CA 122.182 0.193 . . . . 0.0 110.948 177.994 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 46.6 ttt180 -50.59 -52.67 36.98 Favored 'General case' 0 C--N 1.331 -0.202 0 CA-C-N 116.321 -0.4 . . . . 0.0 110.705 179.098 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 30' ' ' ILE . . . . . . . . . . . . . 74.3 mt -60.83 -49.84 82.94 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.075 -0.511 . . . . 0.0 110.846 -179.857 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 31' ' ' TYR . . . . . . . . . . . . . 21.5 m-85 -67.29 -11.09 56.66 Favored 'General case' 0 C--N 1.324 -0.52 0 N-CA-C 112.662 0.615 . . . . 0.0 112.662 -173.759 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 32' ' ' ASN . . . . . . . . . . . . . 11.3 m-80 -87.28 -32.1 19.88 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-O 120.61 0.243 . . . . 0.0 111.36 179.137 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 10.7 pt-20 -112.86 -4.04 14.04 Favored 'General case' 0 C--N 1.324 -0.534 0 CA-C-O 121.044 0.45 . . . . 0.0 111.312 -176.678 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 34' ' ' ILE . . . . . 0.455 HD13 ' HA ' ' A' ' 34' ' ' ILE . 11.1 mm -117.39 125.64 74.13 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.606 0 CA-C-O 121.392 0.615 . . . . 0.0 110.802 177.307 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 35' ' ' SER . . . . . 0.42 ' HB2' ' HB1' ' A' ' 14' ' ' ALA . 42.8 t -83.45 162.44 20.97 Favored 'General case' 0 C--N 1.321 -0.669 0 CA-C-N 115.145 -0.934 . . . . 0.0 110.079 177.421 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 84.0 mttt -57.17 -24.98 58.06 Favored 'General case' 0 C--N 1.322 -0.616 0 CA-C-N 115.173 -0.921 . . . . 0.0 110.283 176.962 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 37' ' ' ASP . . . . . 0.597 ' O ' ' HG3' ' A' ' 41' ' ' GLN . 20.4 m-20 -60.16 -64.21 1.03 Allowed 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 115.709 -0.678 . . . . 0.0 110.358 176.369 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -66.42 -38.43 87.43 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 115.929 -0.578 . . . . 0.0 111.315 -175.986 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 39' ' ' TRP . . . . . . . . . . . . . 77.4 t-105 -59.84 -47.27 86.41 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.073 -0.512 . . . . 0.0 110.528 -179.983 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -67.57 -40.49 84.87 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.101 -0.499 . . . . 0.0 111.299 -179.562 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 41' ' ' GLN . . . . . 0.597 ' HG3' ' O ' ' A' ' 37' ' ' ASP . 83.1 mt-30 -60.5 -43.82 96.64 Favored 'General case' 0 CA--C 1.519 -0.226 0 CA-C-N 116.476 -0.329 . . . . 0.0 110.896 -179.876 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 42' ' ' TRP . . . . . . . . . . . . . 30.0 t-105 -65.43 -52.09 55.66 Favored 'General case' 0 N--CA 1.453 -0.321 0 CA-C-N 116.449 -0.341 . . . . 0.0 110.945 -177.8 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 43' ' ' GLN . . . . . . . . . . . . . 80.4 mt-30 -58.9 -39.56 81.84 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.682 0.277 . . . . 0.0 110.648 -179.385 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 44' ' ' HIS . . . . . . . . . . . . . 15.3 t-80 -64.44 -51.56 62.5 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-N 116.397 -0.365 . . . . 0.0 110.44 178.513 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 16.1 tppt? -58.06 -48.29 80.58 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 115.842 -0.617 . . . . 0.0 111.182 179.694 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 46' ' ' GLN . . . . . 0.498 ' O ' HG13 ' A' ' 50' ' ' ILE . 5.4 tt0 -67.24 -45.6 76.24 Favored 'General case' 0 N--CA 1.449 -0.498 0 CA-C-N 116.657 -0.247 . . . . 0.0 111.217 -175.501 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 91.4 m -58.47 -41.98 86.46 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-O 120.934 0.397 . . . . 0.0 110.307 179.008 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 48' ' ' MET . . . . . 0.492 ' O ' ' HG3' ' A' ' 52' ' ' GLU . 28.1 ttt -62.18 -45.13 94.77 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-O 121.133 0.492 . . . . 0.0 110.237 175.621 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 11.1 tp -60.21 -43.23 96.13 Favored 'General case' 0 C--N 1.325 -0.461 0 CA-C-N 115.233 -0.894 . . . . 0.0 110.786 -177.894 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 50' ' ' ILE . . . . . 0.498 HG13 ' O ' ' A' ' 46' ' ' GLN . 88.5 mt -59.58 -43.31 90.7 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 115.796 -0.638 . . . . 0.0 111.006 178.762 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 51' ' ' ASN . . . . . . . . . . . . . 4.1 m-20 -73.18 -33.89 65.69 Favored 'General case' 0 C--N 1.324 -0.505 0 CA-C-N 116.038 -0.528 . . . . 0.0 111.233 -177.325 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 52' ' ' GLU . . . . . 0.492 ' HG3' ' O ' ' A' ' 48' ' ' MET . 49.9 mt-10 -67.24 -53.51 29.47 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-O 120.969 0.414 . . . . 0.0 110.39 176.722 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 66.9 mttm -69.21 -28.07 66.05 Favored 'General case' 0 C--N 1.324 -0.504 0 CA-C-N 115.848 -0.615 . . . . 0.0 111.091 -177.843 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 92.1 mttt 57.5 78.76 0.22 Allowed 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 115.569 -0.741 . . . . 0.0 110.039 -172.87 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 4.0 pp -133.11 157.24 45.81 Favored 'General case' 0 C--N 1.323 -0.547 0 CA-C-N 115.245 -0.888 . . . . 0.0 109.898 -178.794 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 56' ' ' ASN . . . . . . . . . . . . . 18.8 m120 -108.13 136.96 46.93 Favored 'General case' 0 C--N 1.322 -0.613 0 CA-C-O 121.082 0.467 . . . . 0.0 110.966 -178.462 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 57' ' ' MET . . . . . . . . . . . . . 23.3 mmt -85.67 -2.01 57.75 Favored 'General case' 0 C--N 1.326 -0.442 0 CA-C-N 115.749 -0.659 . . . . 0.0 110.356 176.558 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 58' ' ' MET . . . . . . . . . . . . . 65.6 mtt -72.3 -18.3 61.8 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 115.416 -0.811 . . . . 0.0 109.354 173.573 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 59' ' ' ASN . . . . . . . . . . . . . 2.3 m-20 -89.02 137.03 32.69 Favored 'General case' 0 C--N 1.323 -0.56 0 CA-C-N 115.148 -0.933 . . . . 0.0 110.107 -178.809 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 60' ' ' ALA . . . . . 0.535 ' O ' ' HG2' ' A' ' 64' ' ' LYS . . . -63.29 -19.56 64.7 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.344 -0.389 . . . . 0.0 110.637 178.698 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 20.4 mt-10 -56.02 -57.14 13.4 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-O 121.726 0.774 . . . . 0.0 110.005 174.692 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 62' ' ' HIS . . . . . 0.451 ' HA ' ' HB3' ' A' ' 65' ' ' LEU . 95.3 m-70 -91.24 -15.77 28.7 Favored 'General case' 0 C--N 1.323 -0.561 0 CA-C-N 115.085 -0.961 . . . . 0.0 111.333 -169.605 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 63' ' ' ARG . . . . . 0.415 ' O ' ' HB3' ' A' ' 66' ' ' LEU . 21.7 tpp180 -63.44 -49.4 73.85 Favored 'General case' 0 C--O 1.238 0.48 0 CA-C-O 121.085 0.469 . . . . 0.0 110.032 175.441 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 64' ' ' LYS . . . . . 0.535 ' HG2' ' O ' ' A' ' 60' ' ' ALA . 18.9 pttm -73.04 -34.13 66.13 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.124 177.139 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 65' ' ' LEU . . . . . 0.545 ' O ' ' HG3' ' A' ' 69' ' ' GLU . 47.9 tp -55.85 -46.04 78.3 Favored 'General case' 0 N--CA 1.463 0.206 0 N-CA-C 109.862 -0.421 . . . . 0.0 109.862 175.504 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 66' ' ' LEU . . . . . 0.415 ' HB3' ' O ' ' A' ' 63' ' ' ARG . 8.9 tp -48.4 -57.09 6.56 Favored 'General case' 0 C--N 1.332 -0.174 0 CA-C-N 115.79 -0.641 . . . . 0.0 110.861 173.344 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 2.4 tm-20 -53.94 -43.74 70.07 Favored 'General case' 0 C--O 1.235 0.304 0 CA-C-N 116.11 -0.496 . . . . 0.0 110.618 178.333 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 68' ' ' GLN . . . . . 0.516 ' HB3' HG12 ' A' ' 82' ' ' ILE . 58.0 mt-30 -59.18 -62.58 1.78 Allowed 'General case' 0 C--N 1.321 -0.673 0 CA-C-N 115.799 -0.637 . . . . 0.0 111.359 -179.431 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 69' ' ' GLU . . . . . 0.545 ' HG3' ' O ' ' A' ' 65' ' ' LEU . 17.3 mt-10 -63.92 -41.94 97.52 Favored 'General case' 0 C--N 1.325 -0.498 0 CA-C-N 116.461 -0.336 . . . . 0.0 111.365 -174.092 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 70' ' ' MET . . . . . . . . . . . . . 59.0 ttp -58.56 -54.38 47.7 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.085 -0.507 . . . . 0.0 111.439 -176.229 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 71' ' ' VAL . . . . . 0.418 ' HB ' ' NZ ' ' A' ' 78' ' ' LYS . 96.3 t -64.04 -38.24 81.92 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.409 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.124 -178.177 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 72' ' ' SER . . . . . 0.599 ' OG ' ' HE2' ' A' ' 78' ' ' LYS . 68.4 m -73.35 -12.59 60.88 Favored 'General case' 0 C--N 1.327 -0.372 0 N-CA-C 111.939 0.348 . . . . 0.0 111.939 -178.524 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 73' ' ' PHE . . . . . . . . . . . . . 55.7 t80 -98.41 -44.94 6.32 Favored 'General case' 0 C--N 1.325 -0.481 0 C-N-CA 120.662 -0.415 . . . . 0.0 110.819 177.248 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 74' ' ' LEU . . . . . . . . . . . . . 97.0 mt -78.17 -49.6 13.52 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 116.335 -0.393 . . . . 0.0 111.565 -176.684 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 75' ' ' PHE . . . . . . . . . . . . . 20.3 m-30 -95.41 -11.16 28.11 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.884 0.373 . . . . 0.0 110.207 179.556 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 76' ' ' GLU . . . . . 0.557 ' HA ' ' O ' ' A' ' 72' ' ' SER . 50.2 mt-10 70.67 -75.56 0.07 Allowed 'General case' 0 N--CA 1.466 0.358 0 CA-C-N 115.252 -0.886 . . . . 0.0 112.479 177.562 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . -92.74 88.18 1.28 Allowed Glycine 0 N--CA 1.445 -0.72 0 C-N-CA 120.651 -0.785 . . . . 0.0 113.971 -168.147 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 78' ' ' LYS . . . . . 0.599 ' HE2' ' OG ' ' A' ' 72' ' ' SER . 0.0 OUTLIER -121.58 159.6 26.08 Favored 'General case' 0 C--N 1.328 -0.337 0 N-CA-C 109.649 -0.5 . . . . 0.0 109.649 170.672 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 79' ' ' ASP . . . . . . . . . . . . . 43.7 m-20 -89.77 -16.19 30.79 Favored 'General case' 0 C--N 1.326 -0.433 0 N-CA-C 113.636 0.976 . . . . 0.0 113.636 -165.357 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 80' ' ' VAL . . . . . 0.506 ' HB ' ' HE3' ' A' ' 78' ' ' LYS . 67.0 t -66.24 120.12 12.73 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.552 0 N-CA-C 110.01 -0.367 . . . . 0.0 110.01 177.179 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 81' ' ' HIS . . . . . . . . . . . . . 74.9 m-70 -77.47 132.49 38.46 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.083 -0.508 . . . . 0.0 111.309 -174.556 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 82' ' ' ILE . . . . . 0.516 HG12 ' HB3' ' A' ' 68' ' ' GLN . 11.9 mt -103.98 112.44 37.52 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.532 0 N-CA-C 109.654 -0.498 . . . . 0.0 109.654 177.979 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 5.9 mm-40 64.34 24.59 13.29 Favored 'General case' 0 N--CA 1.466 0.372 0 CA-C-O 121.196 0.522 . . . . 0.0 110.929 -179.406 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 84' ' ' GLY . . . . . . . . . . . . . . . -93.06 17.25 58.64 Favored Glycine 0 N--CA 1.447 -0.612 0 C-N-CA 120.969 -0.634 . . . . 0.0 111.989 179.719 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 85' ' ' TYR . . . . . . . . . . . . . 56.6 m-85 66.3 21.45 10.98 Favored 'General case' 0 N--CA 1.463 0.22 0 C-N-CA 123.058 0.543 . . . . 0.0 111.924 179.078 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 86' ' ' THR . . . . . 0.4 ' HA ' ' HD3' ' A' ' 87' ' ' PRO . 23.6 p -89.53 121.2 69.43 Favored Pre-proline 0 N--CA 1.448 -0.542 0 N-CA-C 108.962 -0.755 . . . . 0.0 108.962 170.301 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 87' ' ' PRO . . . . . 0.4 ' HD3' ' HA ' ' A' ' 86' ' ' THR . 8.1 Cg_exo -71.94 5.02 2.78 Favored 'Trans proline' 0 CA--C 1.528 0.213 0 C-N-CA 122.568 2.179 . . . . 0.0 113.137 -175.977 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 88' ' ' GLU . . . . . . . . . . . . . 19.2 mm-40 58.77 30.82 20.52 Favored 'General case' 0 C--O 1.233 0.219 0 CA-C-O 121.241 0.543 . . . . 0.0 110.011 -175.946 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 89' ' ' ASP . . . . . . . . . . . . . 1.6 p-10 -51.9 -70.49 0.09 Allowed 'General case' 0 C--O 1.232 0.161 0 CA-C-N 114.797 -1.092 . . . . 0.0 111.299 -178.511 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 54.8 tttp -95.15 -19.77 19.82 Favored 'General case' 0 C--N 1.326 -0.447 0 N-CA-C 109.086 -0.709 . . . . 0.0 109.086 172.524 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 91' ' ' LYS . . . . . . . . . . . . . 49.2 tttp . . . . . 0 C--O 1.248 1.02 0 CA-C-N 114.876 -1.056 . . . . 0.0 110.699 179.119 . . . . . . . . 0 0 . 1 . 020 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 16.4 tpt . . . . . 0 N--CA 1.478 0.962 0 N-CA-C 109.937 -0.394 . . . . 0.0 109.937 . . . . . . . . . 0 0 . 1 . 020 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 19.6 m -74.47 128.25 35.07 Favored 'General case' 0 C--N 1.324 -0.506 0 N-CA-C 109.8 -0.444 . . . . 0.0 109.8 178.809 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 3' ' ' ARG . . . . . . . . . . . . . 30.3 tpt180 -81.5 128.56 34.03 Favored 'General case' 0 C--N 1.324 -0.54 0 CA-C-O 121.089 0.471 . . . . 0.0 110.975 -176.606 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 4' ' ' THR . . . . . 0.43 ' HA ' ' O ' ' A' ' 14' ' ' ALA . 22.7 p -87.02 103.72 15.63 Favored 'General case' 0 C--N 1.324 -0.539 0 CA-C-N 115.506 -0.77 . . . . 0.0 110.798 177.494 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 5' ' ' ILE . . . . . . . . . . . . . 2.8 pp -103.34 170.02 1.89 Allowed 'Isoleucine or valine' 0 C--N 1.321 -0.64 0 CA-C-N 115.955 -0.566 . . . . 0.0 110.688 -179.69 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 6' ' ' PHE . . . . . . . . . . . . . 83.4 m-85 -100.77 98.32 8.86 Favored 'General case' 0 C--N 1.322 -0.626 0 CA-C-O 120.993 0.425 . . . . 0.0 110.097 178.731 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 7' ' ' CYS . . . . . 0.464 ' HA ' ' O ' ' A' ' 33' ' ' GLU . 53.0 t -65.6 134.17 52.72 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-N 115.727 -0.67 . . . . 0.0 111.08 -176.862 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 8.8 p -58.85 -47.86 83.4 Favored 'General case' 0 C--N 1.325 -0.485 0 CA-C-N 115.949 -0.569 . . . . 0.0 111.965 -179.333 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 9' ' ' TYR . . . . . . . . . . . . . 60.7 t80 -73.89 -37.43 64.69 Favored 'General case' 0 C--N 1.324 -0.528 0 CA-C-N 115.929 -0.578 . . . . 0.0 111.656 -174.863 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 93.7 mt -86.85 -28.4 22.9 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-N 116.569 -0.287 . . . . 0.0 111.756 -175.944 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 29.1 mm-40 59.86 36.25 21.9 Favored 'General case' 0 N--CA 1.466 0.325 0 CA-C-O 120.965 0.412 . . . . 0.0 111.185 -179.575 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 6.9 ptp180 -151.38 176.96 10.76 Favored 'General case' 0 C--N 1.324 -0.51 0 CA-C-N 116.005 -0.543 . . . . 0.0 109.909 -179.192 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 7.6 m-20 -66.02 124.72 23.34 Favored 'General case' 0 C--N 1.327 -0.407 0 O-C-N 123.669 0.606 . . . . 0.0 110.067 177.033 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 14' ' ' ALA . . . . . 0.435 ' HB1' ' HB2' ' A' ' 35' ' ' SER . . . -142.54 179.6 6.87 Favored 'General case' 0 C--N 1.318 -0.763 0 CA-C-N 116.408 -0.36 . . . . 0.0 110.664 -178.731 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 16.4 pt-20 -94.85 144.53 25.57 Favored 'General case' 0 C--N 1.322 -0.594 0 CA-C-N 116.722 -0.217 . . . . 0.0 110.439 -179.063 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . -63.17 105.61 1.08 Allowed Glycine 0 N--CA 1.451 -0.327 0 N-CA-C 110.113 -1.195 . . . . 0.0 110.113 168.665 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 17' ' ' GLN . . . . . 0.634 ' HG3' ' N ' ' A' ' 18' ' ' ASP . 12.0 pt20 -44.48 -57.59 3.48 Favored 'General case' 0 CA--C 1.53 0.209 0 N-CA-C 113.727 1.01 . . . . 0.0 113.727 -163.576 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 18' ' ' ASP . . . . . 0.634 ' N ' ' HG3' ' A' ' 17' ' ' GLN . 0.9 OUTLIER -162.34 -158.4 0.52 Allowed 'General case' 0 C--N 1.323 -0.556 0 C-N-CA 120.645 -0.422 . . . . 0.0 110.496 -171.287 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 54.4 m-85 -112.65 177.95 4.46 Favored 'General case' 0 C--N 1.322 -0.6 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.476 -177.486 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 51.5 mt-30 -86.94 120.06 27.82 Favored 'General case' 0 C--N 1.325 -0.459 0 CA-C-O 120.949 0.404 . . . . 0.0 110.353 178.394 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 4.3 mp -90.31 -55.13 3.72 Favored 'General case' 0 C--N 1.324 -0.517 0 CA-C-N 115.871 -0.604 . . . . 0.0 109.458 179.002 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 22' ' ' TYR . . . . . 0.671 ' H ' ' CD ' ' A' ' 23' ' ' PRO . 24.9 p90 -149.37 -33.74 0.0 OUTLIER Pre-proline 0 CA--C 1.54 0.593 0 N-CA-C 112.975 0.732 . . . . 0.0 112.975 177.074 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 23' ' ' PRO . . . . . 0.671 ' CD ' ' H ' ' A' ' 22' ' ' TYR . 52.8 Cg_exo -57.8 136.96 78.66 Favored 'Trans proline' 0 C--N 1.364 1.35 0 C-N-CA 121.234 1.289 . . . . 0.0 111.802 173.68 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -93.83 -114.33 2.45 Favored Glycine 0 N--CA 1.451 -0.358 0 C-N-CA 121.339 -0.458 . . . . 0.0 113.028 -171.085 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -64.08 -41.97 97.13 Favored 'General case' 0 C--N 1.332 -0.166 0 CA-C-O 120.629 0.252 . . . . 0.0 111.035 -175.321 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 63.0 tp -67.09 -35.21 79.29 Favored 'General case' 0 C--N 1.327 -0.396 0 N-CA-C 109.681 -0.489 . . . . 0.0 109.681 176.176 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 27' ' ' GLY . . . . . 0.519 ' HA3' ' HB2' ' A' ' 23' ' ' PRO . . . -62.41 -53.02 45.05 Favored Glycine 0 N--CA 1.445 -0.743 0 CA-C-N 115.561 -0.745 . . . . 0.0 111.718 176.509 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 48.0 tttm -54.98 -45.27 74.99 Favored 'General case' 0 N--CA 1.452 -0.365 0 O-C-N 123.738 0.316 . . . . 0.0 110.515 178.453 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 33.4 ttt180 -52.47 -39.36 61.08 Favored 'General case' 0 C--O 1.224 -0.249 0 CA-C-N 115.547 -0.752 . . . . 0.0 111.057 179.835 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 30' ' ' ILE . . . . . . . . . . . . . 76.0 mt -78.43 -46.11 25.51 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.626 0 CA-C-N 116.701 -0.227 . . . . 0.0 111.397 179.582 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 31' ' ' TYR . . . . . 0.41 ' O ' ' HG2' ' A' ' 17' ' ' GLN . 22.6 m-85 -60.47 -30.64 69.8 Favored 'General case' 0 CA--C 1.533 0.289 0 N-CA-C 113.049 0.759 . . . . 0.0 113.049 -172.02 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 32' ' ' ASN . . . . . 0.436 ' C ' HD22 ' A' ' 32' ' ' ASN . 0.4 OUTLIER -103.61 0.23 30.5 Favored 'General case' 0 C--N 1.329 -0.316 0 N-CA-C 112.694 0.628 . . . . 0.0 112.694 -177.342 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 33' ' ' GLU . . . . . 0.464 ' O ' ' HA ' ' A' ' 7' ' ' CYS . 52.5 mm-40 -112.34 -15.39 13.15 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-O 121.158 0.504 . . . . 0.0 110.562 176.126 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 34' ' ' ILE . . . . . 0.415 HD13 ' SG ' ' A' ' 7' ' ' CYS . 1.6 mm -113.58 136.15 50.9 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.541 0 CA-C-O 121.396 0.617 . . . . 0.0 111.255 179.66 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 35' ' ' SER . . . . . 0.435 ' HB2' ' HB1' ' A' ' 14' ' ' ALA . 43.4 t -82.43 151.46 26.57 Favored 'General case' 0 N--CA 1.448 -0.572 0 CA-C-N 115.316 -0.856 . . . . 0.0 109.868 176.62 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 36' ' ' LYS . . . . . 0.431 ' HE3' ' O ' ' A' ' 17' ' ' GLN . 4.7 tppp? -57.79 -28.25 63.84 Favored 'General case' 0 C--N 1.324 -0.527 0 CA-C-N 115.961 -0.563 . . . . 0.0 110.226 178.099 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 22.3 t70 -61.05 -53.27 59.23 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-O 120.995 0.426 . . . . 0.0 110.431 176.348 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -68.56 -36.34 78.63 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.076 -0.511 . . . . 0.0 110.645 -179.718 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 39' ' ' TRP . . . . . 0.46 ' O ' ' HG3' ' A' ' 43' ' ' GLN . 76.2 t-105 -61.03 -40.78 94.9 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 115.828 -0.624 . . . . 0.0 110.342 176.829 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -72.43 -45.61 58.83 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 115.967 -0.561 . . . . 0.0 110.983 178.592 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 15.6 mm100 -59.2 -39.71 83.47 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.079 -0.509 . . . . 0.0 111.272 179.445 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 42' ' ' TRP . . . . . . . . . . . . . 38.2 t-105 -63.03 -56.66 15.05 Favored 'General case' 0 C--O 1.22 -0.451 0 C-N-CA 120.828 -0.349 . . . . 0.0 110.916 177.918 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 43' ' ' GLN . . . . . 0.46 ' HG3' ' O ' ' A' ' 39' ' ' TRP . 39.1 mt-30 -61.83 -30.91 71.15 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-O 120.859 0.361 . . . . 0.0 111.093 -175.891 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 44' ' ' HIS . . . . . . . . . . . . . 47.8 t-80 -62.45 -49.38 75.65 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-N 115.797 -0.638 . . . . 0.0 110.025 177.291 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 45' ' ' LYS . . . . . 0.681 ' O ' ' HG ' ' A' ' 49' ' ' LEU . 4.2 tppp? -70.87 -37.75 73.06 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-N 115.809 -0.632 . . . . 0.0 110.299 179.179 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 46' ' ' GLN . . . . . 0.485 ' O ' HG13 ' A' ' 50' ' ' ILE . 16.0 tt0 -55.43 -53.84 51.23 Favored 'General case' 0 C--N 1.326 -0.413 0 CA-C-N 115.646 -0.706 . . . . 0.0 110.332 178.978 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 27.4 m -59.33 -39.9 84.61 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-N 115.801 -0.636 . . . . 0.0 110.426 178.837 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 48' ' ' MET . . . . . . . . . . . . . 13.6 tpt -70.64 -14.27 62.41 Favored 'General case' 0 CA--C 1.532 0.271 0 CA-C-O 121.262 0.553 . . . . 0.0 111.155 -178.402 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 49' ' ' LEU . . . . . 0.681 ' HG ' ' O ' ' A' ' 45' ' ' LYS . 83.2 mt -86.52 -44.16 12.17 Favored 'General case' 0 C--N 1.322 -0.604 0 N-CA-C 109.315 -0.624 . . . . 0.0 109.315 172.611 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 50' ' ' ILE . . . . . 0.485 HG13 ' O ' ' A' ' 46' ' ' GLN . 67.5 mt -64.18 -51.77 64.5 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.516 0 CA-C-N 115.185 -0.916 . . . . 0.0 111.814 -177.584 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 51' ' ' ASN . . . . . . . . . . . . . 36.0 p-10 -73.97 -19.22 60.73 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.855 -171.741 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 11.5 mm-40 -93.14 -42.6 9.3 Favored 'General case' 0 C--N 1.324 -0.513 0 CA-C-O 120.859 0.361 . . . . 0.0 111.043 179.89 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 56.7 mttp -79.53 -19.68 48.97 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.77 -179.78 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 56.2 mtpt 60.11 40.57 18.22 Favored 'General case' 0 N--CA 1.461 0.12 0 CA-C-N 115.73 -0.668 . . . . 0.0 110.912 175.351 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 55' ' ' LEU . . . . . 0.515 ' O ' HD12 ' A' ' 55' ' ' LEU . 2.4 pp -98.63 143.42 29.04 Favored 'General case' 0 C--N 1.323 -0.552 0 CA-C-N 116.002 -0.544 . . . . 0.0 111.138 -177.906 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 56' ' ' ASN . . . . . . . . . . . . . 16.9 p30 -95.32 137.03 34.94 Favored 'General case' 0 C--N 1.323 -0.577 0 CA-C-N 115.98 -0.555 . . . . 0.0 110.174 176.825 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 57' ' ' MET . . . . . 0.487 ' O ' ' HG2' ' A' ' 63' ' ' ARG . 15.1 ptp -109.86 15.11 22.88 Favored 'General case' 0 C--N 1.315 -0.896 0 O-C-N 122.109 -0.369 . . . . 0.0 111.34 -175.299 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 58' ' ' MET . . . . . . . . . . . . . 71.9 mtm -75.09 -19.93 59.73 Favored 'General case' 0 C--N 1.325 -0.475 0 N-CA-C 108.437 -0.949 . . . . 0.0 108.437 168.417 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 59' ' ' ASN . . . . . . . . . . . . . 3.9 m-20 -71.09 136.52 48.28 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 114.608 -1.178 . . . . 0.0 109.281 171.169 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -58.45 -41.23 84.66 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-O 120.77 0.319 . . . . 0.0 111.818 -175.669 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 27.4 mm-40 -62.76 -40.35 96.97 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 116.091 -0.504 . . . . 0.0 111.642 -178.083 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 62' ' ' HIS . . . . . . . . . . . . . 39.0 m170 -79.28 -26.48 42.32 Favored 'General case' 0 C--N 1.324 -0.516 0 CA-C-N 116.475 -0.33 . . . . 0.0 111.13 -177.581 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 63' ' ' ARG . . . . . 0.487 ' HG2' ' O ' ' A' ' 57' ' ' MET . 0.0 OUTLIER -68.17 -52.01 39.31 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-O 120.9 0.381 . . . . 0.0 110.1 178.379 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 63.9 pttt -68.35 -27.69 66.48 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 115.907 -0.588 . . . . 0.0 110.445 -178.795 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 65' ' ' LEU . . . . . 0.425 HD22 ' HA ' ' A' ' 65' ' ' LEU . 1.1 tm? -59.57 -54.66 43.91 Favored 'General case' 0 C--N 1.329 -0.29 0 N-CA-C 109.641 -0.504 . . . . 0.0 109.641 178.069 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 66' ' ' LEU . . . . . 0.421 HD23 ' C ' ' A' ' 66' ' ' LEU . 7.2 tt -56.12 -52.05 65.72 Favored 'General case' 0 C--O 1.226 -0.179 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.104 177.653 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 67' ' ' GLU . . . . . 0.457 ' O ' HG23 ' A' ' 71' ' ' VAL . 42.7 tt0 -51.93 -54.06 33.87 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 115.782 -0.645 . . . . 0.0 111.522 -179.64 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 68' ' ' GLN . . . . . . . . . . . . . 57.2 mt-30 -66.09 -41.67 90.37 Favored 'General case' 0 C--N 1.325 -0.481 0 CA-C-N 116.323 -0.399 . . . . 0.0 111.62 -177.938 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 6.4 tp10 -64.09 -36.4 83.89 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-O 121.246 0.546 . . . . 0.0 110.004 179.504 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 70' ' ' MET . . . . . . . . . . . . . 58.3 ttp -62.27 -47.71 83.13 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 115.487 -0.779 . . . . 0.0 110.511 178.228 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 71' ' ' VAL . . . . . 0.457 HG23 ' O ' ' A' ' 67' ' ' GLU . 55.8 t -60.44 -37.55 75.0 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.415 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.26 178.474 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 72' ' ' SER . . . . . 0.487 ' O ' ' HA ' ' A' ' 76' ' ' GLU . 16.5 m -69.15 -26.65 64.98 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 115.997 -0.547 . . . . 0.0 111.576 -178.234 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 73' ' ' PHE . . . . . . . . . . . . . 43.5 t80 -92.23 -36.21 13.38 Favored 'General case' 0 C--N 1.326 -0.455 0 CA-C-O 120.743 0.306 . . . . 0.0 111.106 -177.894 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 74' ' ' LEU . . . . . . . . . . . . . 10.9 mp -88.74 -40.99 12.83 Favored 'General case' 0 C--N 1.324 -0.506 0 N-CA-C 112.029 0.381 . . . . 0.0 112.029 -176.086 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 75' ' ' PHE . . . . . . . . . . . . . 57.4 t80 -108.64 -24.78 11.2 Favored 'General case' 0 C--N 1.325 -0.469 0 CA-C-N 116.502 -0.317 . . . . 0.0 110.763 -175.713 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 76' ' ' GLU . . . . . 0.487 ' HA ' ' O ' ' A' ' 72' ' ' SER . 48.9 mt-10 72.79 -55.89 0.67 Allowed 'General case' 0 N--CA 1.468 0.465 0 C-N-CA 123.764 0.826 . . . . 0.0 112.049 177.566 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . -82.16 84.64 1.49 Allowed Glycine 0 N--CA 1.45 -0.43 0 C-N-CA 120.951 -0.642 . . . . 0.0 113.008 -176.055 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -111.29 176.08 5.17 Favored 'General case' 0 C--N 1.323 -0.55 0 CA-C-O 120.722 0.296 . . . . 0.0 110.923 177.671 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 79' ' ' ASP . . . . . . . . . . . . . 25.8 m-20 -99.45 -45.13 5.93 Favored 'General case' 0 C--N 1.324 -0.503 0 CA-C-N 116.47 -0.332 . . . . 0.0 111.554 -176.223 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 80' ' ' VAL . . . . . . . . . . . . . 36.1 t -65.34 130.08 30.21 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.442 0 CA-C-O 121.463 0.649 . . . . 0.0 112.02 -170.729 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 81' ' ' HIS . . . . . . . . . . . . . 7.8 t-160 -80.16 102.54 9.46 Favored 'General case' 0 C--N 1.323 -0.583 0 CA-C-N 115.222 -0.899 . . . . 0.0 109.135 176.477 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 82' ' ' ILE . . . . . 0.412 HG22 ' HG2' ' A' ' 83' ' ' GLU . 51.1 mt -80.61 127.2 39.62 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.521 0 CA-C-N 116.322 -0.399 . . . . 0.0 111.091 -173.384 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 83' ' ' GLU . . . . . 0.412 ' HG2' HG22 ' A' ' 82' ' ' ILE . 10.1 mm-40 65.78 11.66 7.75 Favored 'General case' 0 N--CA 1.467 0.386 0 CA-C-N 115.743 -0.662 . . . . 0.0 112.021 176.764 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 84' ' ' GLY . . . . . . . . . . . . . . . -134.6 106.37 0.6 Allowed Glycine 0 N--CA 1.447 -0.577 0 N-CA-C 111.243 -0.743 . . . . 0.0 111.243 179.098 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 85' ' ' TYR . . . . . . . . . . . . . 45.5 m-85 -127.76 124.34 37.49 Favored 'General case' 0 C--N 1.322 -0.615 0 CA-C-N 116.842 0.321 . . . . 0.0 110.316 -175.954 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 86' ' ' THR . . . . . . . . . . . . . 12.2 p -97.91 118.46 63.86 Favored Pre-proline 0 C--N 1.322 -0.628 0 CA-C-N 115.986 -0.552 . . . . 0.0 111.588 -178.075 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 87' ' ' PRO . . . . . . . . . . . . . 21.4 Cg_exo -67.05 -34.01 30.14 Favored 'Trans proline' 0 C--N 1.345 0.376 0 C-N-CA 122.606 2.204 . . . . 0.0 110.188 170.362 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 88' ' ' GLU . . . . . . . . . . . . . 37.3 mt-10 -97.52 93.02 6.21 Favored 'General case' 0 N--CA 1.448 -0.542 0 CA-C-N 115.027 -0.988 . . . . 0.0 109.151 174.838 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 89' ' ' ASP . . . . . . . . . . . . . 5.0 p-10 -102.25 -6.46 23.13 Favored 'General case' 0 C--N 1.325 -0.474 0 CA-C-N 116.316 -0.402 . . . . 0.0 110.717 -174.528 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 37.3 mtmm -137.86 150.15 46.89 Favored 'General case' 0 C--N 1.323 -0.573 0 CA-C-N 115.898 -0.592 . . . . 0.0 109.839 179.302 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 91' ' ' LYS . . . . . . . . . . . . . 65.7 mttm . . . . . 0 C--O 1.25 1.121 0 CA-C-O 118.755 -0.64 . . . . 0.0 110.079 179.864 . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' A' A ' 3' ' ' ARG . . . . . . . . . . . . . 32.8 tpt180 . . . . . 0 N--CA 1.453 -0.301 0 N-CA-C 109.904 -0.406 . . . . 0.0 109.904 . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 5.5 p -84.99 127.02 34.01 Favored 'General case' 0 C--N 1.323 -0.566 0 CA-C-N 115.841 -0.618 . . . . 0.0 111.69 -176.903 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 5' ' ' ILE . . . . . . . . . . . . . 2.7 pp -132.74 177.5 7.04 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.594 0 CA-C-N 115.74 -0.664 . . . . 0.0 109.656 174.051 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 6' ' ' PHE . . . . . . . . . . . . . 84.6 m-85 -111.69 103.72 12.03 Favored 'General case' 0 C--N 1.321 -0.658 0 CA-C-O 121.021 0.439 . . . . 0.0 109.871 177.34 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 7' ' ' CYS . . . . . 0.439 ' HA ' ' O ' ' A' ' 33' ' ' GLU . 49.2 t -77.24 135.05 38.44 Favored 'General case' 0 C--N 1.322 -0.599 0 CA-C-N 115.719 -0.673 . . . . 0.0 110.722 -176.946 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 4.5 p -59.17 -40.31 85.24 Favored 'General case' 0 C--N 1.325 -0.475 0 CA-C-N 116.018 -0.537 . . . . 0.0 111.611 179.376 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 9' ' ' TYR . . . . . . . . . . . . . 56.3 t80 -75.61 -16.23 60.25 Favored 'General case' 0 C--N 1.322 -0.609 0 CA-C-N 115.829 -0.623 . . . . 0.0 111.477 -174.618 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 96.6 mt -111.06 -31.15 7.21 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.679 -0.237 . . . . 0.0 111.62 -176.796 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 31.2 mm-40 64.0 23.16 13.19 Favored 'General case' 0 N--CA 1.467 0.393 0 CA-C-O 121.059 0.457 . . . . 0.0 111.216 -179.028 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 10.8 ptm180 -144.55 179.14 7.47 Favored 'General case' 0 C--N 1.325 -0.49 0 CA-C-N 115.974 -0.557 . . . . 0.0 110.169 178.408 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 6.2 p-10 -59.87 133.44 56.1 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-N 115.761 -0.654 . . . . 0.0 110.18 174.959 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 14' ' ' ALA . . . . . 0.425 ' HB1' ' HB2' ' A' ' 35' ' ' SER . . . -145.38 167.24 23.38 Favored 'General case' 0 C--N 1.319 -0.719 0 CA-C-N 115.591 -0.731 . . . . 0.0 110.369 -179.186 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 38.3 tt0 -90.99 128.55 36.86 Favored 'General case' 0 C--N 1.323 -0.575 0 N-CA-C 109.672 -0.492 . . . . 0.0 109.672 -179.396 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . -60.84 153.4 37.77 Favored Glycine 0 N--CA 1.449 -0.466 0 C-N-CA 121.131 -0.557 . . . . 0.0 112.78 -179.282 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 17' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -66.27 171.3 4.9 Favored 'General case' 0 C--N 1.327 -0.376 0 C-N-CA 122.331 0.252 . . . . 0.0 110.95 179.254 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 28.8 m-20 -71.66 -87.57 0.02 OUTLIER 'General case' 0 N--CA 1.464 0.259 0 N-CA-C 112.358 0.503 . . . . 0.0 112.358 -174.143 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 36.9 p90 -163.19 -174.88 4.02 Favored 'General case' 0 C--O 1.237 0.442 0 CA-C-N 116.346 -0.388 . . . . 0.0 110.507 -175.69 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 72.9 mm-40 -74.36 98.5 3.27 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-O 121.353 0.597 . . . . 0.0 110.463 -179.268 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -104.03 5.15 35.15 Favored 'General case' 0 C--N 1.319 -0.749 0 CA-C-N 115.411 -0.813 . . . . 0.0 110.796 -178.948 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 22' ' ' TYR . . . . . 0.499 ' HB3' ' HD3' ' A' ' 23' ' ' PRO . 64.9 t80 -176.0 -49.57 0.0 OUTLIER Pre-proline 0 CA--C 1.534 0.343 0 CA-C-N 115.697 -0.683 . . . . 0.0 110.866 177.525 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 23' ' ' PRO . . . . . 0.499 ' HD3' ' HB3' ' A' ' 22' ' ' TYR . 4.6 Cg_exo -80.15 -171.45 1.25 Allowed 'Trans proline' 0 C--N 1.355 0.873 0 C-N-CA 122.055 1.837 . . . . 0.0 111.883 178.754 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 24' ' ' GLY . . . . . 0.402 ' O ' ' HG2' ' A' ' 28' ' ' LYS . . . -144.84 -83.93 0.06 OUTLIER Glycine 0 N--CA 1.445 -0.755 0 C-N-CA 120.872 -0.68 . . . . 0.0 111.799 177.859 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 18.1 mm-40 -71.69 -48.62 46.16 Favored 'General case' 0 C--N 1.324 -0.512 0 N-CA-C 110.215 -0.291 . . . . 0.0 110.215 -178.647 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 93.8 mt -62.34 -37.12 84.41 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 115.95 -0.568 . . . . 0.0 110.212 176.187 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . -55.46 -60.28 9.09 Favored Glycine 0 N--CA 1.448 -0.538 0 CA-C-N 115.503 -0.771 . . . . 0.0 112.501 -178.986 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 28' ' ' LYS . . . . . 0.402 ' HG2' ' O ' ' A' ' 24' ' ' GLY . 18.4 pttp -68.18 -30.07 69.09 Favored 'General case' 0 C--N 1.326 -0.454 0 C-N-CA 120.748 -0.381 . . . . 0.0 111.748 -176.157 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 37.0 ttp180 -65.58 -28.22 68.99 Favored 'General case' 0 C--N 1.331 -0.213 0 CA-C-O 120.791 0.329 . . . . 0.0 110.598 178.695 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 30' ' ' ILE . . . . . . . . . . . . . 92.8 mt -91.25 -39.26 11.56 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.528 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.815 178.354 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 31' ' ' TYR . . . . . . . . . . . . . 20.2 m-30 -55.54 -33.97 64.3 Favored 'General case' 0 N--CA 1.467 0.419 0 N-CA-C 112.63 0.604 . . . . 0.0 112.63 -177.49 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 32' ' ' ASN . . . . . . . . . . . . . 9.9 p30 -79.29 -11.77 59.94 Favored 'General case' 0 C--N 1.327 -0.373 0 C-N-CA 120.191 -0.604 . . . . 0.0 111.589 -176.992 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 33' ' ' GLU . . . . . 0.439 ' O ' ' HA ' ' A' ' 7' ' ' CYS . 8.3 mm-40 -112.43 -14.33 13.28 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 121.062 0.458 . . . . 0.0 110.736 -179.391 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 34' ' ' ILE . . . . . 0.423 HD13 ' HA ' ' A' ' 34' ' ' ILE . 24.4 mm -123.32 125.39 71.72 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.508 0 CA-C-O 121.441 0.638 . . . . 0.0 112.141 -172.89 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 35' ' ' SER . . . . . 0.425 ' HB2' ' HB1' ' A' ' 14' ' ' ALA . 44.3 t -80.63 161.78 24.53 Favored 'General case' 0 N--CA 1.449 -0.524 0 CA-C-N 114.989 -1.005 . . . . 0.0 110.138 175.713 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 39.7 mttm -52.54 -33.0 43.47 Favored 'General case' 0 C--N 1.325 -0.5 0 CA-C-N 115.7 -0.682 . . . . 0.0 110.709 174.299 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 12.4 t0 -59.22 -60.3 4.07 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 115.387 -0.824 . . . . 0.0 110.498 179.645 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -64.62 -35.16 80.1 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 115.822 -0.626 . . . . 0.0 111.361 -177.519 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 39' ' ' TRP . . . . . . . . . . . . . 66.0 t-105 -58.63 -45.24 89.68 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 115.782 -0.644 . . . . 0.0 109.977 177.505 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -69.34 -42.81 74.81 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 115.804 -0.634 . . . . 0.0 110.94 178.955 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 30.5 mm-40 -52.78 -54.63 31.35 Favored 'General case' 0 C--O 1.235 0.307 0 CA-C-N 116.133 -0.485 . . . . 0.0 111.447 179.894 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 42' ' ' TRP . . . . . . . . . . . . . 37.1 t-105 -67.55 -46.83 71.6 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 116.27 -0.423 . . . . 0.0 111.98 -174.713 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 43' ' ' GLN . . . . . . . . . . . . . 71.5 mt-30 -61.67 -27.83 68.96 Favored 'General case' 0 C--N 1.326 -0.451 0 C-N-CA 120.792 -0.363 . . . . 0.0 111.443 -176.789 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 44' ' ' HIS . . . . . . . . . . . . . 64.0 m170 -70.46 -46.54 63.6 Favored 'General case' 0 C--N 1.325 -0.459 0 CA-C-O 120.994 0.426 . . . . 0.0 109.875 175.342 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 45' ' ' LYS . . . . . 0.548 ' O ' ' HG ' ' A' ' 49' ' ' LEU . 4.2 tppp? -63.96 -45.98 86.7 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 115.637 -0.71 . . . . 0.0 111.398 -178.567 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 46' ' ' GLN . . . . . 0.484 ' O ' HG13 ' A' ' 50' ' ' ILE . 6.7 tp-100 -65.49 -40.74 93.41 Favored 'General case' 0 C--N 1.327 -0.386 0 C-N-CA 121.104 -0.238 . . . . 0.0 110.974 -178.099 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 88.3 m -56.62 -43.01 79.78 Favored 'General case' 0 C--O 1.235 0.327 0 CA-C-O 120.848 0.356 . . . . 0.0 110.044 176.102 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 48' ' ' MET . . . . . . . . . . . . . 15.2 tpt -61.35 -44.54 97.0 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 115.86 -0.609 . . . . 0.0 110.379 175.264 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 49' ' ' LEU . . . . . 0.548 ' HG ' ' O ' ' A' ' 45' ' ' LYS . 85.4 mt -61.38 -41.7 97.53 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.039 -179.558 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 50' ' ' ILE . . . . . 0.484 HG13 ' O ' ' A' ' 46' ' ' GLN . 77.8 mt -61.75 -33.65 58.63 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-O 120.767 0.318 . . . . 0.0 110.832 179.107 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 51' ' ' ASN . . . . . . . . . . . . . 87.8 m-20 -70.53 -29.52 66.03 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-O 120.901 0.381 . . . . 0.0 110.582 178.389 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 13.1 mm-40 -82.75 -46.12 13.55 Favored 'General case' 0 C--N 1.325 -0.485 0 CA-C-N 116.119 -0.491 . . . . 0.0 111.095 179.263 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 93.5 mttt -74.03 -27.73 61.08 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 115.646 -0.707 . . . . 0.0 111.248 -176.678 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 27.2 mtpp 63.27 30.41 15.74 Favored 'General case' 0 N--CA 1.467 0.412 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.767 179.937 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 4.1 pp -85.46 158.2 20.26 Favored 'General case' 0 C--N 1.325 -0.482 0 CA-C-O 121.073 0.463 . . . . 0.0 111.882 -173.313 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 56' ' ' ASN . . . . . . . . . . . . . 9.7 p30 -116.13 150.11 37.92 Favored 'General case' 0 C--N 1.324 -0.538 0 CA-C-N 115.55 -0.75 . . . . 0.0 109.189 175.205 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 57' ' ' MET . . . . . . . . . . . . . 26.3 mmt -89.11 15.77 8.24 Favored 'General case' 0 C--N 1.323 -0.562 0 N-CA-C 111.979 0.362 . . . . 0.0 111.979 -175.764 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 58' ' ' MET . . . . . . . . . . . . . 55.6 mtm -94.7 -2.92 50.28 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-O 121.04 0.448 . . . . 0.0 110.559 179.589 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 59' ' ' ASN . . . . . . . . . . . . . 14.8 m120 -116.24 132.7 56.59 Favored 'General case' 0 C--N 1.323 -0.577 0 CA-C-N 116.359 -0.382 . . . . 0.0 110.166 -179.095 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -57.43 -33.14 67.59 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.078 -0.51 . . . . 0.0 111.036 -179.153 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 30.2 mt-10 -52.41 -57.35 10.11 Favored 'General case' 0 C--O 1.235 0.34 0 CA-C-O 121.712 0.768 . . . . 0.0 110.547 176.712 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 62' ' ' HIS . . . . . . . . . . . . . 67.4 m-70 -80.55 -24.09 39.51 Favored 'General case' 0 C--N 1.322 -0.629 0 CA-C-N 115.185 -0.916 . . . . 0.0 110.521 -173.73 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 63' ' ' ARG . . . . . . . . . . . . . 20.9 tpt180 -69.92 -42.2 73.62 Favored 'General case' 0 C--N 1.325 -0.457 0 CA-C-N 115.932 -0.577 . . . . 0.0 110.207 178.548 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 12.5 pttp -74.08 -22.59 59.45 Favored 'General case' 0 N--CA 1.455 -0.199 0 C-N-CA 120.659 -0.416 . . . . 0.0 110.044 179.476 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -57.88 -53.92 52.8 Favored 'General case' 0 CA--C 1.519 -0.214 0 CA-C-O 120.893 0.378 . . . . 0.0 110.1 171.749 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 55.0 tp -53.83 -46.61 71.23 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 115.368 -0.833 . . . . 0.0 110.622 178.389 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 31.9 tt0 -60.89 -51.48 69.13 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 115.866 -0.606 . . . . 0.0 111.021 -178.422 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 68' ' ' GLN . . . . . . . . . . . . . 42.9 mt-30 -52.17 -58.71 5.78 Favored 'General case' 0 C--O 1.234 0.259 0 CA-C-O 121.062 0.458 . . . . 0.0 111.316 179.042 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 42.1 mt-10 -63.72 -41.97 98.0 Favored 'General case' 0 C--N 1.325 -0.474 0 CA-C-N 115.433 -0.803 . . . . 0.0 111.372 -174.393 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 70' ' ' MET . . . . . . . . . . . . . 28.1 ttt -62.31 -49.83 74.07 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.483 -0.326 . . . . 0.0 111.188 -177.419 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 71' ' ' VAL . . . . . . . . . . . . . 60.6 t -65.96 -39.95 86.03 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.379 0 CA-C-N 116.469 -0.332 . . . . 0.0 110.718 -179.592 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 72' ' ' SER . . . . . 0.527 ' O ' ' HA ' ' A' ' 76' ' ' GLU . 23.3 t -67.1 -36.12 81.26 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-N 116.633 -0.258 . . . . 0.0 111.545 -177.137 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 73' ' ' PHE . . . . . . . . . . . . . 56.9 t80 -80.84 -46.82 14.73 Favored 'General case' 0 C--N 1.323 -0.575 0 CA-C-O 120.577 0.227 . . . . 0.0 111.193 -177.088 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 74' ' ' LEU . . . . . . . . . . . . . 96.4 mt -83.45 -52.57 6.4 Favored 'General case' 0 C--N 1.33 -0.28 0 N-CA-C 112.061 0.393 . . . . 0.0 112.061 -174.557 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 75' ' ' PHE . . . . . . . . . . . . . 48.1 t80 -87.71 -27.71 22.23 Favored 'General case' 0 C--N 1.323 -0.562 0 CA-C-O 120.661 0.267 . . . . 0.0 110.557 -175.228 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 76' ' ' GLU . . . . . 0.527 ' HA ' ' O ' ' A' ' 72' ' ' SER . 58.7 mt-10 72.85 -56.55 0.66 Allowed 'General case' 0 N--CA 1.468 0.442 0 C-N-CA 123.887 0.875 . . . . 0.0 112.148 176.808 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . -78.59 70.18 2.71 Favored Glycine 0 N--CA 1.452 -0.245 0 C-N-CA 121.396 -0.43 . . . . 0.0 113.057 -175.985 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -92.5 170.23 9.92 Favored 'General case' 0 C--N 1.324 -0.53 0 CA-C-O 120.757 0.313 . . . . 0.0 110.98 176.932 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 79' ' ' ASP . . . . . . . . . . . . . 16.8 t70 -113.87 -5.79 13.23 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-O 121.454 0.645 . . . . 0.0 110.215 179.808 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 80' ' ' VAL . . . . . . . . . . . . . 75.2 t . . . . . 0 C--N 1.325 -0.484 0 CA-C-N 115.658 -0.701 . . . . 0.0 111.081 -177.939 . . . . . . . . 0 0 . 1 . 002 nuclear nobuild core ' A' A ' 3' ' ' ARG . . . . . . . . . . . . . 54.7 ttp180 . . . . . 0 N--CA 1.452 -0.33 0 N-CA-C 109.632 -0.507 . . . . 0.0 109.632 . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild core ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 56.7 m -80.7 117.42 21.36 Favored 'General case' 0 C--N 1.323 -0.568 0 CA-C-N 115.924 -0.58 . . . . 0.0 110.865 -177.637 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 5' ' ' ILE . . . . . 0.522 ' O ' ' HA ' ' A' ' 13' ' ' ASP . 2.7 pp -127.52 173.42 12.92 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.71 0 CA-C-N 115.771 -0.65 . . . . 0.0 110.428 -177.973 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 6' ' ' PHE . . . . . . . . . . . . . 99.4 m-85 -98.11 102.85 14.71 Favored 'General case' 0 C--N 1.323 -0.584 0 N-CA-C 109.431 -0.581 . . . . 0.0 109.431 174.915 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 7' ' ' CYS . . . . . 0.414 ' SG ' ' HA ' ' A' ' 34' ' ' ILE . 53.0 t -71.83 138.51 48.35 Favored 'General case' 0 C--N 1.321 -0.638 0 CA-C-N 115.907 -0.588 . . . . 0.0 110.501 -176.754 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 2.4 p -62.47 -41.38 98.74 Favored 'General case' 0 C--N 1.325 -0.487 0 N-CA-C 111.858 0.318 . . . . 0.0 111.858 -178.633 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 9' ' ' TYR . . . . . . . . . . . . . 75.4 t80 -71.19 -27.32 63.42 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-O 120.631 0.253 . . . . 0.0 111.457 -176.181 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 7.3 mp -100.61 -25.66 14.09 Favored 'General case' 0 C--N 1.325 -0.463 0 C-N-CA 121.056 -0.258 . . . . 0.0 111.363 -178.712 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 33.3 mm-40 66.19 9.71 6.53 Favored 'General case' 0 N--CA 1.468 0.453 0 C-N-CA 123.166 0.586 . . . . 0.0 110.978 -176.309 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 56.7 mtt180 -132.07 -176.93 4.23 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 115.969 -0.56 . . . . 0.0 109.871 -177.077 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 13' ' ' ASP . . . . . 0.522 ' HA ' ' O ' ' A' ' 5' ' ' ILE . 9.3 p-10 -78.32 134.57 37.47 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-O 121.592 0.71 . . . . 0.0 111.452 -176.591 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -152.53 179.98 8.1 Favored 'General case' 0 C--N 1.322 -0.615 0 CA-C-N 114.8 -1.091 . . . . 0.0 109.777 179.995 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 15' ' ' GLU . . . . . 0.558 ' O ' ' HA ' ' A' ' 35' ' ' SER . 10.7 tp10 -80.06 129.58 34.6 Favored 'General case' 0 C--N 1.324 -0.512 0 N-CA-C 109.522 -0.548 . . . . 0.0 109.522 179.431 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . -81.28 43.45 2.89 Favored Glycine 0 N--CA 1.452 -0.26 0 C-N-CA 121.258 -0.496 . . . . 0.0 113.794 -174.926 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 17' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER 42.67 65.98 0.84 Allowed 'General case' 0 C--O 1.237 0.415 0 C-N-CA 123.386 0.675 . . . . 0.0 112.331 175.315 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 6.8 p-10 -67.26 119.81 12.76 Favored 'General case' 0 C--N 1.323 -0.555 0 CA-C-O 120.73 0.3 . . . . 0.0 110.605 177.736 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -174.42 -73.7 0.01 OUTLIER 'General case' 0 C--N 1.332 -0.193 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.339 179.484 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 14.5 mm-40 62.11 84.57 0.14 Allowed 'General case' 0 N--CA 1.467 0.403 0 O-C-N 123.581 0.55 . . . . 0.0 110.295 -172.176 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 21' ' ' LEU . . . . . 0.421 ' N ' HD12 ' A' ' 21' ' ' LEU . 3.6 mp -93.69 -74.71 0.52 Allowed 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 115.487 -0.778 . . . . 0.0 110.797 -173.563 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 22' ' ' TYR . . . . . 0.48 ' HB2' ' HD3' ' A' ' 23' ' ' PRO . 27.2 m-85 -113.65 -50.96 0.05 OUTLIER Pre-proline 0 C--N 1.327 -0.399 0 CA-C-N 115.945 -0.57 . . . . 0.0 111.427 -178.329 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 23' ' ' PRO . . . . . 0.48 ' HD3' ' HB2' ' A' ' 22' ' ' TYR . 6.0 Cg_exo -77.63 131.87 11.7 Favored 'Trans proline' 0 C--N 1.359 1.092 0 C-N-CA 121.947 1.765 . . . . 0.0 111.815 -179.107 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 24' ' ' GLY . . . . . 0.418 ' O ' ' HG2' ' A' ' 28' ' ' LYS . . . -91.73 -90.18 1.43 Allowed Glycine 0 N--CA 1.448 -0.539 0 C-N-CA 120.822 -0.704 . . . . 0.0 112.226 -177.733 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 25' ' ' GLU . . . . . 0.43 ' HA ' ' HE2' ' A' ' 28' ' ' LYS . 48.0 mt-10 -60.46 -48.0 83.67 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-O 120.409 0.147 . . . . 0.0 110.994 -178.682 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 64.3 tp -65.49 -35.88 82.18 Favored 'General case' 0 C--N 1.326 -0.445 0 CA-C-O 121.063 0.458 . . . . 0.0 110.2 177.805 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 27' ' ' GLY . . . . . 0.431 ' CA ' ' HB2' ' A' ' 23' ' ' PRO . . . -61.77 -54.54 34.64 Favored Glycine 0 N--CA 1.45 -0.408 0 CA-C-N 115.681 -0.69 . . . . 0.0 111.978 -179.71 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 28' ' ' LYS . . . . . 0.43 ' HE2' ' HA ' ' A' ' 25' ' ' GLU . 57.9 pttt -71.43 -21.94 61.91 Favored 'General case' 0 C--N 1.327 -0.374 0 C-N-CA 120.874 -0.33 . . . . 0.0 110.935 -179.222 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 79.3 ttt180 -63.31 -31.98 73.28 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-O 121.042 0.449 . . . . 0.0 110.192 175.063 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 30' ' ' ILE . . . . . . . . . . . . . 73.5 mt -86.28 -47.11 16.54 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 CA-C-N 116.0 -0.545 . . . . 0.0 110.613 176.656 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 31' ' ' TYR . . . . . . . . . . . . . 21.9 m-85 -68.04 -19.83 64.93 Favored 'General case' 0 N--CA 1.464 0.229 0 N-CA-C 112.542 0.571 . . . . 0.0 112.542 -173.851 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 32' ' ' ASN . . . . . . . . . . . . . 35.8 p30 -69.72 -15.92 63.24 Favored 'General case' 0 C--N 1.327 -0.397 0 O-C-N 122.221 -0.299 . . . . 0.0 111.599 -177.39 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 33' ' ' GLU . . . . . 0.406 ' O ' ' HA ' ' A' ' 7' ' ' CYS . 39.9 mt-10 -137.73 22.91 2.89 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-O 120.836 0.351 . . . . 0.0 110.932 177.12 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 34' ' ' ILE . . . . . 0.414 ' HA ' ' SG ' ' A' ' 7' ' ' CYS . 17.2 mm -130.8 124.1 55.81 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 CA-C-O 121.042 0.448 . . . . 0.0 110.993 178.576 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 35' ' ' SER . . . . . 0.558 ' HA ' ' O ' ' A' ' 15' ' ' GLU . 26.9 p -80.66 161.27 24.74 Favored 'General case' 0 N--CA 1.449 -0.507 0 CA-C-N 115.548 -0.751 . . . . 0.0 110.889 178.271 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 95.9 mttt -62.83 -30.58 71.6 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-N 115.907 -0.588 . . . . 0.0 109.805 176.542 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 13.9 m-20 -63.53 -52.75 59.81 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 115.688 -0.687 . . . . 0.0 110.036 177.451 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -62.95 -44.04 97.14 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 115.897 -0.592 . . . . 0.0 110.842 -179.409 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 39' ' ' TRP . . . . . . . . . . . . . 68.0 t-105 -60.82 -53.44 57.37 Favored 'General case' 0 C--N 1.331 -0.216 0 CA-C-N 116.079 -0.509 . . . . 0.0 110.957 -179.936 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -62.31 -44.76 95.76 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.258 -0.428 . . . . 0.0 111.167 -177.252 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 14.4 mm100 -64.9 -37.88 89.11 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 116.633 -0.258 . . . . 0.0 111.421 -179.066 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 42' ' ' TRP . . . . . 0.455 ' CZ2' ' HB3' ' A' ' 69' ' ' GLU . 24.2 t-105 -65.09 -49.74 68.83 Favored 'General case' 0 C--N 1.33 -0.27 0 C-N-CA 120.668 -0.413 . . . . 0.0 110.713 177.113 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 43' ' ' GLN . . . . . . . . . . . . . 29.3 mm-40 -60.92 -40.11 91.95 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-O 121.064 0.459 . . . . 0.0 110.247 -179.811 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 44' ' ' HIS . . . . . . . . . . . . . 10.1 t60 -63.97 -46.86 82.78 Favored 'General case' 0 C--N 1.324 -0.519 0 CA-C-N 115.701 -0.681 . . . . 0.0 110.367 178.591 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 24.8 tptp -61.13 -44.88 96.65 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 115.686 -0.688 . . . . 0.0 110.473 178.977 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 46' ' ' GLN . . . . . 0.447 ' O ' HG13 ' A' ' 50' ' ' ILE . 25.0 tp60 -60.68 -38.92 86.55 Favored 'General case' 0 C--N 1.325 -0.464 0 CA-C-N 115.798 -0.637 . . . . 0.0 110.494 178.673 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 64.1 m -58.68 -44.12 90.17 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.856 178.52 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 48' ' ' MET . . . . . . . . . . . . . 25.9 ttt -63.06 -44.35 96.07 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 121.002 0.43 . . . . 0.0 110.524 178.785 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 8.8 mp -61.93 -37.15 83.62 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 115.935 -0.575 . . . . 0.0 111.52 -179.058 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 50' ' ' ILE . . . . . 0.447 HG13 ' O ' ' A' ' 46' ' ' GLN . 84.6 mt -61.7 -41.6 91.08 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.346 0 CA-C-N 116.292 -0.413 . . . . 0.0 110.4 176.725 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 51' ' ' ASN . . . . . . . . . . . . . 27.7 m-80 -68.62 -41.04 80.05 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.016 -0.538 . . . . 0.0 110.738 178.959 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 51.4 mm-40 -68.02 -50.1 57.45 Favored 'General case' 0 C--N 1.325 -0.465 0 CA-C-N 115.943 -0.571 . . . . 0.0 112.055 -177.954 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 50.1 mtmt -88.54 0.02 56.76 Favored 'General case' 0 C--N 1.325 -0.459 0 C-N-CA 121.13 -0.228 . . . . 0.0 111.461 -174.408 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 13.8 mptt 58.3 69.34 0.74 Allowed 'General case' 0 C--O 1.234 0.243 0 CA-C-O 121.344 0.592 . . . . 0.0 111.358 178.373 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 55' ' ' LEU . . . . . 0.427 HD22 ' CE1' ' A' ' 62' ' ' HIS . 20.0 mt -110.15 148.18 32.27 Favored 'General case' 0 C--N 1.322 -0.613 0 CA-C-N 115.796 -0.638 . . . . 0.0 109.779 178.491 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 56' ' ' ASN . . . . . . . . . . . . . 59.9 t30 -112.37 119.08 37.05 Favored 'General case' 0 C--N 1.323 -0.58 0 N-CA-C 109.059 -0.719 . . . . 0.0 109.059 171.954 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 57' ' ' MET . . . . . . . . . . . . . 0.7 OUTLIER -84.62 65.23 8.93 Favored 'General case' 0 C--N 1.323 -0.579 0 CA-C-O 121.408 0.623 . . . . 0.0 111.979 -169.127 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 58' ' ' MET . . . . . . . . . . . . . 24.8 ptt? -133.67 -27.44 1.51 Allowed 'General case' 0 C--N 1.323 -0.566 0 CA-C-N 115.386 -0.824 . . . . 0.0 110.119 173.93 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 59' ' ' ASN . . . . . . . . . . . . . 2.1 m-20 -74.81 141.23 44.34 Favored 'General case' 0 C--O 1.236 0.35 0 CA-C-N 116.274 -0.421 . . . . 0.0 110.705 -178.062 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -63.2 -25.56 68.39 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.582 178.764 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 6.3 mm-40 -61.65 -38.4 87.56 Favored 'General case' 0 C--N 1.325 -0.461 0 CA-C-N 115.865 -0.607 . . . . 0.0 110.908 177.815 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 62' ' ' HIS . . . . . 0.427 ' CE1' HD22 ' A' ' 55' ' ' LEU . 95.6 m-70 -84.32 -19.19 34.13 Favored 'General case' 0 C--N 1.324 -0.507 0 C-N-CA 120.494 -0.483 . . . . 0.0 109.881 178.302 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 63' ' ' ARG . . . . . . . . . . . . . 33.5 mmt180 -69.84 -47.46 62.61 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.381 174.892 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -66.63 -35.27 79.77 Favored 'General case' 0 C--O 1.224 -0.271 0 C-N-CA 120.997 -0.281 . . . . 0.0 110.28 177.866 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 1.3 mm? -63.07 -47.57 82.38 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-O 120.902 0.382 . . . . 0.0 110.241 175.536 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 62.2 tp -59.68 -41.19 90.12 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 115.852 -0.613 . . . . 0.0 110.432 176.721 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 67' ' ' GLU . . . . . 0.422 ' O ' HG23 ' A' ' 71' ' ' VAL . 32.4 tt0 -63.99 -52.19 60.74 Favored 'General case' 0 C--N 1.324 -0.538 0 CA-C-N 115.863 -0.608 . . . . 0.0 110.64 -179.571 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 68' ' ' GLN . . . . . . . . . . . . . 55.7 mt-30 -57.51 -50.44 73.06 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.943 178.462 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 69' ' ' GLU . . . . . 0.455 ' HB3' ' CZ2' ' A' ' 42' ' ' TRP . 8.0 mm-40 -62.23 -39.7 93.69 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-N 115.995 -0.548 . . . . 0.0 111.498 -179.643 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 70' ' ' MET . . . . . . . . . . . . . 57.0 ttp -64.25 -47.3 80.14 Favored 'General case' 0 C--N 1.324 -0.536 0 CA-C-O 120.863 0.363 . . . . 0.0 110.845 179.882 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 71' ' ' VAL . . . . . 0.422 HG23 ' O ' ' A' ' 67' ' ' GLU . 47.1 t -73.59 -12.34 15.35 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.442 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.788 -178.907 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 8.0 t -94.14 -50.48 5.27 Favored 'General case' 0 C--N 1.325 -0.459 0 CA-C-O 120.85 0.357 . . . . 0.0 110.97 178.832 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 73' ' ' PHE . . . . . . . . . . . . . 70.9 t80 -70.04 -49.24 53.25 Favored 'General case' 0 C--N 1.323 -0.572 0 CA-C-O 120.953 0.406 . . . . 0.0 111.313 -176.303 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 74' ' ' LEU . . . . . 0.412 ' HB3' ' CD1' ' A' ' 34' ' ' ILE . 77.2 mt -78.31 -55.13 5.48 Favored 'General case' 0 C--N 1.323 -0.548 0 N-CA-C 112.138 0.421 . . . . 0.0 112.138 -173.489 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 75' ' ' PHE . . . . . . . . . . . . . 52.1 t80 -98.33 -40.47 8.3 Favored 'General case' 0 C--N 1.321 -0.638 0 CA-C-O 120.907 0.384 . . . . 0.0 111.023 -174.555 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 6.4 tp10 56.73 67.9 0.93 Allowed 'General case' 0 C--N 1.326 -0.45 0 CA-C-N 115.091 -0.959 . . . . 0.0 110.874 -174.064 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . -146.62 31.36 1.51 Allowed Glycine 0 N--CA 1.445 -0.766 0 CA-C-N 114.906 -1.043 . . . . 0.0 110.829 177.172 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 78' ' ' LYS . . . . . 0.436 ' HD2' ' O ' ' A' ' 78' ' ' LYS . 2.8 pptp? -94.23 144.36 25.58 Favored 'General case' 0 C--N 1.325 -0.497 0 CA-C-N 115.394 -0.403 . . . . 0.0 111.425 -175.112 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 79' ' ' ASP . . . . . . . . . . . . . 22.3 t70 -100.92 -26.09 13.86 Favored 'General case' 0 C--N 1.322 -0.598 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.316 174.969 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 80' ' ' VAL . . . . . . . . . . . . . 16.9 t . . . . . 0 C--N 1.329 -0.288 0 CA-C-N 115.74 -0.664 . . . . 0.0 110.587 -176.817 . . . . . . . . 0 0 . 1 . 003 nuclear nobuild core ' A' A ' 3' ' ' ARG . . . . . . . . . . . . . 75.5 ttt180 . . . . . 0 N--CA 1.453 -0.284 0 N-CA-C 109.467 -0.568 . . . . 0.0 109.467 . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild core ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 11.5 p -76.36 124.07 26.94 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.313 -178.167 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 5' ' ' ILE . . . . . . . . . . . . . 2.7 pp -136.29 178.26 5.25 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.569 0 CA-C-N 115.856 -0.611 . . . . 0.0 110.401 179.828 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 6' ' ' PHE . . . . . . . . . . . . . 95.1 m-85 -112.96 101.87 9.89 Favored 'General case' 0 C--N 1.321 -0.661 0 N-CA-C 109.672 -0.492 . . . . 0.0 109.672 175.83 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 7' ' ' CYS . . . . . 0.546 ' HA ' ' O ' ' A' ' 33' ' ' GLU . 49.8 t -70.49 123.17 21.16 Favored 'General case' 0 C--N 1.323 -0.569 0 N-CA-C 109.902 -0.407 . . . . 0.0 109.902 179.954 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 11.4 p -66.66 -32.11 73.21 Favored 'General case' 0 C--N 1.322 -0.605 0 CA-C-N 116.291 -0.413 . . . . 0.0 111.968 -176.351 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 9' ' ' TYR . . . . . . . . . . . . . 89.2 t80 -65.12 -30.97 71.95 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-O 121.173 0.511 . . . . 0.0 110.61 177.263 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 85.1 mt -98.35 -29.23 13.27 Favored 'General case' 0 C--N 1.324 -0.532 0 CA-C-N 116.165 -0.47 . . . . 0.0 111.248 -176.86 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 84.4 mm-40 62.07 28.43 17.17 Favored 'General case' 0 N--CA 1.465 0.321 0 CA-C-O 121.453 0.644 . . . . 0.0 109.905 -174.923 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 20.7 mtp180 -139.42 174.14 10.82 Favored 'General case' 0 C--N 1.325 -0.498 0 CA-C-N 115.219 -0.9 . . . . 0.0 110.595 -174.273 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 18.2 t70 -68.04 127.66 33.7 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 115.983 -0.553 . . . . 0.0 109.622 175.019 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -143.78 172.42 12.86 Favored 'General case' 0 C--N 1.322 -0.626 0 CA-C-O 121.128 0.489 . . . . 0.0 111.268 -177.315 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 45.3 tt0 -100.25 132.1 45.81 Favored 'General case' 0 C--N 1.321 -0.645 0 CA-C-N 115.589 -0.732 . . . . 0.0 109.677 -179.042 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . -58.42 146.0 41.27 Favored Glycine 0 N--CA 1.448 -0.538 0 C-N-CA 120.975 -0.631 . . . . 0.0 111.618 176.002 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 17' ' ' GLN . . . . . . . . . . . . . 29.0 mt-30 -65.61 -88.36 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.447 0 CA-C-O 121.533 0.682 . . . . 0.0 111.868 -177.053 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 24.8 m-20 -142.3 -167.34 2.46 Favored 'General case' 0 C--N 1.32 -0.69 0 CA-C-N 115.405 -0.816 . . . . 0.0 109.782 -173.223 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 93.5 m-85 -107.96 177.15 4.9 Favored 'General case' 0 C--N 1.316 -0.874 0 CA-C-N 115.863 -0.608 . . . . 0.0 109.541 178.739 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 45.0 mt-30 -78.06 91.61 4.29 Favored 'General case' 0 C--N 1.322 -0.627 0 CA-C-O 120.999 0.428 . . . . 0.0 111.47 -176.765 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -98.0 -10.41 24.47 Favored 'General case' 0 C--N 1.323 -0.549 0 CA-C-N 115.753 -0.658 . . . . 0.0 111.165 178.816 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 22' ' ' TYR . . . . . 0.543 ' HB3' ' HD3' ' A' ' 23' ' ' PRO . 87.8 t80 -162.85 -53.15 0.01 OUTLIER Pre-proline 0 CA--C 1.539 0.528 0 N-CA-C 112.101 0.408 . . . . 0.0 112.101 177.101 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 23' ' ' PRO . . . . . 0.637 ' HB2' ' HA3' ' A' ' 27' ' ' GLY . 27.9 Cg_exo -65.07 148.66 89.51 Favored 'Trans proline' 0 C--N 1.354 0.828 0 C-N-CA 122.151 1.901 . . . . 0.0 112.783 -178.1 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -98.83 -109.42 2.93 Favored Glycine 0 CA--C 1.52 0.349 0 CA-C-N 116.178 -0.464 . . . . 0.0 113.266 -173.627 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 13.9 mm-40 -72.83 -43.14 63.04 Favored 'General case' 0 CA--C 1.517 -0.316 0 CA-C-O 120.837 0.351 . . . . 0.0 110.643 -175.975 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 26' ' ' LEU . . . . . 0.437 ' O ' HG13 ' A' ' 30' ' ' ILE . 51.1 tp -63.36 -34.4 77.64 Favored 'General case' 0 C--N 1.323 -0.574 0 N-CA-C 109.264 -0.643 . . . . 0.0 109.264 175.548 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 27' ' ' GLY . . . . . 0.637 ' HA3' ' HB2' ' A' ' 23' ' ' PRO . . . -59.2 -62.14 6.53 Favored Glycine 0 N--CA 1.446 -0.682 0 CA-C-N 115.195 -0.912 . . . . 0.0 112.79 179.012 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 7.0 ptpp? -57.16 -37.06 71.53 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-O 120.56 0.219 . . . . 0.0 111.038 -177.954 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 77.5 ttt180 -59.21 -45.14 91.89 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.895 0.379 . . . . 0.0 110.895 179.715 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 30' ' ' ILE . . . . . 0.437 HG13 ' O ' ' A' ' 26' ' ' LEU . 73.2 mt -72.23 -39.09 63.97 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.42 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.756 -179.286 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 31' ' ' TYR . . . . . . . . . . . . . 20.9 m-85 -63.84 -21.36 66.41 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.608 -0.269 . . . . 0.0 111.663 -179.992 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 32' ' ' ASN . . . . . . . . . . . . . 91.0 m-20 -84.15 -43.37 15.05 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 116.392 -0.367 . . . . 0.0 111.916 -178.882 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 33' ' ' GLU . . . . . 0.546 ' O ' ' HA ' ' A' ' 7' ' ' CYS . 40.0 mt-10 -112.47 -3.48 14.43 Favored 'General case' 0 C--N 1.326 -0.44 0 N-CA-C 112.544 0.572 . . . . 0.0 112.544 -168.356 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 34' ' ' ILE . . . . . . . . . . . . . 48.3 mm -120.24 136.58 56.82 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.696 0 CA-C-O 120.992 0.425 . . . . 0.0 110.408 178.379 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 9.3 t -99.28 167.98 10.32 Favored 'General case' 0 N--CA 1.444 -0.751 0 CA-C-N 115.887 -0.597 . . . . 0.0 110.283 -179.583 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 89.2 mttt -59.55 -31.27 69.27 Favored 'General case' 0 C--N 1.325 -0.48 0 CA-C-N 115.255 -0.884 . . . . 0.0 111.967 -176.001 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 36.4 t70 -63.12 -52.57 62.03 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.474 -0.33 . . . . 0.0 110.439 -178.74 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -66.87 -37.79 85.08 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.802 179.484 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 39' ' ' TRP . . . . . . . . . . . . . 76.8 t-105 -59.93 -52.12 66.75 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 115.832 -0.622 . . . . 0.0 110.947 179.026 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -69.73 -35.58 75.13 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-N 115.874 -0.603 . . . . 0.0 110.933 -179.356 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 24.3 tt0 -63.45 -54.37 37.54 Favored 'General case' 0 C--N 1.325 -0.459 0 CA-C-N 115.954 -0.566 . . . . 0.0 110.583 179.619 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 42' ' ' TRP . . . . . . . . . . . . . 33.1 t-105 -63.35 -48.28 78.6 Favored 'General case' 0 C--N 1.331 -0.203 0 CA-C-N 116.289 -0.414 . . . . 0.0 111.534 -175.207 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 43' ' ' GLN . . . . . . . . . . . . . 30.1 mt-30 -62.76 -43.99 97.36 Favored 'General case' 0 C--N 1.329 -0.293 0 C-N-CA 120.577 -0.449 . . . . 0.0 111.388 -177.276 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 44' ' ' HIS . . . . . . . . . . . . . 8.7 t-80 -66.91 -40.28 87.63 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-O 120.847 0.355 . . . . 0.0 110.321 -178.05 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 45' ' ' LYS . . . . . 0.463 ' O ' ' HG ' ' A' ' 49' ' ' LEU . 5.2 tmtm? -65.01 -47.7 76.55 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 115.943 -0.571 . . . . 0.0 109.587 177.759 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 46' ' ' GLN . . . . . . . . . . . . . 59.0 tp60 -61.87 -36.98 82.86 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 115.678 -0.692 . . . . 0.0 111.088 -179.993 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 85.4 m -57.55 -43.17 84.21 Favored 'General case' 0 C--N 1.331 -0.205 0 CA-C-O 120.838 0.351 . . . . 0.0 110.243 176.856 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 48' ' ' MET . . . . . . . . . . . . . 43.5 ttp -67.47 -34.88 78.07 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.05 -0.523 . . . . 0.0 110.656 178.128 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 49' ' ' LEU . . . . . 0.463 ' HG ' ' O ' ' A' ' 45' ' ' LYS . 75.2 mt -64.23 -48.81 74.37 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-O 121.168 0.509 . . . . 0.0 110.102 176.695 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 50' ' ' ILE . . . . . . . . . . . . . 86.0 mt -61.79 -36.92 76.58 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.394 0 CA-C-N 115.568 -0.742 . . . . 0.0 110.54 177.849 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 51' ' ' ASN . . . . . . . . . . . . . 3.4 t-20 -62.98 -44.03 97.17 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 115.77 -0.65 . . . . 0.0 110.842 -178.251 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 24.6 mm-40 -76.3 -40.67 50.97 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.047 -0.524 . . . . 0.0 111.707 -179.227 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 47.4 mttp -72.0 -28.46 63.42 Favored 'General case' 0 C--N 1.323 -0.561 0 CA-C-N 116.41 -0.359 . . . . 0.0 110.887 -179.624 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 96.0 mttt 56.25 43.56 26.33 Favored 'General case' 0 N--CA 1.462 0.162 0 CA-C-N 115.734 -0.666 . . . . 0.0 110.167 -179.765 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 4.2 pp -90.06 162.39 15.36 Favored 'General case' 0 N--CA 1.452 -0.348 0 CA-C-N 115.476 -0.784 . . . . 0.0 110.763 -177.964 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 56' ' ' ASN . . . . . . . . . . . . . 38.1 t-20 -121.13 141.4 50.85 Favored 'General case' 0 C--N 1.323 -0.565 0 N-CA-C 109.869 -0.419 . . . . 0.0 109.869 179.363 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 57' ' ' MET . . . . . . . . . . . . . 0.8 OUTLIER -81.01 8.39 8.59 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.242 -0.435 . . . . 0.0 111.087 178.923 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 58' ' ' MET . . . . . . . . . . . . . 55.9 ttm -58.85 -38.38 78.62 Favored 'General case' 0 C--N 1.326 -0.455 0 CA-C-N 116.314 -0.403 . . . . 0.0 110.956 178.352 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 59' ' ' ASN . . . . . 0.422 ' O ' ' HG3' ' A' ' 63' ' ' ARG . 3.4 m-20 -91.35 142.57 27.55 Favored 'General case' 0 C--N 1.324 -0.508 0 CA-C-N 116.367 -0.379 . . . . 0.0 110.886 -179.48 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -67.81 -25.19 65.45 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.991 -178.554 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 14.2 mt-10 -52.95 -51.41 61.54 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 115.446 -0.797 . . . . 0.0 111.035 177.515 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 62' ' ' HIS . . . . . . . . . . . . . 93.7 m-70 -76.85 -23.06 52.7 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.681 -177.166 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 63' ' ' ARG . . . . . 0.422 ' HG3' ' O ' ' A' ' 59' ' ' ASN . 99.2 mtt180 -66.51 -51.56 55.39 Favored 'General case' 0 C--O 1.232 0.179 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.642 178.788 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 16.2 pttp -68.79 -31.75 70.98 Favored 'General case' 0 C--N 1.332 -0.167 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.363 -178.161 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 58.2 tp -62.43 -45.52 92.7 Favored 'General case' 0 C--N 1.332 -0.183 0 CA-C-N 116.332 -0.395 . . . . 0.0 110.266 178.104 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 66.6 tp -59.25 -46.09 89.43 Favored 'General case' 0 N--CA 1.454 -0.271 0 CA-C-N 115.91 -0.586 . . . . 0.0 110.332 177.801 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 44.0 tt0 -61.31 -50.08 74.43 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 115.971 -0.559 . . . . 0.0 110.816 179.394 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 68' ' ' GLN . . . . . . . . . . . . . 88.0 mt-30 -59.81 -52.45 65.39 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-N 115.883 -0.599 . . . . 0.0 111.803 -179.176 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 19.8 mt-10 -66.23 -29.41 69.65 Favored 'General case' 0 C--N 1.332 -0.16 0 C-N-CA 121.003 -0.279 . . . . 0.0 111.244 -178.895 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 70' ' ' MET . . . . . . . . . . . . . 27.0 ttt -61.27 -51.48 68.75 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-O 120.955 0.407 . . . . 0.0 110.239 177.529 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 71' ' ' VAL . . . . . . . . . . . . . 59.2 t -65.87 -35.55 75.39 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.418 0 CA-C-N 115.897 -0.592 . . . . 0.0 110.581 178.657 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 72' ' ' SER . . . . . 0.492 ' O ' ' HA ' ' A' ' 76' ' ' GLU . 32.3 t -71.68 -17.91 62.21 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-N 116.051 -0.522 . . . . 0.0 111.626 -178.237 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 73' ' ' PHE . . . . . . . . . . . . . 56.1 t80 -99.69 -46.98 5.24 Favored 'General case' 0 C--N 1.324 -0.505 0 C-N-CA 120.804 -0.358 . . . . 0.0 111.235 -179.807 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 74' ' ' LEU . . . . . . . . . . . . . 95.1 mt -72.99 -48.6 35.0 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.407 -0.361 . . . . 0.0 111.307 -177.307 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 75' ' ' PHE . . . . . . . . . . . . . 97.5 m-85 -94.02 -37.44 11.65 Favored 'General case' 0 C--N 1.326 -0.455 0 CA-C-N 116.614 -0.266 . . . . 0.0 110.549 -178.992 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 76' ' ' GLU . . . . . 0.492 ' HA ' ' O ' ' A' ' 72' ' ' SER . 38.8 mt-10 72.28 -48.04 0.67 Allowed 'General case' 0 N--CA 1.47 0.525 0 C-N-CA 123.793 0.837 . . . . 0.0 112.227 177.856 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . -77.55 63.15 3.42 Favored Glycine 0 N--CA 1.45 -0.377 0 C-N-CA 121.398 -0.429 . . . . 0.0 112.849 -177.053 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 78' ' ' LYS . . . . . 0.503 ' HD2' ' O ' ' A' ' 78' ' ' LYS . 0.0 OUTLIER -103.2 158.75 16.1 Favored 'General case' 0 C--N 1.321 -0.64 0 O-C-N 122.692 -0.299 . . . . 0.0 110.256 176.718 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 79' ' ' ASP . . . . . . . . . . . . . 5.7 p-10 -111.45 4.6 19.01 Favored 'General case' 0 C--N 1.323 -0.569 0 N-CA-C 109.346 -0.613 . . . . 0.0 109.346 173.949 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 80' ' ' VAL . . . . . . . . . . . . . 47.9 t . . . . . 0 N--CA 1.448 -0.54 0 CA-C-N 115.398 -0.819 . . . . 0.0 109.938 177.819 . . . . . . . . 0 0 . 1 . 004 nuclear nobuild core ' A' A ' 3' ' ' ARG . . . . . . . . . . . . . 8.5 tpm_? . . . . . 0 N--CA 1.452 -0.333 0 N-CA-C 109.169 -0.678 . . . . 0.0 109.169 . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild core ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 49.9 p -105.81 151.1 24.92 Favored 'General case' 0 C--N 1.321 -0.632 0 CA-C-N 115.783 -0.644 . . . . 0.0 110.944 -178.71 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 5' ' ' ILE . . . . . 0.435 HG13 ' CA ' ' A' ' 16' ' ' GLY . 2.5 pp -138.54 172.87 13.21 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.543 0 CA-C-N 115.715 -0.675 . . . . 0.0 110.288 -179.782 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 6' ' ' PHE . . . . . . . . . . . . . 96.2 m-85 -91.52 98.73 11.85 Favored 'General case' 0 C--N 1.322 -0.587 0 CA-C-O 121.124 0.488 . . . . 0.0 109.714 175.735 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 53.8 t -71.57 137.46 48.05 Favored 'General case' 0 C--N 1.324 -0.511 0 CA-C-N 115.678 -0.692 . . . . 0.0 110.437 -177.509 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 1.8 p -64.63 -46.24 83.42 Favored 'General case' 0 C--N 1.323 -0.547 0 CA-C-N 116.338 -0.392 . . . . 0.0 111.329 179.96 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 9' ' ' TYR . . . . . . . . . . . . . 74.1 t80 -70.53 -31.57 68.7 Favored 'General case' 0 C--N 1.325 -0.467 0 CA-C-N 115.781 -0.645 . . . . 0.0 111.754 -176.158 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 85.4 mt -96.87 -23.34 16.4 Favored 'General case' 0 C--N 1.326 -0.419 0 C-N-CA 120.942 -0.303 . . . . 0.0 111.475 -176.656 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 29.4 mm-40 62.52 21.24 12.5 Favored 'General case' 0 N--CA 1.47 0.567 0 C-N-CA 122.865 0.466 . . . . 0.0 111.383 -179.467 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 94.2 mtt180 -135.57 169.69 17.13 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 116.06 -0.518 . . . . 0.0 111.008 -177.051 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 13' ' ' ASP . . . . . 0.41 ' HA ' ' O ' ' A' ' 5' ' ' ILE . 23.3 t70 -80.74 106.46 12.76 Favored 'General case' 0 C--N 1.323 -0.544 0 CA-C-N 115.364 -0.834 . . . . 0.0 109.645 174.961 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -134.63 179.35 6.35 Favored 'General case' 0 C--N 1.323 -0.553 0 CA-C-N 115.805 -0.634 . . . . 0.0 110.373 -175.611 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 15' ' ' GLU . . . . . 0.566 ' O ' ' HA ' ' A' ' 35' ' ' SER . 8.0 mm-40 -52.37 128.02 24.12 Favored 'General case' 0 C--N 1.331 -0.212 0 O-C-N 123.226 0.329 . . . . 0.0 111.06 179.729 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 16' ' ' GLY . . . . . 0.435 ' CA ' HG13 ' A' ' 5' ' ' ILE . . . -93.17 46.67 2.42 Favored Glycine 0 N--CA 1.443 -0.898 0 C-N-CA 120.854 -0.689 . . . . 0.0 111.971 -179.885 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 17' ' ' GLN . . . . . 0.544 HE21 ' CA ' ' A' ' 17' ' ' GLN . 0.0 OUTLIER 57.87 -152.75 0.39 Allowed 'General case' 0 N--CA 1.454 -0.273 0 O-C-N 124.037 0.493 . . . . 0.0 111.096 -179.822 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 18' ' ' ASP . . . . . 0.411 ' H ' ' HB3' ' A' ' 17' ' ' GLN . 4.8 m-20 -113.1 -167.9 1.25 Allowed 'General case' 0 C--N 1.323 -0.55 0 N-CA-C 109.504 -0.554 . . . . 0.0 109.504 178.563 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 19' ' ' PHE . . . . . 0.4 ' O ' ' HG ' ' A' ' 21' ' ' LEU . 96.2 m-85 -94.07 -176.14 3.91 Favored 'General case' 0 C--N 1.322 -0.624 0 CA-C-O 120.588 0.233 . . . . 0.0 110.682 -179.19 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 20' ' ' GLN . . . . . 0.535 HE22 ' HB3' ' A' ' 28' ' ' LYS . 8.3 mp0 -61.41 96.34 0.06 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 121.152 0.501 . . . . 0.0 110.788 177.834 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 21' ' ' LEU . . . . . 0.4 ' HG ' ' O ' ' A' ' 19' ' ' PHE . 0.8 OUTLIER -111.27 -3.22 15.42 Favored 'General case' 0 C--N 1.321 -0.642 0 CA-C-N 115.596 -0.729 . . . . 0.0 110.8 177.732 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 22' ' ' TYR . . . . . 0.543 ' HB3' ' HD3' ' A' ' 23' ' ' PRO . 91.9 t80 -174.04 -53.7 0.0 OUTLIER Pre-proline 0 CA--C 1.538 0.497 0 CA-C-N 115.611 -0.722 . . . . 0.0 110.802 179.408 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 23' ' ' PRO . . . . . 0.543 ' HD3' ' HB3' ' A' ' 22' ' ' TYR . 94.7 Cg_endo -86.0 145.64 8.77 Favored 'Trans proline' 0 C--N 1.354 0.834 0 C-N-CA 121.429 1.419 . . . . 0.0 112.094 178.539 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -103.44 -98.29 2.47 Favored Glycine 0 N--CA 1.446 -0.693 0 C-N-CA 120.95 -0.643 . . . . 0.0 112.498 -177.144 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 11.8 pt-20 -70.81 -39.32 73.13 Favored 'General case' 0 C--N 1.328 -0.359 0 N-CA-C 111.72 0.267 . . . . 0.0 111.72 -174.721 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 58.3 tp -69.6 -39.1 77.44 Favored 'General case' 0 C--N 1.326 -0.437 0 N-CA-C 109.361 -0.607 . . . . 0.0 109.361 178.236 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . -59.26 -54.3 39.04 Favored Glycine 0 N--CA 1.444 -0.771 0 CA-C-N 115.25 -0.886 . . . . 0.0 112.157 178.443 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 28' ' ' LYS . . . . . 0.535 ' HB3' HE22 ' A' ' 20' ' ' GLN . 18.3 ptpt -63.32 -34.35 77.5 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.748 0.274 . . . . 0.0 111.367 -176.532 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 79.8 ttt180 -61.29 -39.14 89.33 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.832 0.349 . . . . 0.0 110.392 -179.925 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 30' ' ' ILE . . . . . . . . . . . . . 57.9 mt -83.3 -45.5 18.76 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.522 0 CA-C-N 116.369 -0.378 . . . . 0.0 111.334 -179.226 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 31' ' ' TYR . . . . . . . . . . . . . 5.1 m-30 -56.83 -35.49 68.88 Favored 'General case' 0 N--CA 1.467 0.397 0 N-CA-C 112.525 0.565 . . . . 0.0 112.525 -175.5 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 32' ' ' ASN . . . . . . . . . . . . . 23.4 m-80 -71.89 -3.7 23.94 Favored 'General case' 0 C--N 1.329 -0.301 0 N-CA-C 112.181 0.437 . . . . 0.0 112.181 -176.755 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 38.7 mt-10 -139.45 11.3 2.53 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-O 120.662 0.268 . . . . 0.0 110.891 179.075 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 34' ' ' ILE . . . . . 0.417 HD11 ' O ' ' A' ' 74' ' ' LEU . 13.5 mm -135.61 124.06 38.53 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.418 0 CA-C-O 121.203 0.525 . . . . 0.0 111.087 -178.556 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 35' ' ' SER . . . . . 0.566 ' HA ' ' O ' ' A' ' 15' ' ' GLU . 13.7 m -79.63 163.98 24.16 Favored 'General case' 0 C--N 1.322 -0.607 0 CA-C-N 115.592 -0.731 . . . . 0.0 110.803 178.113 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 36' ' ' LYS . . . . . 0.409 ' HG2' ' HA ' ' A' ' 17' ' ' GLN . 87.9 mttt -59.95 -34.2 72.94 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.002 -0.545 . . . . 0.0 110.812 -177.066 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 35.3 m-20 -64.67 -47.09 79.71 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 115.947 -0.57 . . . . 0.0 110.745 -178.676 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -67.38 -39.72 85.66 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.046 -0.525 . . . . 0.0 110.806 -178.165 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 39' ' ' TRP . . . . . . . . . . . . . 59.4 t-105 -64.0 -50.59 67.93 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.062 -0.517 . . . . 0.0 110.654 178.892 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -64.02 -37.72 88.47 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 115.994 -0.548 . . . . 0.0 111.027 -178.011 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 24.7 tm0? -65.8 -49.75 67.15 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 115.899 -0.592 . . . . 0.0 110.873 -179.297 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 42' ' ' TRP . . . . . 0.472 ' NE1' ' HA ' ' A' ' 70' ' ' MET . 70.1 t-105 -67.48 -37.54 83.03 Favored 'General case' 0 C--N 1.329 -0.297 0 C-N-CA 120.65 -0.42 . . . . 0.0 111.123 -176.134 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 43' ' ' GLN . . . . . . . . . . . . . 51.8 mt-30 -64.32 -39.27 93.57 Favored 'General case' 0 C--N 1.328 -0.34 0 C-N-CA 120.567 -0.453 . . . . 0.0 110.605 176.381 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 44' ' ' HIS . . . . . . . . . . . . . 46.8 t-80 -63.08 -43.85 97.39 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 121.247 0.546 . . . . 0.0 109.539 177.181 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 17.1 tppt? -59.02 -54.72 43.89 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-N 115.318 -0.856 . . . . 0.0 110.809 177.009 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 46' ' ' GLN . . . . . 0.511 ' O ' HG13 ' A' ' 50' ' ' ILE . 54.1 tp60 -59.4 -39.77 84.47 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.009 -0.542 . . . . 0.0 111.143 -176.317 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 70.3 m -57.75 -42.42 83.9 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-O 120.845 0.355 . . . . 0.0 110.479 178.465 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 48' ' ' MET . . . . . . . . . . . . . 17.5 tmm? -63.55 -44.22 94.77 Favored 'General case' 0 C--N 1.332 -0.194 0 N-CA-C 109.877 -0.416 . . . . 0.0 109.877 177.37 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 9.9 mp -57.95 -43.14 86.23 Favored 'General case' 0 C--N 1.331 -0.239 0 CA-C-N 116.047 -0.524 . . . . 0.0 111.038 178.854 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 50' ' ' ILE . . . . . 0.511 HG13 ' O ' ' A' ' 46' ' ' GLN . 76.5 mt -59.12 -42.82 87.8 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.407 -0.36 . . . . 0.0 111.528 -179.096 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 51' ' ' ASN . . . . . . . . . . . . . 45.9 m-80 -73.17 -35.59 66.45 Favored 'General case' 0 N--CA 1.466 0.369 0 CA-C-O 120.824 0.345 . . . . 0.0 111.462 -178.376 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 7.1 mm-40 -77.78 -38.81 45.91 Favored 'General case' 0 C--N 1.321 -0.665 0 CA-C-O 120.946 0.403 . . . . 0.0 111.517 -177.858 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 67.6 mttm -80.07 -17.61 52.23 Favored 'General case' 0 C--N 1.321 -0.669 0 CA-C-N 116.266 -0.425 . . . . 0.0 110.633 178.702 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 96.5 mttt 57.65 59.93 3.03 Favored 'General case' 0 C--O 1.236 0.365 0 CA-C-N 115.627 -0.715 . . . . 0.0 110.769 -179.684 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 4.3 pp -115.15 139.03 50.25 Favored 'General case' 0 C--N 1.323 -0.574 0 CA-C-N 115.887 -0.597 . . . . 0.0 110.765 -178.98 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 56' ' ' ASN . . . . . . . . . . . . . 12.0 t30 -116.44 147.06 42.06 Favored 'General case' 0 C--N 1.321 -0.656 0 N-CA-C 109.421 -0.585 . . . . 0.0 109.421 176.757 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 57' ' ' MET . . . . . . . . . . . . . 24.3 mmt -77.66 73.28 4.23 Favored 'General case' 0 C--N 1.326 -0.455 0 CA-C-O 121.533 0.683 . . . . 0.0 110.951 -177.839 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 58' ' ' MET . . . . . . . . . . . . . 24.4 ptt? -130.03 -21.92 2.93 Favored 'General case' 0 C--N 1.321 -0.632 0 CA-C-N 115.211 -0.904 . . . . 0.0 110.006 176.866 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 59' ' ' ASN . . . . . . . . . . . . . 49.5 t-20 -118.44 129.0 55.14 Favored 'General case' 0 C--O 1.237 0.416 0 CA-C-N 115.646 -0.706 . . . . 0.0 109.166 178.606 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -61.85 -20.08 63.29 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.068 -0.514 . . . . 0.0 111.834 -177.421 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 61' ' ' GLU . . . . . 0.515 ' O ' ' HG2' ' A' ' 64' ' ' LYS . 22.0 mm-40 -55.23 -39.95 70.31 Favored 'General case' 0 C--N 1.332 -0.175 0 CA-C-O 120.874 0.369 . . . . 0.0 111.49 178.003 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 62' ' ' HIS . . . . . . . . . . . . . 98.4 m-70 -86.64 -20.22 28.16 Favored 'General case' 0 C--N 1.323 -0.555 0 C-N-CA 120.699 -0.4 . . . . 0.0 110.593 -177.83 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 63' ' ' ARG . . . . . . . . . . . . . 6.9 tpp180 -73.4 -42.74 61.75 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-N 116.097 -0.502 . . . . 0.0 109.821 174.507 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 64' ' ' LYS . . . . . 0.515 ' HG2' ' O ' ' A' ' 61' ' ' GLU . 54.7 pttt -65.92 -40.05 91.08 Favored 'General case' 0 C--O 1.225 -0.186 0 CA-C-N 116.44 -0.346 . . . . 0.0 110.235 179.383 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 1.3 mm? -60.58 -49.34 77.94 Favored 'General case' 0 C--O 1.233 0.215 0 CA-C-O 120.62 0.248 . . . . 0.0 110.763 177.52 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 7.7 tt -56.26 -44.08 79.37 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 115.998 -0.546 . . . . 0.0 110.463 177.878 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 33.1 tt0 -63.95 -46.65 83.76 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.741 -179.228 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 68' ' ' GLN . . . . . 0.501 ' HG3' ' O ' ' A' ' 64' ' ' LYS . 55.2 mt-30 -56.05 -51.94 66.04 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.033 -0.53 . . . . 0.0 111.251 179.75 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 41.6 mt-10 -68.47 -40.91 80.84 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 116.365 -0.38 . . . . 0.0 111.192 -177.507 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 70' ' ' MET . . . . . 0.472 ' HA ' ' NE1' ' A' ' 42' ' ' TRP . 52.9 ttm -61.88 -51.17 69.26 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.521 -0.309 . . . . 0.0 111.224 -179.381 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 71' ' ' VAL . . . . . . . . . . . . . 69.8 t -64.19 -34.79 71.16 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.396 0 CA-C-N 116.444 -0.344 . . . . 0.0 110.726 -179.665 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 8.3 t -67.96 -36.34 79.9 Favored 'General case' 0 C--N 1.324 -0.501 0 CA-C-O 120.589 0.233 . . . . 0.0 111.245 -178.027 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 73' ' ' PHE . . . . . . . . . . . . . 75.8 t80 -84.84 -56.88 3.35 Favored 'General case' 0 C--N 1.327 -0.37 0 C-N-CA 121.099 -0.24 . . . . 0.0 111.344 -177.428 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 74' ' ' LEU . . . . . 0.417 ' O ' HD11 ' A' ' 34' ' ' ILE . 92.7 mt -71.44 -54.71 9.75 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-O 120.989 0.423 . . . . 0.0 111.572 -174.518 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 75' ' ' PHE . . . . . . . . . . . . . 78.0 t80 -78.34 -42.62 30.05 Favored 'General case' 0 C--N 1.321 -0.665 0 CA-C-N 116.277 -0.419 . . . . 0.0 110.382 -177.098 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 9.4 tp10 62.49 92.37 0.06 Allowed 'General case' 0 C--O 1.234 0.248 0 O-C-N 124.001 0.813 . . . . 0.0 110.846 -178.93 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . 141.33 51.22 0.04 OUTLIER Glycine 0 N--CA 1.445 -0.747 0 CA-C-N 115.505 -0.77 . . . . 0.0 112.281 -179.98 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 78' ' ' LYS . . . . . 0.608 ' HD2' ' O ' ' A' ' 78' ' ' LYS . 0.0 OUTLIER -92.23 145.94 24.1 Favored 'General case' 0 C--N 1.324 -0.502 0 CA-C-O 120.98 0.419 . . . . 0.0 110.736 177.967 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 79' ' ' ASP . . . . . . . . . . . . . 2.8 m-20 -95.33 -8.89 34.49 Favored 'General case' 0 C--N 1.322 -0.603 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.692 177.422 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 80' ' ' VAL . . . . . . . . . . . . . 20.1 t . . . . . 0 C--N 1.325 -0.495 0 CA-C-N 116.03 -0.532 . . . . 0.0 110.528 -178.558 . . . . . . . . 0 0 . 1 . 005 nuclear nobuild core ' A' A ' 3' ' ' ARG . . . . . . . . . . . . . 14.0 tpp180 . . . . . 0 N--CA 1.453 -0.286 0 CA-C-O 121.175 0.512 . . . . 0.0 110.131 . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild core ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 5.8 p -90.24 110.72 21.76 Favored 'General case' 0 C--N 1.32 -0.709 0 CA-C-N 115.597 -0.728 . . . . 0.0 110.995 -178.042 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 5' ' ' ILE . . . . . . . . . . . . . 27.6 pt -105.18 156.63 6.17 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.528 0 CA-C-N 116.019 -0.537 . . . . 0.0 110.154 178.136 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 6' ' ' PHE . . . . . . . . . . . . . 63.6 m-85 -109.03 93.7 4.65 Favored 'General case' 0 C--N 1.32 -0.703 0 N-CA-C 108.879 -0.785 . . . . 0.0 108.879 174.747 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 7' ' ' CYS . . . . . 0.535 ' HA ' ' O ' ' A' ' 33' ' ' GLU . 37.1 m -57.45 137.78 55.81 Favored 'General case' 0 C--N 1.325 -0.487 0 CA-C-N 115.699 -0.682 . . . . 0.0 110.818 -176.835 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 1.7 p -65.07 -40.66 95.0 Favored 'General case' 0 C--N 1.319 -0.723 0 CA-C-O 120.789 0.328 . . . . 0.0 111.063 -179.738 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 9' ' ' TYR . . . . . . . . . . . . . 45.3 t80 -71.98 -37.95 69.78 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 115.984 -0.553 . . . . 0.0 111.686 -178.722 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 10' ' ' LEU . . . . . 0.408 ' HB2' ' HB2' ' A' ' 7' ' ' CYS . 93.2 mt -92.36 -33.75 14.46 Favored 'General case' 0 C--N 1.326 -0.437 0 C-N-CA 121.087 -0.245 . . . . 0.0 111.628 -174.902 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 80.9 mm-40 59.95 33.42 21.45 Favored 'General case' 0 N--CA 1.464 0.237 0 CA-C-O 121.476 0.655 . . . . 0.0 110.789 -177.056 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 12' ' ' ARG . . . . . 0.406 ' HG3' ' O ' ' A' ' 10' ' ' LEU . 43.7 mtt180 -135.55 173.45 11.7 Favored 'General case' 0 C--N 1.326 -0.434 0 N-CA-C 108.515 -0.92 . . . . 0.0 108.515 179.38 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 3.9 p-10 -82.38 129.26 34.84 Favored 'General case' 0 C--N 1.321 -0.643 0 CA-C-O 121.639 0.733 . . . . 0.0 110.238 179.366 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -140.23 179.73 6.47 Favored 'General case' 0 C--N 1.316 -0.86 0 CA-C-N 115.083 -0.962 . . . . 0.0 109.151 178.629 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 32.6 tt0 -98.24 128.0 44.47 Favored 'General case' 0 C--N 1.318 -0.77 0 N-CA-C 109.749 -0.463 . . . . 0.0 109.749 179.427 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . -61.8 145.69 48.98 Favored Glycine 0 N--CA 1.446 -0.676 0 C-N-CA 120.813 -0.708 . . . . 0.0 111.742 178.312 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 17' ' ' GLN . . . . . 0.47 ' HB3' ' HB3' ' A' ' 31' ' ' TYR . 14.1 tm0? -63.48 124.1 20.47 Favored 'General case' 0 C--N 1.321 -0.64 0 N-CA-C 109.419 -0.586 . . . . 0.0 109.419 -179.352 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 7.7 p-10 -83.09 116.83 22.48 Favored 'General case' 0 C--N 1.323 -0.556 0 CA-C-N 115.662 -0.699 . . . . 0.0 112.001 -172.92 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 86.3 m-85 70.19 115.83 0.04 OUTLIER 'General case' 0 N--CA 1.465 0.284 0 CA-C-N 114.638 -1.164 . . . . 0.0 112.651 173.566 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 53.0 mt-30 -56.59 112.56 1.31 Allowed 'General case' 0 N--CA 1.453 -0.282 0 CA-C-N 115.327 -0.851 . . . . 0.0 109.898 174.871 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 21' ' ' LEU . . . . . 0.627 ' H ' HD12 ' A' ' 21' ' ' LEU . 0.7 OUTLIER -74.1 -37.87 64.03 Favored 'General case' 0 C--N 1.321 -0.669 0 CA-C-N 115.846 -0.615 . . . . 0.0 110.803 -172.307 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 22' ' ' TYR . . . . . 0.497 ' HB3' ' HD3' ' A' ' 23' ' ' PRO . 70.2 t80 -160.88 -49.0 0.01 OUTLIER Pre-proline 0 C--N 1.325 -0.485 0 CA-C-N 116.103 -0.499 . . . . 0.0 111.52 -178.543 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 23' ' ' PRO . . . . . 0.497 ' HD3' ' HB3' ' A' ' 22' ' ' TYR . 21.4 Cg_exo -66.02 134.96 38.9 Favored 'Trans proline' 0 C--N 1.357 0.984 0 C-N-CA 121.571 1.514 . . . . 0.0 111.898 179.556 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -93.59 -95.22 1.52 Allowed Glycine 0 N--CA 1.448 -0.544 0 C-N-CA 120.899 -0.667 . . . . 0.0 112.351 -175.486 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 34.9 tt0 -57.65 -51.92 67.54 Favored 'General case' 0 C--N 1.323 -0.561 0 CA-C-O 120.899 0.381 . . . . 0.0 110.696 -178.215 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 54.6 tp -62.67 -36.97 84.62 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-N 115.854 -0.612 . . . . 0.0 110.264 178.243 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 27' ' ' GLY . . . . . 0.444 ' CA ' ' HB2' ' A' ' 23' ' ' PRO . . . -57.93 -64.29 4.48 Favored Glycine 0 N--CA 1.448 -0.52 0 CA-C-N 115.358 -0.837 . . . . 0.0 112.687 -177.537 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 61.5 pttt -66.64 -27.53 67.76 Favored 'General case' 0 C--N 1.327 -0.406 0 C-N-CA 121.051 -0.26 . . . . 0.0 111.079 -175.21 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 70.8 ttt180 -59.79 -36.99 77.85 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-O 120.941 0.401 . . . . 0.0 110.41 177.933 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 30' ' ' ILE . . . . . . . . . . . . . 62.8 mt -91.62 -47.97 14.0 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.378 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.154 179.727 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 31' ' ' TYR . . . . . 0.47 ' HB3' ' HB3' ' A' ' 17' ' ' GLN . 18.7 m-85 -63.44 -18.32 63.63 Favored 'General case' 0 N--CA 1.466 0.348 0 N-CA-C 113.19 0.811 . . . . 0.0 113.19 -172.567 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 32' ' ' ASN . . . . . . . . . . . . . 1.4 p30 -87.84 -11.43 47.89 Favored 'General case' 0 C--N 1.33 -0.282 0 C-N-CA 120.388 -0.525 . . . . 0.0 110.748 -179.548 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 33' ' ' GLU . . . . . 0.535 ' O ' ' HA ' ' A' ' 7' ' ' CYS . 43.6 mt-10 -130.27 10.5 5.33 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-O 120.909 0.385 . . . . 0.0 111.061 -178.749 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 34' ' ' ILE . . . . . 0.484 HD11 ' O ' ' A' ' 74' ' ' LEU . 6.5 mm -134.92 126.82 47.7 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-O 121.056 0.455 . . . . 0.0 110.466 178.755 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 35' ' ' SER . . . . . 0.456 ' HB2' ' SG ' ' A' ' 7' ' ' CYS . 32.9 t -70.19 155.67 40.31 Favored 'General case' 0 C--N 1.323 -0.555 0 CA-C-N 115.496 -0.774 . . . . 0.0 110.43 178.535 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 63.3 mttt -60.0 -34.32 73.18 Favored 'General case' 0 C--N 1.325 -0.471 0 CA-C-N 115.609 -0.723 . . . . 0.0 110.692 -178.31 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 4.7 p-10 -72.63 -39.84 66.91 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.613 -178.669 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -65.56 -40.11 92.44 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-O 121.002 0.429 . . . . 0.0 110.299 178.89 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 39' ' ' TRP . . . . . 0.452 ' O ' ' HG3' ' A' ' 43' ' ' GLN . 70.6 t-105 -61.93 -47.27 85.68 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 115.628 -0.715 . . . . 0.0 110.162 176.275 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -63.72 -42.3 97.95 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 115.885 -0.598 . . . . 0.0 111.655 -178.394 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 26.9 mm-40 -58.92 -41.42 87.26 Favored 'General case' 0 C--O 1.235 0.337 0 CA-C-N 116.231 -0.44 . . . . 0.0 111.284 179.759 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 42' ' ' TRP . . . . . . . . . . . . . 35.3 t-105 -67.4 -42.94 82.48 Favored 'General case' 0 C--N 1.328 -0.329 0 C-N-CA 120.742 -0.383 . . . . 0.0 110.969 179.353 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 43' ' ' GLN . . . . . 0.452 ' HG3' ' O ' ' A' ' 39' ' ' TRP . 37.4 mt-30 -59.37 -36.43 75.74 Favored 'General case' 0 C--N 1.331 -0.211 0 CA-C-O 120.819 0.342 . . . . 0.0 110.775 179.185 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 44' ' ' HIS . . . . . . . . . . . . . 23.3 t-80 -58.92 -51.15 71.25 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 115.863 -0.608 . . . . 0.0 110.404 177.921 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 18.1 tppt? -69.85 -38.19 76.39 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 115.964 -0.562 . . . . 0.0 111.12 -179.002 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 46' ' ' GLN . . . . . 0.444 ' O ' HG13 ' A' ' 50' ' ' ILE . 23.7 tp60 -61.85 -41.09 97.41 Favored 'General case' 0 C--N 1.325 -0.5 0 CA-C-O 120.792 0.33 . . . . 0.0 110.771 -179.625 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 33.4 m -68.18 -38.01 81.58 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.313 177.755 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 48' ' ' MET . . . . . . . . . . . . . 27.7 ttt -61.08 -41.22 96.24 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 116.089 -0.505 . . . . 0.0 110.064 176.333 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 4.9 mp -56.83 -40.35 75.89 Favored 'General case' 0 N--CA 1.462 0.174 0 CA-C-N 115.944 -0.571 . . . . 0.0 111.109 175.333 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 50' ' ' ILE . . . . . 0.444 HG13 ' O ' ' A' ' 46' ' ' GLN . 68.1 mt -67.23 -38.01 80.2 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.521 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.706 179.779 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 51' ' ' ASN . . . . . . . . . . . . . 92.8 m-20 -73.96 -40.68 62.85 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-N 116.13 -0.486 . . . . 0.0 111.266 -178.92 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 49.5 mt-10 -78.9 -52.6 8.06 Favored 'General case' 0 C--N 1.327 -0.398 0 N-CA-C 111.963 0.357 . . . . 0.0 111.963 -177.743 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 48.2 mttm -96.17 -14.06 23.06 Favored 'General case' 0 C--N 1.325 -0.494 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.64 -169.552 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 34.7 mmtp 54.05 52.13 13.35 Favored 'General case' 0 C--O 1.234 0.278 0 CA-C-O 121.24 0.543 . . . . 0.0 111.1 -179.163 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 55' ' ' LEU . . . . . 0.42 ' HB2' ' HB3' ' A' ' 62' ' ' HIS . 0.3 OUTLIER -87.56 77.67 8.71 Favored 'General case' 0 C--N 1.324 -0.541 0 CA-C-O 121.467 0.651 . . . . 0.0 110.962 178.67 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 56' ' ' ASN . . . . . . . . . . . . . 18.5 m120 -65.25 135.7 55.71 Favored 'General case' 0 C--N 1.324 -0.501 0 CA-C-N 115.404 -0.816 . . . . 0.0 109.933 177.099 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 57' ' ' MET . . . . . 0.501 ' SD ' ' HA ' ' A' ' 63' ' ' ARG . 21.2 mmt -78.78 6.43 9.02 Favored 'General case' 0 C--N 1.324 -0.512 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.204 -173.495 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 58' ' ' MET . . . . . . . . . . . . . 26.0 ptt? -64.74 -21.58 66.79 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-O 121.083 0.468 . . . . 0.0 109.98 174.639 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 59' ' ' ASN . . . . . . . . . . . . . 16.0 m120 -107.17 126.82 52.89 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-N 115.787 -0.642 . . . . 0.0 109.836 176.658 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -61.64 -24.76 66.93 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-O 120.834 0.349 . . . . 0.0 111.528 -176.271 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 24.1 mt-10 -64.35 -48.14 76.69 Favored 'General case' 0 C--N 1.322 -0.614 0 CA-C-O 121.419 0.628 . . . . 0.0 110.488 176.945 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 62' ' ' HIS . . . . . 0.434 ' O ' ' HB2' ' A' ' 65' ' ' LEU . 50.8 m-70 -76.99 -26.67 54.16 Favored 'General case' 0 C--N 1.321 -0.656 0 CA-C-O 121.176 0.512 . . . . 0.0 109.645 -179.591 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 63' ' ' ARG . . . . . 0.505 ' HD3' ' O ' ' A' ' 63' ' ' ARG . 1.9 tmt_? -72.66 -37.74 67.85 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 115.86 -0.609 . . . . 0.0 110.47 179.473 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 6.1 ptpp? -69.73 -27.73 65.21 Favored 'General case' 0 C--O 1.221 -0.423 0 C-N-CA 120.292 -0.563 . . . . 0.0 110.09 177.405 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 65' ' ' LEU . . . . . 0.434 ' HB2' ' O ' ' A' ' 62' ' ' HIS . 62.7 mt -56.0 -51.87 66.21 Favored 'General case' 0 C--O 1.234 0.273 0 CA-C-O 120.803 0.335 . . . . 0.0 110.205 171.921 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 32.6 tp -49.95 -49.2 51.02 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 115.393 -0.822 . . . . 0.0 111.188 174.133 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 8.1 tp10 -64.91 -55.82 16.99 Favored 'General case' 0 C--N 1.324 -0.513 0 CA-C-N 115.817 -0.628 . . . . 0.0 111.619 -176.46 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 68' ' ' GLN . . . . . . . . . . . . . 53.2 mt-30 -62.64 -53.28 56.99 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-N 115.893 -0.594 . . . . 0.0 111.736 -174.139 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 18.3 mt-10 -67.91 -28.25 67.33 Favored 'General case' 0 C--N 1.329 -0.297 0 C-N-CA 120.837 -0.345 . . . . 0.0 111.651 -174.982 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 70' ' ' MET . . . . . . . . . . . . . 18.3 tmm? -60.27 -53.23 60.14 Favored 'General case' 0 C--O 1.234 0.243 0 N-CA-C 110.131 -0.322 . . . . 0.0 110.131 176.077 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 71' ' ' VAL . . . . . . . . . . . . . 43.7 t -63.34 -33.76 63.14 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.425 179.696 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 26.9 m -70.17 -36.86 74.98 Favored 'General case' 0 C--N 1.324 -0.532 0 CA-C-N 115.732 -0.667 . . . . 0.0 111.823 -176.18 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 73' ' ' PHE . . . . . . . . . . . . . 80.2 t80 -85.3 -40.47 16.53 Favored 'General case' 0 C--N 1.325 -0.469 0 CA-C-O 120.686 0.279 . . . . 0.0 111.341 -177.04 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 74' ' ' LEU . . . . . 0.484 ' O ' HD11 ' A' ' 34' ' ' ILE . 93.6 mt -85.89 -46.55 10.49 Favored 'General case' 0 C--N 1.324 -0.501 0 N-CA-C 112.121 0.415 . . . . 0.0 112.121 -174.206 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 75' ' ' PHE . . . . . . . . . . . . . 41.3 t80 -100.05 -25.71 14.21 Favored 'General case' 0 C--N 1.324 -0.527 0 C-N-CA 120.832 -0.347 . . . . 0.0 111.083 -173.68 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 37.3 mt-10 62.23 23.07 13.6 Favored 'General case' 0 C--O 1.236 0.35 0 CA-C-N 115.913 -0.585 . . . . 0.0 111.633 179.257 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . -146.12 80.98 0.21 Allowed Glycine 0 N--CA 1.447 -0.61 0 C-N-CA 120.426 -0.892 . . . . 0.0 112.584 -178.3 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 78' ' ' LYS . . . . . 0.408 ' HD2' ' O ' ' A' ' 78' ' ' LYS . 1.8 pptp? -124.49 152.72 43.03 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-O 120.894 0.378 . . . . 0.0 110.404 175.066 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 79' ' ' ASP . . . . . . . . . . . . . 31.8 t70 -104.43 -11.19 17.21 Favored 'General case' 0 C--N 1.323 -0.551 0 CA-C-O 121.406 0.622 . . . . 0.0 110.306 179.12 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 80' ' ' VAL . . . . . . . . . . . . . 3.7 t . . . . . 0 C--N 1.326 -0.418 0 CA-C-N 116.057 -0.519 . . . . 0.0 110.189 -179.619 . . . . . . . . 0 0 . 1 . 006 nuclear nobuild core ' A' A ' 3' ' ' ARG . . . . . . . . . . . . . 38.3 ttm180 . . . . . 0 N--CA 1.453 -0.301 0 N-CA-C 108.035 -1.098 . . . . 0.0 108.035 . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild core ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 23.7 p -116.0 150.5 37.11 Favored 'General case' 0 N--CA 1.446 -0.669 0 CA-C-N 115.076 -0.965 . . . . 0.0 111.721 -170.653 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 5' ' ' ILE . . . . . . . . . . . . . 2.9 pp -131.15 152.38 37.37 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.818 0 CA-C-N 115.099 -0.955 . . . . 0.0 109.428 176.525 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 6' ' ' PHE . . . . . . . . . . . . . 54.5 t80 -78.67 107.93 11.71 Favored 'General case' 0 C--N 1.322 -0.612 0 N-CA-C 109.263 -0.643 . . . . 0.0 109.263 178.175 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 7' ' ' CYS . . . . . 0.468 ' HB2' ' HB2' ' A' ' 10' ' ' LEU . 44.5 m -70.79 127.51 32.88 Favored 'General case' 0 C--N 1.319 -0.739 0 CA-C-N 115.776 -0.647 . . . . 0.0 111.089 -176.374 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 10.0 p -66.9 -43.24 83.91 Favored 'General case' 0 C--N 1.322 -0.624 0 CA-C-O 121.231 0.538 . . . . 0.0 111.068 179.675 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 9' ' ' TYR . . . . . . . . . . . . . 76.3 t80 -81.85 -31.52 31.56 Favored 'General case' 0 C--N 1.324 -0.519 0 CA-C-N 115.921 -0.581 . . . . 0.0 111.895 -177.007 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 10' ' ' LEU . . . . . 0.468 ' HB2' ' HB2' ' A' ' 7' ' ' CYS . 90.3 mt -96.3 -21.7 17.66 Favored 'General case' 0 C--N 1.326 -0.425 0 C-N-CA 120.81 -0.356 . . . . 0.0 111.73 -175.413 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 32.1 mm-40 63.93 18.32 11.11 Favored 'General case' 0 N--CA 1.467 0.384 0 N-CA-C 112.23 0.456 . . . . 0.0 112.23 178.013 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 95.0 mtt180 -125.57 173.35 9.02 Favored 'General case' 0 C--N 1.325 -0.477 0 CA-C-O 120.754 0.312 . . . . 0.0 110.244 178.053 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 11.1 m-20 -91.59 110.85 22.18 Favored 'General case' 0 C--N 1.322 -0.603 0 CA-C-N 115.673 -0.694 . . . . 0.0 109.598 176.503 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 14' ' ' ALA . . . . . 0.448 ' HB3' ' SG ' ' A' ' 7' ' ' CYS . . . -130.75 163.73 26.66 Favored 'General case' 0 C--N 1.318 -0.795 0 CA-C-N 116.285 -0.416 . . . . 0.0 110.442 -179.036 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 43.7 tt0 -63.89 123.05 17.96 Favored 'General case' 0 C--N 1.322 -0.617 0 CA-C-N 116.125 -0.488 . . . . 0.0 110.617 -178.015 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . -65.1 149.38 51.71 Favored Glycine 0 N--CA 1.448 -0.558 0 CA-C-N 115.513 -0.767 . . . . 0.0 112.547 -177.282 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 17' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -72.14 97.74 2.0 Allowed 'General case' 0 C--N 1.323 -0.562 0 N-CA-C 109.327 -0.62 . . . . 0.0 109.327 179.216 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 18.4 t70 -90.03 4.16 51.04 Favored 'General case' 0 C--N 1.32 -0.698 0 CA-C-N 115.973 -0.558 . . . . 0.0 111.795 -170.007 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 98.5 m-85 -96.93 96.16 8.33 Favored 'General case' 0 C--N 1.322 -0.597 0 CA-C-N 116.231 -0.44 . . . . 0.0 111.426 -177.561 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 36.0 tt0 -96.56 114.71 26.39 Favored 'General case' 0 C--N 1.323 -0.566 0 N-CA-C 109.16 -0.681 . . . . 0.0 109.16 174.153 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 21' ' ' LEU . . . . . 0.403 HD13 ' H ' ' A' ' 21' ' ' LEU . 0.0 OUTLIER -141.88 1.13 1.46 Allowed 'General case' 0 C--N 1.324 -0.515 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.825 -174.128 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 22' ' ' TYR . . . . . 0.537 ' HB3' ' HD3' ' A' ' 23' ' ' PRO . 9.3 t80 -148.79 -56.59 0.02 OUTLIER Pre-proline 0 C--N 1.325 -0.488 0 C-N-CA 121.046 -0.262 . . . . 0.0 111.193 -176.948 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 23' ' ' PRO . . . . . 0.537 ' HD3' ' HB3' ' A' ' 22' ' ' TYR . 19.7 Cg_endo -95.65 147.3 1.36 Allowed 'Trans proline' 0 C--N 1.354 0.824 0 C-N-CA 122.544 2.163 . . . . 0.0 112.915 -177.317 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -95.28 -103.68 1.93 Allowed Glycine 0 N--CA 1.451 -0.365 0 C-N-CA 120.871 -0.681 . . . . 0.0 112.74 -176.765 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 15.5 tp10 -65.3 -40.31 93.65 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-O 121.113 0.483 . . . . 0.0 110.084 -179.071 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 56.7 tp -64.86 -34.07 77.51 Favored 'General case' 0 C--N 1.325 -0.492 0 CA-C-N 115.959 -0.564 . . . . 0.0 109.566 174.944 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 27' ' ' GLY . . . . . 0.535 ' CA ' ' HB2' ' A' ' 23' ' ' PRO . . . -62.51 -57.71 15.37 Favored Glycine 0 N--CA 1.445 -0.715 0 CA-C-N 115.371 -0.831 . . . . 0.0 112.299 178.751 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 12.9 ptmm? -61.74 -25.29 67.36 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-O 120.398 0.142 . . . . 0.0 111.195 -179.04 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 29' ' ' ARG . . . . . 0.42 ' O ' ' HG3' ' A' ' 33' ' ' GLU . 11.6 ttp180 -65.35 -54.88 22.38 Favored 'General case' 0 C--N 1.331 -0.201 0 N-CA-C 109.487 -0.56 . . . . 0.0 109.487 174.874 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 30' ' ' ILE . . . . . . . . . . . . . 69.0 mt -63.87 -37.36 79.53 Favored 'Isoleucine or valine' 0 C--O 1.219 -0.534 0 CA-C-N 115.791 -0.64 . . . . 0.0 110.799 -178.858 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 31' ' ' TYR . . . . . . . . . . . . . 20.7 m-30 -65.05 -26.42 68.24 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-O 121.073 0.463 . . . . 0.0 111.014 177.838 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 32' ' ' ASN . . . . . . . . . . . . . 1.8 t30 -83.58 -22.17 32.4 Favored 'General case' 0 C--N 1.321 -0.658 0 CA-C-N 115.476 -0.784 . . . . 0.0 110.871 179.723 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 33' ' ' GLU . . . . . 0.434 ' O ' ' HA ' ' A' ' 7' ' ' CYS . 41.3 mt-10 -101.82 -24.21 14.08 Favored 'General case' 0 C--N 1.325 -0.49 0 CA-C-O 121.158 0.504 . . . . 0.0 110.945 -178.73 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 34' ' ' ILE . . . . . 0.502 HG23 ' HB3' ' A' ' 38' ' ' ALA . 19.3 mm -124.81 129.62 73.52 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.542 0 CA-C-O 121.315 0.579 . . . . 0.0 111.19 -176.619 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 8.1 p -82.61 171.14 14.38 Favored 'General case' 0 C--N 1.32 -0.681 0 CA-C-N 115.416 -0.811 . . . . 0.0 111.242 178.844 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 95.3 mttt -59.5 -30.46 68.58 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-N 115.985 -0.552 . . . . 0.0 110.955 178.53 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 15.3 m-20 -63.59 -58.22 7.63 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.732 -179.279 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 38' ' ' ALA . . . . . 0.502 ' HB3' HG23 ' A' ' 34' ' ' ILE . . . -66.44 -33.31 75.41 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 115.815 -0.629 . . . . 0.0 110.902 -179.013 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 39' ' ' TRP . . . . . . . . . . . . . 75.0 t-105 -58.8 -53.09 62.35 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 115.904 -0.589 . . . . 0.0 110.53 178.127 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -67.08 -42.73 84.17 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 115.921 -0.581 . . . . 0.0 110.87 179.865 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 55.8 tt0 -55.71 -51.52 67.02 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 115.734 -0.666 . . . . 0.0 111.208 179.838 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 42' ' ' TRP . . . . . 0.452 ' HE1' ' HA ' ' A' ' 70' ' ' MET . 39.7 t-105 -66.52 -47.65 72.26 Favored 'General case' 0 N--CA 1.452 -0.366 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.089 -177.481 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 43' ' ' GLN . . . . . . . . . . . . . 25.8 mt-30 -61.66 -42.22 98.61 Favored 'General case' 0 C--N 1.325 -0.465 0 N-CA-C 111.795 0.294 . . . . 0.0 111.795 -176.723 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 44' ' ' HIS . . . . . . . . . . . . . 7.4 t-80 -66.26 -40.19 89.97 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-O 120.92 0.391 . . . . 0.0 110.406 -177.126 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 45' ' ' LYS . . . . . 0.533 ' HE3' HD11 ' A' ' 49' ' ' LEU . 2.1 tmmm? -73.1 -39.17 66.02 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.029 178.981 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 46' ' ' GLN . . . . . 0.587 ' O ' HG13 ' A' ' 50' ' ' ILE . 51.5 tp60 -65.16 -39.48 93.03 Favored 'General case' 0 C--N 1.324 -0.504 0 CA-C-N 116.333 -0.394 . . . . 0.0 110.527 -179.844 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 32.7 m -61.53 -38.02 85.89 Favored 'General case' 0 C--N 1.328 -0.342 0 N-CA-C 109.95 -0.389 . . . . 0.0 109.95 176.582 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 48' ' ' MET . . . . . 0.488 ' HB3' ' O ' ' A' ' 45' ' ' LYS . 37.0 ttm -57.44 -48.85 78.06 Favored 'General case' 0 C--N 1.332 -0.192 0 CA-C-N 115.93 -0.577 . . . . 0.0 109.89 173.809 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 49' ' ' LEU . . . . . 0.533 HD11 ' HE3' ' A' ' 45' ' ' LYS . 77.8 mt -62.55 -41.02 98.64 Favored 'General case' 0 C--O 1.221 -0.436 0 CA-C-N 115.715 -0.675 . . . . 0.0 111.111 179.415 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 50' ' ' ILE . . . . . 0.587 HG13 ' O ' ' A' ' 46' ' ' GLN . 88.4 mt -58.12 -37.6 62.95 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.431 0 CA-C-O 120.65 0.262 . . . . 0.0 110.694 179.533 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 51' ' ' ASN . . . . . . . . . . . . . 81.5 m-20 -66.42 -42.79 87.24 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.632 177.94 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 35.7 mt-10 -82.54 -34.82 27.72 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-N 115.957 -0.565 . . . . 0.0 111.754 -174.056 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 99.3 mttt -76.98 -19.23 57.57 Favored 'General case' 0 C--N 1.326 -0.414 0 N-CA-C 109.972 -0.381 . . . . 0.0 109.972 176.335 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 58.0 mtpt 58.81 42.44 19.9 Favored 'General case' 0 N--CA 1.465 0.29 0 CA-C-N 115.749 -0.659 . . . . 0.0 110.201 -179.813 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 55' ' ' LEU . . . . . 0.418 HD12 HG12 ' A' ' 50' ' ' ILE . 69.6 mt -61.08 125.72 24.76 Favored 'General case' 0 C--O 1.234 0.24 0 CA-C-N 115.223 -0.898 . . . . 0.0 112.006 -175.132 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 56' ' ' ASN . . . . . . . . . . . . . 31.4 t30 -95.75 113.59 25.24 Favored 'General case' 0 C--N 1.324 -0.536 0 CA-C-N 115.289 -0.868 . . . . 0.0 109.922 174.37 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 57' ' ' MET . . . . . . . . . . . . . 1.1 mpt? -79.99 -2.38 43.78 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.515 -177.792 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 58' ' ' MET . . . . . . . . . . . . . 59.8 mtm -87.0 1.26 53.42 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-O 121.318 0.58 . . . . 0.0 110.005 177.255 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 59' ' ' ASN . . . . . . . . . . . . . 13.4 t-20 -123.73 134.86 53.61 Favored 'General case' 0 C--N 1.326 -0.443 0 CA-C-N 115.517 -0.765 . . . . 0.0 110.053 178.791 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -64.64 -34.08 77.45 Favored 'General case' 0 C--N 1.328 -0.364 0 N-CA-C 112.824 0.675 . . . . 0.0 112.824 -172.943 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 30.5 mm-40 -67.32 -36.98 82.56 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-O 120.619 0.247 . . . . 0.0 111.451 -174.082 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 62' ' ' HIS . . . . . . . . . . . . . 90.5 m-70 -81.65 -24.96 35.99 Favored 'General case' 0 C--N 1.325 -0.491 0 CA-C-O 121.196 0.522 . . . . 0.0 109.874 178.509 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 63' ' ' ARG . . . . . . . . . . . . . 44.8 tpt85 -70.76 -45.08 65.43 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 115.658 -0.701 . . . . 0.0 110.514 177.52 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 17.6 ptpt -67.74 -35.34 78.55 Favored 'General case' 0 C--N 1.332 -0.194 0 CA-C-N 116.266 -0.424 . . . . 0.0 110.047 178.605 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 66.4 tp -58.37 -40.55 82.59 Favored 'General case' 0 C--O 1.233 0.207 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.172 177.887 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 36.6 tp -58.58 -49.99 75.44 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 115.643 -0.708 . . . . 0.0 110.407 177.348 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 17.2 mm-40 -59.44 -44.21 92.98 Favored 'General case' 0 C--O 1.235 0.306 0 CA-C-O 121.371 0.605 . . . . 0.0 110.667 177.722 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 68' ' ' GLN . . . . . . . . . . . . . 23.4 mt-30 -54.07 -60.3 3.51 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-N 114.927 -1.033 . . . . 0.0 112.077 -177.513 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 17.9 pt-20 -74.49 -26.44 60.01 Favored 'General case' 0 C--N 1.328 -0.33 0 C-N-CA 120.413 -0.515 . . . . 0.0 111.483 -175.626 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 70' ' ' MET . . . . . 0.452 ' HA ' ' HE1' ' A' ' 42' ' ' TRP . 37.5 ttm -60.12 -57.53 12.45 Favored 'General case' 0 C--N 1.331 -0.209 0 CA-C-O 121.199 0.523 . . . . 0.0 110.948 177.422 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 71' ' ' VAL . . . . . . . . . . . . . 60.8 t -69.84 -30.49 44.68 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 CA-C-N 115.825 -0.625 . . . . 0.0 111.156 -177.035 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 13.3 t -68.32 -25.41 65.1 Favored 'General case' 0 C--N 1.323 -0.579 0 CA-C-O 120.642 0.258 . . . . 0.0 110.55 179.914 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 73' ' ' PHE . . . . . . . . . . . . . 59.7 t80 -89.25 -47.99 7.68 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-O 120.806 0.336 . . . . 0.0 110.63 177.861 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 74' ' ' LEU . . . . . 0.416 ' HB3' HG13 ' A' ' 34' ' ' ILE . 95.7 mt -74.96 -38.49 61.69 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.083 -0.508 . . . . 0.0 112.188 -174.571 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 75' ' ' PHE . . . . . 0.429 ' O ' ' HB2' ' A' ' 76' ' ' GLU . 88.3 t80 -104.6 -39.22 6.46 Favored 'General case' 0 C--N 1.326 -0.452 0 C-N-CA 121.197 -0.201 . . . . 0.0 111.433 -175.834 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 76' ' ' GLU . . . . . 0.429 ' HB2' ' O ' ' A' ' 75' ' ' PHE . 22.7 mm-40 68.73 90.13 0.1 Allowed 'General case' 0 C--O 1.236 0.36 0 O-C-N 123.724 0.64 . . . . 0.0 110.474 -176.202 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . 135.58 65.66 0.06 OUTLIER Glycine 0 N--CA 1.447 -0.602 0 C-N-CA 120.938 -0.649 . . . . 0.0 112.183 -179.097 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 11.9 mmmt -88.85 133.22 34.34 Favored 'General case' 0 C--N 1.324 -0.518 0 CA-C-O 121.145 0.498 . . . . 0.0 111.971 -179.919 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 79' ' ' ASP . . . . . . . . . . . . . 9.1 p-10 -64.19 -48.53 75.58 Favored 'General case' 0 C--N 1.325 -0.478 0 CA-C-N 115.206 -0.906 . . . . 0.0 110.03 174.187 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 80' ' ' VAL . . . . . . . . . . . . . 65.2 t . . . . . 0 C--N 1.329 -0.323 0 CA-C-N 115.791 -0.64 . . . . 0.0 110.145 176.401 . . . . . . . . 0 0 . 1 . 007 nuclear nobuild core ' A' A ' 3' ' ' ARG . . . . . . . . . . . . . 45.8 ttt180 . . . . . 0 N--CA 1.454 -0.26 0 N-CA-C 109.926 -0.398 . . . . 0.0 109.926 . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild core ' A' A ' 4' ' ' THR . . . . . 0.509 ' HA ' ' O ' ' A' ' 14' ' ' ALA . 4.3 p -101.99 127.0 49.04 Favored 'General case' 0 C--N 1.322 -0.625 0 CA-C-O 120.953 0.406 . . . . 0.0 111.519 -179.523 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 5' ' ' ILE . . . . . . . . . . . . . 2.7 pp -118.4 179.91 1.72 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 CA-C-N 115.741 -0.663 . . . . 0.0 110.608 179.129 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 6' ' ' PHE . . . . . . . . . . . . . 85.3 m-85 -97.4 100.68 12.12 Favored 'General case' 0 C--N 1.323 -0.558 0 N-CA-C 109.766 -0.457 . . . . 0.0 109.766 177.878 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 7' ' ' CYS . . . . . 0.405 ' HB3' ' HB2' ' A' ' 10' ' ' LEU . 51.3 t -77.16 138.99 39.8 Favored 'General case' 0 C--N 1.325 -0.495 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.703 -176.917 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 10.9 p -65.28 -46.84 78.84 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-N 115.78 -0.645 . . . . 0.0 112.222 -177.911 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 9' ' ' TYR . . . . . . . . . . . . . 42.3 t80 -78.97 -32.38 45.34 Favored 'General case' 0 C--N 1.323 -0.567 0 CA-C-N 116.255 -0.43 . . . . 0.0 111.097 -174.555 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 10' ' ' LEU . . . . . 0.405 ' HB2' ' HB3' ' A' ' 7' ' ' CYS . 10.9 mp -86.32 -33.12 20.7 Favored 'General case' 0 C--N 1.327 -0.393 0 C-N-CA 120.865 -0.334 . . . . 0.0 111.341 -178.77 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 84.9 mm-40 58.71 41.16 22.35 Favored 'General case' 0 N--CA 1.462 0.158 0 CA-C-O 121.535 0.683 . . . . 0.0 110.526 -177.553 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 11.7 mtp180 -146.4 -179.25 6.62 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-N 115.227 -0.897 . . . . 0.0 111.002 -179.828 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 11.0 p-10 -72.59 109.93 6.59 Favored 'General case' 0 C--N 1.325 -0.467 0 CA-C-N 114.967 -1.015 . . . . 0.0 108.709 168.765 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 14' ' ' ALA . . . . . 0.509 ' O ' ' HA ' ' A' ' 4' ' ' THR . . . -132.17 180.0 5.77 Favored 'General case' 0 C--N 1.318 -0.799 0 CA-C-N 115.942 -0.572 . . . . 0.0 111.77 -170.813 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 10.3 mt-10 -71.83 136.36 46.98 Favored 'General case' 0 C--N 1.323 -0.548 0 CA-C-N 115.842 -0.617 . . . . 0.0 110.464 -176.507 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . -80.83 11.67 39.84 Favored Glycine 0 N--CA 1.45 -0.393 0 C-N-CA 120.856 -0.687 . . . . 0.0 112.501 176.659 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 17' ' ' GLN . . . . . 0.618 ' NE2' ' H ' ' A' ' 18' ' ' ASP . 0.0 OUTLIER 61.4 -174.18 0.13 Allowed 'General case' 0 CA--C 1.53 0.192 0 C-N-CA 123.007 0.523 . . . . 0.0 110.903 179.472 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 18' ' ' ASP . . . . . 0.618 ' H ' ' NE2' ' A' ' 17' ' ' GLN . 5.5 p-10 -97.68 165.99 11.7 Favored 'General case' 0 C--N 1.324 -0.52 0 N-CA-C 109.219 -0.66 . . . . 0.0 109.219 174.301 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 97.8 m-85 -88.52 -164.02 1.06 Allowed 'General case' 0 C--N 1.32 -0.699 0 N-CA-C 113.13 0.789 . . . . 0.0 113.13 -165.514 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 10.8 mm100 -64.76 103.56 0.71 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 114.931 -1.031 . . . . 0.0 111.259 -173.813 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 21' ' ' LEU . . . . . 0.44 ' H ' HD12 ' A' ' 21' ' ' LEU . 0.3 OUTLIER -106.04 -18.7 13.95 Favored 'General case' 0 C--N 1.321 -0.638 0 CA-C-N 115.917 -0.583 . . . . 0.0 111.35 175.918 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 22' ' ' TYR . . . . . 0.597 ' H ' ' HD2' ' A' ' 23' ' ' PRO . 43.3 m-85 -151.52 -57.3 0.02 OUTLIER Pre-proline 0 CA--C 1.537 0.481 0 CA-C-N 115.957 -0.565 . . . . 0.0 111.794 -178.281 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 23' ' ' PRO . . . . . 0.597 ' HD2' ' H ' ' A' ' 22' ' ' TYR . 86.7 Cg_endo -78.65 174.06 12.81 Favored 'Trans proline' 0 C--N 1.359 1.124 0 C-N-CA 122.07 1.847 . . . . 0.0 113.273 -171.835 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -106.81 -128.78 6.08 Favored Glycine 0 N--CA 1.445 -0.763 0 CA-C-N 115.686 -0.688 . . . . 0.0 112.361 -179.176 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 25' ' ' GLU . . . . . 0.468 ' HA ' ' HE3' ' A' ' 28' ' ' LYS . 9.9 pt-20 -58.22 -38.44 76.82 Favored 'General case' 0 C--N 1.326 -0.439 0 N-CA-C 112.155 0.428 . . . . 0.0 112.155 -176.08 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 26' ' ' LEU . . . . . 0.529 ' O ' HG13 ' A' ' 30' ' ' ILE . 43.9 tp -67.75 -33.65 75.27 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-O 120.933 0.397 . . . . 0.0 110.147 -179.892 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . -66.31 -51.95 39.6 Favored Glycine 0 N--CA 1.448 -0.532 0 CA-C-N 115.805 -0.634 . . . . 0.0 112.623 -178.818 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 28' ' ' LYS . . . . . 0.468 ' HE3' ' HA ' ' A' ' 25' ' ' GLU . 22.6 pttp -65.67 -27.43 68.35 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-O 120.51 0.195 . . . . 0.0 110.926 -178.32 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 77.7 ttt180 -62.1 -44.81 95.85 Favored 'General case' 0 C--O 1.224 -0.243 0 N-CA-C 109.801 -0.444 . . . . 0.0 109.801 174.327 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 30' ' ' ILE . . . . . 0.529 HG13 ' O ' ' A' ' 26' ' ' LEU . 60.8 mt -64.84 -44.31 96.31 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 CA-C-N 116.279 -0.419 . . . . 0.0 110.896 179.873 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 31' ' ' TYR . . . . . . . . . . . . . 23.4 m-85 -67.58 -33.18 74.49 Favored 'General case' 0 C--N 1.324 -0.539 0 N-CA-C 112.708 0.633 . . . . 0.0 112.708 -173.236 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 32' ' ' ASN . . . . . . . . . . . . . 0.0 OUTLIER -90.42 0.72 57.17 Favored 'General case' 0 C--N 1.327 -0.374 0 C-N-CA 119.933 -0.707 . . . . 0.0 111.214 -178.673 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 8.8 mm-40 -109.54 -25.29 10.54 Favored 'General case' 0 C--N 1.331 -0.2 0 CA-C-O 121.245 0.545 . . . . 0.0 110.144 174.987 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 34' ' ' ILE . . . . . . . . . . . . . 26.2 mm -120.4 119.48 59.96 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.572 0 CA-C-O 121.394 0.616 . . . . 0.0 111.892 -173.686 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 35' ' ' SER . . . . . 0.478 ' CB ' ' HB1' ' A' ' 14' ' ' ALA . 5.8 t -70.76 152.85 43.35 Favored 'General case' 0 C--N 1.321 -0.647 0 CA-C-N 115.004 -0.998 . . . . 0.0 109.756 175.443 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 36' ' ' LYS . . . . . 0.527 ' HG2' ' OE1' ' A' ' 17' ' ' GLN . 53.7 mttm -55.05 -26.98 41.23 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-O 120.641 0.258 . . . . 0.0 110.817 174.568 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 37' ' ' ASP . . . . . 0.47 ' O ' ' HG3' ' A' ' 41' ' ' GLN . 29.0 t70 -53.06 -57.66 9.66 Favored 'General case' 0 C--N 1.325 -0.472 0 CA-C-N 115.993 -0.549 . . . . 0.0 110.747 173.891 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -76.35 -34.33 58.95 Favored 'General case' 0 C--N 1.326 -0.445 0 CA-C-N 115.918 -0.583 . . . . 0.0 110.941 -179.24 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 39' ' ' TRP . . . . . 0.469 ' HB3' ' HA ' ' A' ' 36' ' ' LYS . 77.0 t-105 -61.43 -47.61 84.94 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 120.807 0.336 . . . . 0.0 110.526 -179.966 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -63.13 -46.86 85.27 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 116.088 -0.505 . . . . 0.0 110.698 179.465 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 41' ' ' GLN . . . . . 0.47 ' HG3' ' O ' ' A' ' 37' ' ' ASP . 98.4 mt-30 -58.71 -49.27 78.21 Favored 'General case' 0 CA--C 1.519 -0.236 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.841 179.126 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 42' ' ' TRP . . . . . 0.454 ' HE1' ' HA ' ' A' ' 70' ' ' MET . 33.6 t-105 -65.26 -46.38 80.76 Favored 'General case' 0 C--O 1.221 -0.396 0 CA-C-N 116.478 -0.328 . . . . 0.0 111.259 -177.363 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 43' ' ' GLN . . . . . . . . . . . . . 74.4 mm-40 -62.88 -40.06 96.36 Favored 'General case' 0 C--N 1.323 -0.576 0 C-N-CA 120.973 -0.291 . . . . 0.0 111.125 179.528 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 44' ' ' HIS . . . . . . . . . . . . . 9.7 t60 -66.32 -43.26 86.68 Favored 'General case' 0 C--N 1.324 -0.506 0 CA-C-O 121.286 0.565 . . . . 0.0 110.123 179.103 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 25.5 tptp -67.3 -52.32 41.99 Favored 'General case' 0 C--N 1.323 -0.563 0 CA-C-N 115.217 -0.901 . . . . 0.0 110.55 -178.435 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 46' ' ' GLN . . . . . 0.487 ' O ' HG13 ' A' ' 50' ' ' ILE . 52.0 tp60 -61.13 -41.18 96.25 Favored 'General case' 0 C--N 1.323 -0.552 0 CA-C-N 115.652 -0.704 . . . . 0.0 111.098 -177.129 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 90.7 m -63.79 -34.12 77.2 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-O 120.872 0.367 . . . . 0.0 110.465 178.173 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 48' ' ' MET . . . . . . . . . . . . . 14.8 tpt -68.79 -41.43 78.76 Favored 'General case' 0 C--N 1.329 -0.313 0 N-CA-C 109.75 -0.463 . . . . 0.0 109.75 176.233 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 9.5 mp -60.93 -37.25 81.69 Favored 'General case' 0 C--N 1.332 -0.179 0 CA-C-N 115.867 -0.606 . . . . 0.0 110.355 174.926 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 50' ' ' ILE . . . . . 0.487 HG13 ' O ' ' A' ' 46' ' ' GLN . 81.3 mt -62.97 -30.89 50.71 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.389 0 CA-C-N 116.022 -0.535 . . . . 0.0 110.767 176.632 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 51' ' ' ASN . . . . . . . . . . . . . 94.4 m-20 -76.96 -36.76 56.28 Favored 'General case' 0 C--N 1.324 -0.527 0 CA-C-N 116.5 -0.318 . . . . 0.0 110.86 177.587 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 46.0 mt-10 -71.76 -50.81 26.65 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 121.06 0.457 . . . . 0.0 110.836 179.416 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 94.2 mttt -73.68 -21.51 60.23 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-N 115.857 -0.61 . . . . 0.0 110.405 179.434 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 42.8 mtmt 54.49 70.06 0.66 Allowed 'General case' 0 C--O 1.234 0.279 0 CA-C-N 115.415 -0.811 . . . . 0.0 110.099 -170.231 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 55' ' ' LEU . . . . . 0.45 ' HB2' HG23 ' A' ' 50' ' ' ILE . 76.8 mt -88.77 101.59 14.17 Favored 'General case' 0 C--N 1.326 -0.452 0 CA-C-N 115.366 -0.833 . . . . 0.0 110.347 -178.416 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 56' ' ' ASN . . . . . . . . . . . . . 46.6 t-20 -87.62 122.38 31.24 Favored 'General case' 0 C--N 1.318 -0.768 0 N-CA-C 108.956 -0.757 . . . . 0.0 108.956 175.987 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 57' ' ' MET . . . . . . . . . . . . . 25.7 mmt -79.16 19.94 0.53 Allowed 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.605 -175.739 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 58' ' ' MET . . . . . . . . . . . . . 27.2 ptt? -73.28 -24.38 60.43 Favored 'General case' 0 C--N 1.326 -0.448 0 CA-C-O 121.199 0.523 . . . . 0.0 109.615 173.722 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 59' ' ' ASN . . . . . . . . . . . . . 4.5 m-20 -116.2 138.04 51.62 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 115.603 -0.726 . . . . 0.0 110.247 178.062 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -65.35 -24.08 67.16 Favored 'General case' 0 C--N 1.326 -0.442 0 CA-C-N 115.927 -0.579 . . . . 0.0 111.249 -177.832 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 33.1 mt-10 -45.59 -53.39 9.18 Favored 'General case' 0 N--CA 1.465 0.316 0 O-C-N 123.664 0.603 . . . . 0.0 111.318 177.911 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 62' ' ' HIS . . . . . . . . . . . . . 78.2 m-70 -82.57 -19.98 37.46 Favored 'General case' 0 C--N 1.325 -0.478 0 CA-C-N 115.376 -0.829 . . . . 0.0 110.626 -172.623 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 63' ' ' ARG . . . . . . . . . . . . . 4.5 tmm_? -76.8 -32.01 57.35 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 116.057 -0.52 . . . . 0.0 109.758 178.661 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 7.7 mtpm? -77.31 -27.01 52.79 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.445 -0.343 . . . . 0.0 110.303 175.756 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 65' ' ' LEU . . . . . 0.495 ' O ' ' HG3' ' A' ' 69' ' ' GLU . 18.9 mt -58.87 -46.25 88.23 Favored 'General case' 0 C--N 1.329 -0.286 0 N-CA-C 109.591 -0.522 . . . . 0.0 109.591 170.373 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 52.0 tp -56.98 -43.61 81.84 Favored 'General case' 0 C--O 1.224 -0.282 0 CA-C-N 115.533 -0.758 . . . . 0.0 110.207 176.652 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 34.0 tt0 -56.07 -54.15 48.44 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 115.962 -0.563 . . . . 0.0 111.106 177.185 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 68' ' ' GLN . . . . . . . . . . . . . 28.4 mt-30 -59.09 -48.18 82.54 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 115.997 -0.547 . . . . 0.0 111.233 -177.878 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 69' ' ' GLU . . . . . 0.495 ' HG3' ' O ' ' A' ' 65' ' ' LEU . 29.8 mt-10 -66.53 -39.16 88.45 Favored 'General case' 0 C--O 1.235 0.341 0 CA-C-O 120.774 0.321 . . . . 0.0 110.479 -178.795 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 70' ' ' MET . . . . . 0.454 ' HA ' ' HE1' ' A' ' 42' ' ' TRP . 50.1 tpp -58.31 -57.21 13.89 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 115.996 -0.547 . . . . 0.0 111.023 178.797 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 71' ' ' VAL . . . . . . . . . . . . . 60.0 t -62.49 -31.99 53.75 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 115.959 -0.564 . . . . 0.0 110.382 -178.586 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 72' ' ' SER . . . . . 0.426 ' O ' ' HG2' ' A' ' 76' ' ' GLU . 32.5 t -65.1 -65.9 0.61 Allowed 'General case' 0 C--N 1.322 -0.604 0 CA-C-N 116.129 -0.487 . . . . 0.0 111.05 -179.347 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 73' ' ' PHE . . . . . . . . . . . . . 51.7 t80 -64.89 -36.76 85.39 Favored 'General case' 0 C--N 1.323 -0.55 0 N-CA-C 111.985 0.365 . . . . 0.0 111.985 -171.996 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 74' ' ' LEU . . . . . . . . . . . . . 78.0 mt -85.66 -35.18 21.07 Favored 'General case' 0 C--N 1.325 -0.462 0 N-CA-C 112.592 0.59 . . . . 0.0 112.592 -173.833 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 75' ' ' PHE . . . . . . . . . . . . . 96.3 m-85 -118.18 -43.89 2.72 Favored 'General case' 0 C--N 1.328 -0.329 0 N-CA-C 112.351 0.501 . . . . 0.0 112.351 -175.198 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 76' ' ' GLU . . . . . 0.426 ' HG2' ' O ' ' A' ' 72' ' ' SER . 19.3 mm-40 62.6 18.83 10.84 Favored 'General case' 0 N--CA 1.463 0.183 0 CA-C-O 121.21 0.528 . . . . 0.0 111.029 -171.476 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . -92.39 37.01 3.48 Favored Glycine 0 N--CA 1.445 -0.727 0 C-N-CA 120.839 -0.696 . . . . 0.0 112.128 -179.433 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 78' ' ' LYS . . . . . 0.401 ' O ' ' HD2' ' A' ' 78' ' ' LYS . 0.0 OUTLIER -124.74 161.67 25.9 Favored 'General case' 0 C--N 1.322 -0.605 0 N-CA-C 110.295 -0.261 . . . . 0.0 110.295 178.281 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 79' ' ' ASP . . . . . . . . . . . . . 2.0 p-10 -111.6 3.57 18.03 Favored 'General case' 0 C--N 1.322 -0.615 0 N-CA-C 109.645 -0.502 . . . . 0.0 109.645 174.651 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 80' ' ' VAL . . . . . . . . . . . . . 45.7 t . . . . . 0 N--CA 1.45 -0.453 0 CA-C-N 115.42 -0.809 . . . . 0.0 110.351 -179.592 . . . . . . . . 0 0 . 1 . 008 nuclear nobuild core ' A' A ' 3' ' ' ARG . . . . . . . . . . . . . 41.7 ttm180 . . . . . 0 C--O 1.234 0.288 0 N-CA-C 109.598 -0.519 . . . . 0.0 109.598 . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild core ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -87.83 105.63 17.54 Favored 'General case' 0 C--N 1.321 -0.664 0 CA-C-O 121.505 0.669 . . . . 0.0 111.32 -177.826 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 5' ' ' ILE . . . . . 0.451 ' H ' HG13 ' A' ' 5' ' ' ILE . 2.7 pp -106.34 151.59 8.28 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.699 0 CA-C-N 115.298 -0.865 . . . . 0.0 109.56 177.757 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 6' ' ' PHE . . . . . . . . . . . . . 70.7 m-85 -87.64 108.41 19.07 Favored 'General case' 0 C--N 1.316 -0.88 0 CA-C-O 121.147 0.498 . . . . 0.0 110.279 178.043 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 7' ' ' CYS . . . . . 0.418 ' HA ' ' O ' ' A' ' 33' ' ' GLU . 54.0 t -69.23 141.91 54.34 Favored 'General case' 0 C--N 1.324 -0.531 0 CA-C-N 115.255 -0.884 . . . . 0.0 111.092 -175.964 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 2.6 p -66.89 -47.06 72.99 Favored 'General case' 0 C--N 1.321 -0.635 0 CA-C-N 115.91 -0.586 . . . . 0.0 111.606 -179.364 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 9' ' ' TYR . . . . . . . . . . . . . 64.8 t80 -69.26 -44.1 72.6 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.43 -178.801 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 10' ' ' LEU . . . . . 0.41 ' O ' ' HB2' ' A' ' 11' ' ' GLN . 89.5 mt -80.19 -34.48 37.42 Favored 'General case' 0 C--N 1.325 -0.469 0 CA-C-N 116.494 -0.321 . . . . 0.0 111.527 -175.675 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 11' ' ' GLN . . . . . 0.41 ' HB2' ' O ' ' A' ' 10' ' ' LEU . 32.0 mm-40 67.16 13.69 9.51 Favored 'General case' 0 N--CA 1.47 0.543 0 CA-C-O 121.74 0.781 . . . . 0.0 109.568 -171.586 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 11.8 tpp180 -119.73 157.9 27.61 Favored 'General case' 0 C--N 1.322 -0.593 0 CA-C-N 114.763 -1.108 . . . . 0.0 109.215 -176.509 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 6.8 p-10 -65.9 132.48 48.75 Favored 'General case' 0 C--N 1.323 -0.549 0 CA-C-O 121.036 0.445 . . . . 0.0 109.905 174.507 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -141.88 175.58 9.6 Favored 'General case' 0 C--N 1.317 -0.832 0 CA-C-N 115.668 -0.696 . . . . 0.0 109.516 179.766 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 10.8 pt-20 -94.01 145.34 24.73 Favored 'General case' 0 C--N 1.317 -0.815 0 C-N-CA 120.667 -0.413 . . . . 0.0 110.32 -179.405 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . -59.44 131.39 51.26 Favored Glycine 0 N--CA 1.448 -0.501 0 N-CA-C 110.502 -1.039 . . . . 0.0 110.502 170.753 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 17' ' ' GLN . . . . . 0.404 HE21 ' HB3' ' A' ' 17' ' ' GLN . 22.4 mt-30 -60.84 -93.11 0.0 OUTLIER 'General case' 0 C--N 1.327 -0.385 0 N-CA-C 113.035 0.754 . . . . 0.0 113.035 -172.378 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 4.5 m-20 -143.33 -173.03 3.82 Favored 'General case' 0 C--N 1.323 -0.561 0 CA-C-N 115.943 -0.571 . . . . 0.0 111.048 -170.692 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 80.1 m-85 -101.45 179.74 4.27 Favored 'General case' 0 C--N 1.322 -0.606 0 CA-C-N 115.324 -0.853 . . . . 0.0 110.018 -179.291 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 0.9 OUTLIER -67.89 99.27 0.82 Allowed 'General case' 0 C--N 1.323 -0.566 0 CA-C-N 116.42 -0.355 . . . . 0.0 110.809 -179.839 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 21' ' ' LEU . . . . . 0.673 HD13 ' H ' ' A' ' 21' ' ' LEU . 0.0 OUTLIER -102.05 -14.7 17.02 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 116.006 -0.543 . . . . 0.0 110.505 175.592 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 22' ' ' TYR . . . . . 0.544 ' HB3' ' HD3' ' A' ' 23' ' ' PRO . 66.8 t80 -169.28 -51.65 0.0 OUTLIER Pre-proline 0 CA--C 1.534 0.356 0 CA-C-N 115.746 -0.661 . . . . 0.0 111.031 177.503 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 23' ' ' PRO . . . . . 0.544 ' HD3' ' HB3' ' A' ' 22' ' ' TYR . 13.9 Cg_exo -71.27 142.1 40.69 Favored 'Trans proline' 0 C--N 1.357 1.0 0 C-N-CA 121.82 1.68 . . . . 0.0 111.666 179.622 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -86.09 -138.79 5.04 Favored Glycine 0 N--CA 1.447 -0.595 0 C-N-CA 120.793 -0.718 . . . . 0.0 112.791 -175.248 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 10.9 pt-20 -62.84 -30.89 71.85 Favored 'General case' 0 C--N 1.327 -0.382 0 N-CA-C 111.706 0.262 . . . . 0.0 111.706 -176.132 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 53.3 tp -63.05 -49.13 75.76 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-O 120.919 0.39 . . . . 0.0 110.258 178.799 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . -67.06 -38.48 92.55 Favored Glycine 0 N--CA 1.448 -0.556 0 C-N-CA 120.797 -0.716 . . . . 0.0 111.752 178.695 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 57.4 tttp -57.59 -46.6 83.82 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-O 121.062 0.458 . . . . 0.0 110.524 178.065 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 16.0 ttp180 -56.42 -45.9 80.5 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 115.744 -0.662 . . . . 0.0 109.664 178.187 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 30' ' ' ILE . . . . . . . . . . . . . 75.7 mt -63.52 -33.36 61.01 Favored 'Isoleucine or valine' 0 C--O 1.224 -0.288 0 CA-C-N 115.584 -0.734 . . . . 0.0 111.332 179.945 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 31' ' ' TYR . . . . . . . . . . . . . 23.0 m-30 -68.27 -17.78 64.37 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-O 120.747 0.308 . . . . 0.0 110.974 178.552 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 32' ' ' ASN . . . . . . . . . . . . . 45.8 m-80 -90.51 -0.65 57.75 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-N 116.363 -0.381 . . . . 0.0 111.333 174.023 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 33' ' ' GLU . . . . . 0.418 ' O ' ' HA ' ' A' ' 7' ' ' CYS . 27.2 mt-10 -122.07 -35.0 3.23 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-O 121.204 0.526 . . . . 0.0 111.314 -177.089 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 34' ' ' ILE . . . . . . . . . . . . . 30.1 mm -115.07 148.39 17.83 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.835 0 CA-C-N 115.961 -0.563 . . . . 0.0 110.038 -177.934 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 8.6 t -108.12 173.35 6.36 Favored 'General case' 0 N--CA 1.445 -0.686 0 CA-C-O 120.906 0.384 . . . . 0.0 110.107 175.647 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 84.0 mttt -55.84 -35.47 66.45 Favored 'General case' 0 C--N 1.323 -0.546 0 CA-C-N 115.252 -0.886 . . . . 0.0 112.856 -172.141 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 37' ' ' ASP . . . . . 0.522 ' O ' ' HG2' ' A' ' 41' ' ' GLN . 14.9 t70 -66.21 -59.93 3.28 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-O 120.674 0.273 . . . . 0.0 110.638 -177.809 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -60.58 -37.12 80.31 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.021 -0.536 . . . . 0.0 110.937 -179.366 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 39' ' ' TRP . . . . . 0.569 ' O ' ' HG3' ' A' ' 43' ' ' GLN . 72.8 t-105 -60.0 -53.26 59.89 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-N 115.793 -0.639 . . . . 0.0 110.47 178.068 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -64.57 -39.31 93.51 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-N 116.079 -0.51 . . . . 0.0 111.382 -178.923 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 41' ' ' GLN . . . . . 0.522 ' HG2' ' O ' ' A' ' 37' ' ' ASP . 25.9 mm-40 -67.13 -41.58 85.9 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.369 -0.378 . . . . 0.0 111.168 -177.842 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 42' ' ' TRP . . . . . 0.481 ' HE1' ' HA ' ' A' ' 70' ' ' MET . 35.0 t-105 -68.07 -40.86 82.62 Favored 'General case' 0 C--N 1.327 -0.395 0 C-N-CA 120.736 -0.385 . . . . 0.0 110.926 -178.84 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 43' ' ' GLN . . . . . 0.569 ' HG3' ' O ' ' A' ' 39' ' ' TRP . 38.7 mt-30 -63.49 -42.03 98.54 Favored 'General case' 0 C--N 1.328 -0.358 0 C-N-CA 120.723 -0.391 . . . . 0.0 109.996 178.354 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 44' ' ' HIS . . . . . . . . . . . . . 28.7 t-80 -56.5 -50.47 71.71 Favored 'General case' 0 C--N 1.326 -0.456 0 CA-C-N 115.733 -0.667 . . . . 0.0 110.277 177.975 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 45' ' ' LYS . . . . . 0.517 ' O ' ' HG ' ' A' ' 49' ' ' LEU . 57.8 tptt -63.66 -52.79 59.17 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-N 115.484 -0.78 . . . . 0.0 111.142 179.646 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 46' ' ' GLN . . . . . 0.584 ' O ' HG13 ' A' ' 50' ' ' ILE . 57.5 tp60 -59.96 -41.8 92.69 Favored 'General case' 0 C--N 1.325 -0.465 0 CA-C-N 115.983 -0.553 . . . . 0.0 111.498 -176.186 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 44.5 m -63.42 -38.56 91.61 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 120.746 0.308 . . . . 0.0 111.065 179.867 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 48' ' ' MET . . . . . . . . . . . . . 53.2 tpp -64.95 -37.73 88.62 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 121.229 0.538 . . . . 0.0 109.724 176.41 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 49' ' ' LEU . . . . . 0.517 ' HG ' ' O ' ' A' ' 45' ' ' LYS . 88.0 mt -68.6 -33.37 73.93 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 115.732 -0.667 . . . . 0.0 110.605 178.3 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 50' ' ' ILE . . . . . 0.584 HG13 ' O ' ' A' ' 46' ' ' GLN . 88.0 mt -62.79 -34.73 67.4 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 CA-C-O 120.93 0.395 . . . . 0.0 110.58 177.06 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 51' ' ' ASN . . . . . . . . . . . . . 90.7 m-20 -64.5 -39.43 93.77 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 115.979 -0.555 . . . . 0.0 110.49 177.867 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 5.9 mm-40 -82.9 -38.61 22.65 Favored 'General case' 0 C--N 1.325 -0.461 0 CA-C-N 115.54 -0.755 . . . . 0.0 111.686 -176.892 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 94.2 mttt -74.86 -25.69 59.15 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-N 116.623 -0.262 . . . . 0.0 110.664 179.051 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 38.1 mtmt 58.16 38.65 26.39 Favored 'General case' 0 C--O 1.234 0.249 0 CA-C-O 121.609 0.719 . . . . 0.0 110.334 -179.078 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 55' ' ' LEU . . . . . 0.401 ' HB2' ' HB3' ' A' ' 62' ' ' HIS . 4.6 pp -85.01 141.28 30.42 Favored 'General case' 0 N--CA 1.448 -0.528 0 CA-C-N 115.072 -0.967 . . . . 0.0 110.082 -179.783 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 56' ' ' ASN . . . . . . . . . . . . . 51.0 m-80 -117.48 146.33 43.58 Favored 'General case' 0 C--N 1.32 -0.687 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.183 178.052 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 57' ' ' MET . . . . . . . . . . . . . 1.7 mpt? -77.5 -8.32 57.61 Favored 'General case' 0 C--N 1.325 -0.477 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.447 -179.026 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 58' ' ' MET . . . . . . . . . . . . . 65.9 mtm -66.49 -28.74 68.81 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-N 115.78 -0.645 . . . . 0.0 109.766 173.388 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 59' ' ' ASN . . . . . . . . . . . . . 16.6 m120 -86.18 118.57 25.72 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-N 115.547 -0.752 . . . . 0.0 110.128 178.971 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 60' ' ' ALA . . . . . 0.427 ' O ' ' HG2' ' A' ' 64' ' ' LYS . . . -54.17 -37.15 64.13 Favored 'General case' 0 C--N 1.329 -0.308 0 O-C-N 123.386 0.429 . . . . 0.0 110.759 178.771 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 61' ' ' GLU . . . . . 0.494 ' O ' ' HB2' ' A' ' 65' ' ' LEU . 34.0 tt0 -56.37 -48.18 77.36 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 115.382 -0.826 . . . . 0.0 111.808 178.072 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 62' ' ' HIS . . . . . 0.401 ' HB3' ' HB2' ' A' ' 55' ' ' LEU . 92.7 m-70 -82.45 -33.05 28.67 Favored 'General case' 0 C--N 1.325 -0.464 0 N-CA-C 112.41 0.522 . . . . 0.0 112.41 -169.332 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 63' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -64.3 -45.14 89.26 Favored 'General case' 0 C--N 1.328 -0.349 0 C-N-CA 120.457 -0.497 . . . . 0.0 111.063 179.687 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 64' ' ' LYS . . . . . 0.506 ' O ' ' HG3' ' A' ' 68' ' ' GLN . 64.4 pttt -74.41 -28.14 60.94 Favored 'General case' 0 C--N 1.329 -0.294 0 C-N-CA 120.7 -0.4 . . . . 0.0 110.206 178.97 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 65' ' ' LEU . . . . . 0.494 ' HB2' ' O ' ' A' ' 61' ' ' GLU . 0.9 OUTLIER -63.29 -45.49 91.16 Favored 'General case' 0 C--N 1.331 -0.232 0 N-CA-C 108.954 -0.758 . . . . 0.0 108.954 176.786 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 8.1 tt -62.43 -40.01 95.17 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 115.677 -0.692 . . . . 0.0 109.858 177.581 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 30.8 tt0 -57.67 -47.94 80.89 Favored 'General case' 0 C--O 1.233 0.234 0 CA-C-N 115.862 -0.608 . . . . 0.0 109.916 175.487 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 68' ' ' GLN . . . . . 0.506 ' HG3' ' O ' ' A' ' 64' ' ' LYS . 27.7 mt-30 -58.73 -45.03 90.53 Favored 'General case' 0 N--CA 1.453 -0.323 0 CA-C-N 115.696 -0.684 . . . . 0.0 110.774 177.789 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 16.8 mt-10 -58.6 -46.88 86.07 Favored 'General case' 0 N--CA 1.463 0.191 0 CA-C-O 120.716 0.293 . . . . 0.0 110.855 179.109 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 70' ' ' MET . . . . . 0.481 ' HA ' ' HE1' ' A' ' 42' ' ' TRP . 38.2 mtt -59.28 -52.69 64.57 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.429 -0.35 . . . . 0.0 111.166 178.877 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 71' ' ' VAL . . . . . 0.446 ' O ' ' HB3' ' A' ' 75' ' ' PHE . 61.6 t -68.93 -21.12 25.36 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.509 0 CA-C-N 116.524 -0.307 . . . . 0.0 111.602 -175.964 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 72' ' ' SER . . . . . 0.433 ' O ' ' HA ' ' A' ' 76' ' ' GLU . 42.4 m -86.34 -19.29 30.01 Favored 'General case' 0 C--N 1.324 -0.527 0 O-C-N 121.875 -0.516 . . . . 0.0 111.422 179.288 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 73' ' ' PHE . . . . . . . . . . . . . 54.7 t80 -100.26 -51.6 3.61 Favored 'General case' 0 C--N 1.325 -0.494 0 CA-C-O 121.029 0.442 . . . . 0.0 110.58 178.521 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 74' ' ' LEU . . . . . . . . . . . . . 94.9 mt -73.94 -31.7 63.17 Favored 'General case' 0 C--N 1.327 -0.413 0 CA-C-N 115.896 -0.593 . . . . 0.0 111.414 -175.917 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 75' ' ' PHE . . . . . 0.535 ' O ' ' HG2' ' A' ' 76' ' ' GLU . 68.0 t80 -112.52 -43.35 3.5 Favored 'General case' 0 C--N 1.326 -0.414 0 N-CA-C 110.268 -0.271 . . . . 0.0 110.268 -178.599 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 76' ' ' GLU . . . . . 0.535 ' HG2' ' O ' ' A' ' 75' ' ' PHE . 2.6 pt-20 73.11 -28.48 0.19 Allowed 'General case' 0 N--CA 1.477 0.908 0 C-N-CA 124.945 1.298 . . . . 0.0 112.815 173.262 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . -90.14 49.74 3.3 Favored Glycine 0 N--CA 1.447 -0.619 0 C-N-CA 120.711 -0.756 . . . . 0.0 113.319 -176.79 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 78' ' ' LYS . . . . . 0.438 ' HE2' ' HB ' ' A' ' 71' ' ' VAL . 0.0 OUTLIER -118.32 145.58 44.99 Favored 'General case' 0 C--N 1.327 -0.393 0 N-CA-C 109.565 -0.532 . . . . 0.0 109.565 176.263 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 79' ' ' ASP . . . . . . . . . . . . . 16.9 p-10 -96.04 -10.35 28.68 Favored 'General case' 0 C--N 1.324 -0.516 0 N-CA-C 112.111 0.412 . . . . 0.0 112.111 -172.279 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 80' ' ' VAL . . . . . . . . . . . . . 60.7 t . . . . . 0 C--N 1.326 -0.433 0 N-CA-C 109.729 -0.471 . . . . 0.0 109.729 176.332 . . . . . . . . 0 0 . 1 . 009 nuclear nobuild core ' A' A ' 3' ' ' ARG . . . . . 0.415 HH11 ' HD2' ' A' ' 3' ' ' ARG . 0.0 OUTLIER . . . . . 0 N--CA 1.453 -0.279 0 N-CA-C 109.907 -0.405 . . . . 0.0 109.907 . . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 16.9 p -99.78 139.26 35.7 Favored 'General case' 0 C--N 1.321 -0.654 0 CA-C-O 121.071 0.462 . . . . 0.0 111.361 179.922 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 5' ' ' ILE . . . . . . . . . . . . . 43.6 pt -129.31 157.27 42.11 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.576 0 CA-C-N 115.914 -0.585 . . . . 0.0 110.245 -179.474 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 6' ' ' PHE . . . . . . . . . . . . . 88.7 m-85 -85.23 94.56 8.93 Favored 'General case' 0 C--N 1.321 -0.658 0 N-CA-C 109.522 -0.547 . . . . 0.0 109.522 173.293 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 7' ' ' CYS . . . . . 0.569 ' HA ' ' O ' ' A' ' 33' ' ' GLU . 42.1 t -68.59 123.93 22.22 Favored 'General case' 0 C--N 1.322 -0.59 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.215 -178.04 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 5.4 p -55.53 -44.28 76.55 Favored 'General case' 0 C--N 1.325 -0.499 0 CA-C-N 116.029 -0.532 . . . . 0.0 111.948 -178.022 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 9' ' ' TYR . . . . . . . . . . . . . 74.3 t80 -71.81 -31.79 66.93 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-N 115.942 -0.572 . . . . 0.0 111.577 -175.877 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 91.5 mt -94.34 -26.87 16.38 Favored 'General case' 0 C--N 1.328 -0.363 0 C-N-CA 121.002 -0.279 . . . . 0.0 111.533 -175.982 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 28.7 mm-40 66.77 16.99 10.51 Favored 'General case' 0 N--CA 1.466 0.373 0 C-N-CA 123.115 0.566 . . . . 0.0 111.659 179.79 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 59.4 mtp180 -139.5 -179.24 5.79 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.724 -0.216 . . . . 0.0 110.6 -179.8 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 7.9 m-20 -68.11 116.52 8.82 Favored 'General case' 0 C--O 1.233 0.197 0 CA-C-N 115.934 -0.575 . . . . 0.0 110.753 178.176 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -123.72 179.55 4.75 Favored 'General case' 0 C--N 1.317 -0.828 0 N-CA-C 109.127 -0.694 . . . . 0.0 109.127 175.709 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 13.1 pt-20 -96.27 140.51 30.85 Favored 'General case' 0 C--N 1.32 -0.713 0 C-N-CA 120.198 -0.601 . . . . 0.0 110.209 179.366 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . -63.8 142.13 46.19 Favored Glycine 0 N--CA 1.446 -0.695 0 C-N-CA 120.877 -0.678 . . . . 0.0 111.751 179.296 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 17' ' ' GLN . . . . . . . . . . . . . 0.6 OUTLIER -70.24 -167.89 0.19 Allowed 'General case' 0 C--N 1.325 -0.475 0 CA-C-O 121.22 0.534 . . . . 0.0 111.657 -179.114 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 1.1 t70 -76.57 -168.78 1.06 Allowed 'General case' 0 C--N 1.321 -0.645 0 CA-C-N 115.556 -0.747 . . . . 0.0 111.391 -174.35 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 99.0 m-85 -95.96 -177.05 3.89 Favored 'General case' 0 C--N 1.32 -0.676 0 CA-C-N 115.792 -0.64 . . . . 0.0 110.288 -179.254 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 8.8 mm100 -79.05 88.12 4.81 Favored 'General case' 0 C--N 1.324 -0.5 0 CA-C-O 121.223 0.535 . . . . 0.0 110.653 -177.556 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -85.27 -18.94 32.43 Favored 'General case' 0 C--N 1.323 -0.581 0 CA-C-N 115.424 -0.807 . . . . 0.0 111.235 178.338 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 22' ' ' TYR . . . . . 0.496 ' HB3' ' HD3' ' A' ' 23' ' ' PRO . 87.3 t80 -154.51 -53.08 0.02 OUTLIER Pre-proline 0 CA--C 1.537 0.48 0 N-CA-C 112.267 0.469 . . . . 0.0 112.267 -179.695 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 23' ' ' PRO . . . . . 0.497 ' HB2' ' HA3' ' A' ' 27' ' ' GLY . 12.2 Cg_exo -72.21 162.59 41.22 Favored 'Trans proline' 0 C--N 1.354 0.843 0 C-N-CA 122.02 1.813 . . . . 0.0 112.477 -176.54 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -101.52 -133.24 8.03 Favored Glycine 0 N--CA 1.446 -0.678 0 C-N-CA 120.696 -0.764 . . . . 0.0 112.277 -179.469 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 8.0 mp0 -59.48 -45.79 90.63 Favored 'General case' 0 C--N 1.327 -0.397 0 C-N-CA 122.698 0.399 . . . . 0.0 111.544 -175.79 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 60.2 tp -63.18 -46.42 87.19 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-N 115.982 -0.554 . . . . 0.0 110.951 -177.479 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 27' ' ' GLY . . . . . 0.497 ' HA3' ' HB2' ' A' ' 23' ' ' PRO . . . -67.12 -34.13 85.39 Favored Glycine 0 N--CA 1.45 -0.41 0 C-N-CA 120.616 -0.802 . . . . 0.0 111.792 -179.864 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 38.7 ttpt -62.14 -43.1 99.57 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-O 120.881 0.372 . . . . 0.0 110.022 177.198 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 19.5 ttp180 -55.09 -45.51 75.44 Favored 'General case' 0 C--N 1.333 -0.143 0 CA-C-N 115.866 -0.606 . . . . 0.0 109.866 178.328 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 30' ' ' ILE . . . . . . . . . . . . . 45.4 mt -61.15 -39.57 82.86 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.249 0 CA-C-N 115.842 -0.617 . . . . 0.0 110.751 179.013 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 31' ' ' TYR . . . . . . . . . . . . . 21.7 m-85 -74.8 -8.82 57.6 Favored 'General case' 0 C--N 1.325 -0.459 0 CA-C-O 120.76 0.314 . . . . 0.0 111.323 -179.95 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 32' ' ' ASN . . . . . . . . . . . . . 1.0 OUTLIER -94.48 -24.31 17.35 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.366 -0.379 . . . . 0.0 110.831 176.074 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 33' ' ' GLU . . . . . 0.569 ' O ' ' HA ' ' A' ' 7' ' ' CYS . 41.1 mt-10 -106.22 -24.89 12.19 Favored 'General case' 0 C--N 1.325 -0.491 0 CA-C-O 121.074 0.464 . . . . 0.0 111.477 -176.252 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 34' ' ' ILE . . . . . . . . . . . . . 22.6 mm -114.39 128.97 71.19 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.618 0 CA-C-O 121.256 0.55 . . . . 0.0 111.823 -176.117 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 35.5 t -78.77 167.09 21.7 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-N 115.304 -0.862 . . . . 0.0 110.273 176.979 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 83.1 mttt -60.22 -32.05 70.76 Favored 'General case' 0 C--N 1.322 -0.598 0 CA-C-N 115.654 -0.703 . . . . 0.0 109.972 178.136 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 6.5 m-20 -58.92 -61.74 2.41 Favored 'General case' 0 N--CA 1.463 0.183 0 CA-C-N 115.534 -0.757 . . . . 0.0 110.837 179.197 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -64.22 -37.25 86.81 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 115.661 -0.699 . . . . 0.0 110.951 -177.967 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 39' ' ' TRP . . . . . . . . . . . . . 67.4 t-105 -63.48 -45.9 88.62 Favored 'General case' 0 C--N 1.326 -0.439 0 CA-C-N 116.053 -0.522 . . . . 0.0 110.563 -179.29 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -71.11 -39.86 71.8 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-N 116.402 -0.363 . . . . 0.0 110.756 -179.928 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 1.0 OUTLIER -63.07 -44.77 94.87 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-N 115.967 -0.561 . . . . 0.0 110.768 -178.213 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 42' ' ' TRP . . . . . . . . . . . . . 18.9 t-105 -64.9 -43.31 93.26 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.615 -0.266 . . . . 0.0 110.899 -179.132 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 43' ' ' GLN . . . . . . . . . . . . . 48.1 mt-30 -63.44 -41.81 98.66 Favored 'General case' 0 C--N 1.329 -0.3 0 C-N-CA 121.134 -0.227 . . . . 0.0 110.583 178.977 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 44' ' ' HIS . . . . . . . . . . . . . 20.2 t60 -60.58 -46.25 90.94 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.101 178.226 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -64.86 -48.05 75.71 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-N 115.987 -0.551 . . . . 0.0 110.763 179.621 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 46' ' ' GLN . . . . . 0.575 ' O ' HG13 ' A' ' 50' ' ' ILE . 53.1 tp60 -62.8 -41.43 99.27 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 116.074 -0.512 . . . . 0.0 111.211 -177.679 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 75.0 m -59.45 -40.74 87.83 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 120.677 0.275 . . . . 0.0 110.587 178.203 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 48' ' ' MET . . . . . . . . . . . . . 15.8 tpt -58.94 -46.53 87.76 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.088 175.718 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 10.6 mp -63.95 -36.99 85.78 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 115.839 -0.619 . . . . 0.0 111.067 179.352 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 50' ' ' ILE . . . . . 0.575 HG13 ' O ' ' A' ' 46' ' ' GLN . 79.0 mt -60.93 -36.12 69.72 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.241 0 CA-C-O 120.73 0.3 . . . . 0.0 110.21 177.52 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 51' ' ' ASN . . . . . . . . . . . . . 87.3 m-20 -69.89 -50.93 37.53 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.003 -0.544 . . . . 0.0 110.567 177.747 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 42.5 mt-10 -61.25 -45.58 93.94 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 115.646 -0.706 . . . . 0.0 111.359 -177.419 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 94.0 mttt -82.48 -17.6 44.62 Favored 'General case' 0 C--N 1.325 -0.47 0 CA-C-N 116.081 -0.509 . . . . 0.0 110.836 -177.333 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 26.4 tptp 54.9 59.38 4.1 Favored 'General case' 0 CA--C 1.531 0.244 0 CA-C-O 121.615 0.721 . . . . 0.0 110.219 -178.019 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 84.1 mt -75.71 141.0 42.76 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-N 115.409 -0.814 . . . . 0.0 111.779 -174.051 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 56' ' ' ASN . . . . . . . . . . . . . 23.7 t-20 -99.94 114.4 27.63 Favored 'General case' 0 C--N 1.325 -0.493 0 CA-C-N 115.69 -0.686 . . . . 0.0 110.041 176.549 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 57' ' ' MET . . . . . . . . . . . . . 22.8 mmt -92.63 41.49 1.08 Allowed 'General case' 0 C--N 1.321 -0.659 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.777 -173.577 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 58' ' ' MET . . . . . . . . . . . . . 79.7 mtp -97.96 -39.47 8.95 Favored 'General case' 0 C--N 1.326 -0.455 0 CA-C-O 120.903 0.382 . . . . 0.0 110.245 172.738 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 59' ' ' ASN . . . . . . . . . . . . . 75.9 m-20 -88.16 154.84 20.13 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.779 -177.121 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -75.75 -7.88 55.47 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.278 -0.419 . . . . 0.0 111.127 179.548 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 37.9 mt-10 -54.11 -53.58 51.27 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 115.717 -0.674 . . . . 0.0 110.838 178.837 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 62' ' ' HIS . . . . . . . . . . . . . 95.7 m-70 -79.33 -19.09 51.2 Favored 'General case' 0 C--N 1.326 -0.456 0 CA-C-N 115.747 -0.66 . . . . 0.0 110.455 -177.91 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 63' ' ' ARG . . . . . . . . . . . . . 23.9 tpp180 -66.62 -51.91 51.06 Favored 'General case' 0 C--O 1.235 0.314 0 CA-C-N 116.069 -0.514 . . . . 0.0 110.179 179.104 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 52.3 pttt -69.23 -31.04 69.35 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.055 178.535 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 57.9 tp -57.45 -56.23 24.49 Favored 'General case' 0 N--CA 1.457 -0.119 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.732 178.425 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 10.2 mp -59.98 -33.21 71.65 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 115.988 -0.551 . . . . 0.0 110.986 179.526 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 32.7 tt0 -63.67 -52.33 61.18 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-O 121.026 0.441 . . . . 0.0 110.342 176.908 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 68' ' ' GLN . . . . . . . . . . . . . 56.1 mt-30 -61.87 -45.8 92.19 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-N 116.055 -0.52 . . . . 0.0 111.367 -179.975 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 20.7 mt-10 -68.23 -29.33 68.13 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.6 0.238 . . . . 0.0 110.97 -179.287 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 70' ' ' MET . . . . . . . . . . . . . 47.3 ttm -64.52 -51.76 61.25 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 116.483 -0.326 . . . . 0.0 110.243 176.679 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 71' ' ' VAL . . . . . 0.444 HG12 ' HB3' ' A' ' 78' ' ' LYS . 58.5 t -63.2 -36.52 76.31 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.375 0 CA-C-N 116.13 -0.487 . . . . 0.0 110.48 -179.943 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 34.8 m -66.42 -53.13 39.17 Favored 'General case' 0 C--N 1.325 -0.474 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.953 178.834 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 73' ' ' PHE . . . . . . . . . . . . . 59.0 t80 -70.51 -47.53 59.99 Favored 'General case' 0 C--N 1.325 -0.478 0 CA-C-N 116.486 -0.324 . . . . 0.0 111.616 -174.303 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 74' ' ' LEU . . . . . . . . . . . . . 70.3 mt -81.93 -33.4 30.39 Favored 'General case' 0 C--N 1.324 -0.54 0 N-CA-C 112.804 0.668 . . . . 0.0 112.804 -172.036 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 75' ' ' PHE . . . . . . . . . . . . . 29.3 m-85 -108.85 -30.12 8.3 Favored 'General case' 0 C--N 1.327 -0.38 0 N-CA-C 112.619 0.6 . . . . 0.0 112.619 -174.443 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 6.6 mm-40 64.06 13.07 7.46 Favored 'General case' 0 N--CA 1.469 0.519 0 CA-C-O 120.883 0.373 . . . . 0.0 111.236 -178.513 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . -132.29 71.43 0.5 Allowed Glycine 0 N--CA 1.449 -0.498 0 C-N-CA 120.797 -0.716 . . . . 0.0 112.319 -176.618 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 78' ' ' LYS . . . . . 0.533 ' HD2' ' O ' ' A' ' 78' ' ' LYS . 0.1 OUTLIER -124.52 152.71 43.1 Favored 'General case' 0 C--N 1.324 -0.503 0 CA-C-O 120.832 0.349 . . . . 0.0 110.962 -179.584 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 79' ' ' ASP . . . . . . . . . . . . . 10.6 m-20 -115.35 -11.69 11.86 Favored 'General case' 0 C--N 1.324 -0.537 0 CA-C-N 116.043 -0.526 . . . . 0.0 110.789 178.587 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 80' ' ' VAL . . . . . . . . . . . . . 13.4 t . . . . . 0 C--N 1.327 -0.409 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.132 -179.558 . . . . . . . . 0 0 . 1 . 010 nuclear nobuild core ' A' A ' 3' ' ' ARG . . . . . . . . . . . . . 43.2 ttm180 . . . . . 0 C--O 1.233 0.189 0 N-CA-C 109.27 -0.641 . . . . 0.0 109.27 . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild core ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 5.3 m -80.37 104.69 11.09 Favored 'General case' 0 C--N 1.323 -0.549 0 CA-C-N 115.993 -0.549 . . . . 0.0 111.668 -174.019 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 5' ' ' ILE . . . . . . . . . . . . . 2.8 pp -120.63 159.08 22.56 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.642 0 CA-C-N 116.109 -0.496 . . . . 0.0 109.853 175.472 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 6' ' ' PHE . . . . . . . . . . . . . 96.5 m-85 -98.53 100.93 12.22 Favored 'General case' 0 C--N 1.318 -0.772 0 N-CA-C 109.701 -0.481 . . . . 0.0 109.701 177.302 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 7' ' ' CYS . . . . . 0.711 ' SG ' ' HB2' ' A' ' 10' ' ' LEU . 4.3 p -73.19 136.34 44.7 Favored 'General case' 0 C--N 1.324 -0.54 0 CA-C-N 115.592 -0.731 . . . . 0.0 111.116 -176.206 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 9.5 p -61.52 -35.82 78.81 Favored 'General case' 0 C--N 1.323 -0.549 0 CA-C-N 115.763 -0.653 . . . . 0.0 112.191 -176.368 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 9' ' ' TYR . . . . . . . . . . . . . 71.8 t80 -71.8 -44.36 64.07 Favored 'General case' 0 C--N 1.328 -0.359 0 N-CA-C 111.826 0.306 . . . . 0.0 111.826 -176.145 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 10' ' ' LEU . . . . . 0.711 ' HB2' ' SG ' ' A' ' 7' ' ' CYS . 7.0 mp -88.71 -26.27 21.89 Favored 'General case' 0 N--CA 1.465 0.28 0 C-N-CA 121.059 -0.256 . . . . 0.0 111.313 -176.525 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 29.0 mm-40 68.07 16.77 9.5 Favored 'General case' 0 N--CA 1.465 0.324 0 CA-C-O 121.212 0.529 . . . . 0.0 110.961 -179.268 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 97.5 mtt180 -125.58 172.91 9.33 Favored 'General case' 0 C--N 1.323 -0.549 0 CA-C-N 115.91 -0.586 . . . . 0.0 109.487 179.82 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 4.1 p-10 -78.22 128.92 34.45 Favored 'General case' 0 C--N 1.319 -0.755 0 CA-C-O 121.201 0.524 . . . . 0.0 109.761 175.406 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -148.74 -179.83 7.28 Favored 'General case' 0 C--N 1.315 -0.923 0 CA-C-N 115.582 -0.735 . . . . 0.0 109.81 -178.344 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 17.3 pt-20 -85.75 145.51 27.22 Favored 'General case' 0 C--N 1.316 -0.85 0 CA-C-N 116.525 -0.307 . . . . 0.0 110.5 -177.05 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . -66.6 167.59 37.02 Favored Glycine 0 N--CA 1.448 -0.516 0 C-N-CA 120.777 -0.725 . . . . 0.0 111.609 174.089 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 17' ' ' GLN . . . . . 0.52 ' HA ' ' HG3' ' A' ' 36' ' ' LYS . 30.9 mt-30 -75.49 -111.16 0.01 OUTLIER 'General case' 0 C--N 1.323 -0.582 0 N-CA-C 112.42 0.526 . . . . 0.0 112.42 -177.78 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 3.9 m-20 -136.69 -164.78 1.63 Allowed 'General case' 0 C--N 1.322 -0.609 0 CA-C-O 121.015 0.436 . . . . 0.0 110.766 -170.325 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 19' ' ' PHE . . . . . 0.454 ' O ' ' HG ' ' A' ' 21' ' ' LEU . 38.1 p90 -92.0 175.72 6.77 Favored 'General case' 0 C--N 1.322 -0.614 0 CA-C-N 115.753 -0.658 . . . . 0.0 110.042 176.501 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 14.4 mm100 -72.16 96.01 1.73 Allowed 'General case' 0 C--N 1.325 -0.494 0 CA-C-O 120.963 0.411 . . . . 0.0 110.148 178.448 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 21' ' ' LEU . . . . . 0.454 ' HG ' ' O ' ' A' ' 19' ' ' PHE . 0.7 OUTLIER -116.93 -11.23 10.84 Favored 'General case' 0 C--N 1.325 -0.459 0 CA-C-N 116.013 -0.54 . . . . 0.0 112.346 -176.256 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 22' ' ' TYR . . . . . 0.52 ' HB3' ' HD3' ' A' ' 23' ' ' PRO . 43.2 t80 -153.42 -53.63 0.02 OUTLIER Pre-proline 0 C--N 1.327 -0.402 0 N-CA-C 111.814 0.301 . . . . 0.0 111.814 -177.579 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 23' ' ' PRO . . . . . 0.562 ' HB2' ' HA3' ' A' ' 27' ' ' GLY . 10.2 Cg_endo -89.2 173.65 3.89 Favored 'Trans proline' 0 N--CA 1.453 -0.875 0 C-N-CA 121.922 1.748 . . . . 0.0 112.1 -179.142 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -111.86 -120.76 3.93 Favored Glycine 0 N--CA 1.447 -0.57 0 C-N-CA 120.698 -0.763 . . . . 0.0 112.629 -177.447 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 25' ' ' GLU . . . . . 0.434 ' O ' ' HG2' ' A' ' 28' ' ' LYS . 42.6 mt-10 -63.81 -45.33 90.09 Favored 'General case' 0 C--O 1.236 0.359 0 CA-C-O 120.719 0.295 . . . . 0.0 111.405 -175.279 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 54.5 tp -63.21 -32.18 73.52 Favored 'General case' 0 C--N 1.328 -0.365 0 N-CA-C 109.614 -0.513 . . . . 0.0 109.614 176.673 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 27' ' ' GLY . . . . . 0.562 ' HA3' ' HB2' ' A' ' 23' ' ' PRO . . . -63.25 -56.4 20.39 Favored Glycine 0 N--CA 1.447 -0.575 0 CA-C-N 115.592 -0.731 . . . . 0.0 112.741 179.38 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 28' ' ' LYS . . . . . 0.434 ' HG2' ' O ' ' A' ' 25' ' ' GLU . 21.7 ptmt -58.04 -34.04 69.65 Favored 'General case' 0 C--O 1.238 0.49 0 CA-C-O 120.822 0.344 . . . . 0.0 110.837 -176.661 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 29' ' ' ARG . . . . . 0.562 ' O ' ' HG2' ' A' ' 33' ' ' GLU . 32.8 ttt180 -59.22 -57.94 10.81 Favored 'General case' 0 N--CA 1.452 -0.357 0 CA-C-N 116.349 -0.387 . . . . 0.0 110.014 175.276 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 30' ' ' ILE . . . . . 0.465 ' O ' ' HB ' ' A' ' 34' ' ' ILE . 70.9 mt -59.25 -37.1 67.01 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.407 0 CA-C-O 121.109 0.481 . . . . 0.0 110.661 -179.29 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 31' ' ' TYR . . . . . . . . . . . . . 3.1 m-85 -66.71 -20.81 66.05 Favored 'General case' 0 C--N 1.323 -0.583 0 N-CA-C 112.609 0.596 . . . . 0.0 112.609 -177.092 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 32' ' ' ASN . . . . . . . . . . . . . 6.0 p30 -103.58 -12.46 17.06 Favored 'General case' 0 CA--C 1.534 0.342 0 C-N-CA 119.803 -0.759 . . . . 0.0 112.52 179.546 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 33' ' ' GLU . . . . . 0.562 ' HG2' ' O ' ' A' ' 29' ' ' ARG . 6.8 pt-20 -116.27 -3.72 11.95 Favored 'General case' 0 N--CA 1.468 0.444 0 CA-C-O 121.053 0.454 . . . . 0.0 111.57 178.182 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 34' ' ' ILE . . . . . 0.465 ' HB ' ' O ' ' A' ' 30' ' ' ILE . 12.7 mm -127.83 134.6 65.01 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.578 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.29 175.71 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 16.2 m -85.6 160.23 19.67 Favored 'General case' 0 C--N 1.322 -0.606 0 CA-C-N 116.041 -0.527 . . . . 0.0 110.945 178.938 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 36' ' ' LYS . . . . . 0.52 ' HG3' ' HA ' ' A' ' 17' ' ' GLN . 45.3 mttm -49.71 -43.64 47.71 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-N 115.586 -0.734 . . . . 0.0 111.12 178.52 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 2.4 m-20 -58.49 -53.67 55.68 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 115.465 -0.789 . . . . 0.0 111.385 -178.866 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -62.7 -38.93 92.37 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.034 -0.53 . . . . 0.0 110.973 -177.948 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 39' ' ' TRP . . . . . 0.424 ' O ' ' HG3' ' A' ' 43' ' ' GLN . 76.4 t-105 -64.62 -44.75 89.55 Favored 'General case' 0 C--N 1.326 -0.453 0 CA-C-N 115.854 -0.612 . . . . 0.0 110.293 177.982 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -62.24 -39.68 93.66 Favored 'General case' 0 C--O 1.235 0.325 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.818 178.993 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 41' ' ' GLN . . . . . 0.58 ' HA ' HE21 ' A' ' 41' ' ' GLN . 0.0 OUTLIER -60.4 -45.64 92.83 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 115.939 -0.573 . . . . 0.0 110.568 177.268 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 42' ' ' TRP . . . . . . . . . . . . . 22.5 t-105 -63.71 -43.92 95.15 Favored 'General case' 0 N--CA 1.453 -0.301 0 CA-C-N 116.545 -0.298 . . . . 0.0 110.961 178.971 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 43' ' ' GLN . . . . . 0.424 ' HG3' ' O ' ' A' ' 39' ' ' TRP . 45.9 mt-30 -55.2 -45.64 75.87 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-O 120.793 0.33 . . . . 0.0 111.311 -178.878 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 44' ' ' HIS . . . . . . . . . . . . . 70.9 m-70 -72.29 -34.7 68.34 Favored 'General case' 0 C--N 1.324 -0.5 0 CA-C-N 116.486 -0.324 . . . . 0.0 110.964 -178.703 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 58.7 tptt -62.63 -45.46 92.76 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.832 0.349 . . . . 0.0 110.144 175.88 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 46' ' ' GLN . . . . . . . . . . . . . 23.5 tp60 -64.06 -42.94 96.84 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 116.061 -0.518 . . . . 0.0 110.402 178.407 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 35.4 m -60.1 -46.61 89.03 Favored 'General case' 0 C--O 1.235 0.298 0 CA-C-O 120.981 0.42 . . . . 0.0 110.117 177.812 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 48' ' ' MET . . . . . . . . . . . . . 53.6 tpp -59.64 -42.7 93.35 Favored 'General case' 0 C--N 1.332 -0.183 0 CA-C-N 115.741 -0.663 . . . . 0.0 110.39 177.102 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 49' ' ' LEU . . . . . 0.416 ' HG ' ' HE2' ' A' ' 53' ' ' LYS . 7.7 tp -64.42 -41.6 96.52 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 115.736 -0.666 . . . . 0.0 110.829 -178.192 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 50' ' ' ILE . . . . . . . . . . . . . 78.6 mt -61.58 -46.58 96.27 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.442 176.921 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 51' ' ' ASN . . . . . . . . . . . . . 57.0 t30 -71.01 -23.97 62.28 Favored 'General case' 0 C--N 1.326 -0.454 0 CA-C-N 115.637 -0.711 . . . . 0.0 110.314 -179.023 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 25.5 tt0 -75.56 -65.26 0.92 Allowed 'General case' 0 C--N 1.324 -0.528 0 CA-C-N 115.454 -0.794 . . . . 0.0 110.954 -179.384 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 53' ' ' LYS . . . . . 0.416 ' HE2' ' HG ' ' A' ' 49' ' ' LEU . 52.4 mttm -82.4 -16.45 49.02 Favored 'General case' 0 C--N 1.326 -0.455 0 CA-C-N 115.652 -0.704 . . . . 0.0 111.123 -172.253 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 75.6 mmtt 61.14 80.89 0.2 Allowed 'General case' 0 C--O 1.233 0.192 0 O-C-N 123.857 0.723 . . . . 0.0 111.411 -179.802 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 4.0 pp -107.1 151.24 25.64 Favored 'General case' 0 C--N 1.323 -0.579 0 CA-C-N 115.749 -0.659 . . . . 0.0 109.83 176.613 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 56' ' ' ASN . . . . . . . . . . . . . 27.6 p-10 -101.2 147.25 26.48 Favored 'General case' 0 C--N 1.323 -0.549 0 N-CA-C 109.288 -0.634 . . . . 0.0 109.288 177.762 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 57' ' ' MET . . . . . . . . . . . . . 18.6 mtp -106.57 5.36 29.02 Favored 'General case' 0 C--N 1.32 -0.717 0 C-N-CA 120.628 -0.429 . . . . 0.0 111.882 -169.774 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 58' ' ' MET . . . . . . . . . . . . . 15.6 ptp -85.41 -17.11 37.6 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-O 120.82 0.343 . . . . 0.0 110.199 174.229 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 59' ' ' ASN . . . . . 0.461 ' HB3' ' OE1' ' A' ' 61' ' ' GLU . 6.4 m-20 -85.89 -177.61 6.38 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 115.996 -0.547 . . . . 0.0 110.45 178.719 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -92.15 -31.99 15.28 Favored 'General case' 0 C--N 1.323 -0.561 0 CA-C-O 120.767 0.318 . . . . 0.0 110.965 -179.088 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 61' ' ' GLU . . . . . 0.461 ' OE1' ' HB3' ' A' ' 59' ' ' ASN . 1.9 mp0 -47.52 -41.59 21.44 Favored 'General case' 0 N--CA 1.466 0.341 0 C-N-CA 123.756 0.822 . . . . 0.0 113.115 -172.763 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 62' ' ' HIS . . . . . . . . . . . . . 15.7 p80 -63.08 -24.92 68.13 Favored 'General case' 0 C--N 1.331 -0.228 0 N-CA-C 111.719 0.266 . . . . 0.0 111.719 -175.79 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 63' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -69.94 -56.95 5.69 Favored 'General case' 0 CA--C 1.519 -0.22 0 C-N-CA 121.048 -0.261 . . . . 0.0 110.771 -175.366 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 64' ' ' LYS . . . . . 0.417 ' O ' ' HG3' ' A' ' 68' ' ' GLN . 65.9 pttt -66.7 -36.96 83.75 Favored 'General case' 0 C--N 1.327 -0.394 0 C-N-CA 120.638 -0.425 . . . . 0.0 110.365 -179.275 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 53.7 tp -59.16 -49.65 77.04 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.534 -0.303 . . . . 0.0 110.519 179.208 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 10.4 tt -64.16 -43.74 94.25 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.137 179.657 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 34.8 tt0 -62.21 -41.79 98.7 Favored 'General case' 0 C--O 1.235 0.341 0 CA-C-O 120.886 0.375 . . . . 0.0 110.951 -178.465 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 68' ' ' GLN . . . . . 0.508 ' HA ' ' HE2' ' A' ' 78' ' ' LYS . 55.9 mt-30 -61.79 -57.16 12.96 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 115.99 -0.55 . . . . 0.0 110.756 178.801 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 8.2 mm-40 -63.15 -39.72 95.48 Favored 'General case' 0 C--N 1.325 -0.484 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.708 -177.42 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 70' ' ' MET . . . . . . . . . . . . . 58.8 ttp -59.18 -58.16 9.84 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-O 120.874 0.369 . . . . 0.0 111.443 -178.659 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 71' ' ' VAL . . . . . . . . . . . . . 46.8 t -66.73 -29.53 46.72 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 CA-C-O 120.919 0.39 . . . . 0.0 110.899 -175.431 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 10.2 t -76.26 -40.82 50.89 Favored 'General case' 0 C--N 1.325 -0.481 0 CA-C-O 120.791 0.329 . . . . 0.0 110.729 -179.693 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 73' ' ' PHE . . . . . . . . . . . . . 69.2 t80 -70.64 -39.9 73.4 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-O 120.905 0.383 . . . . 0.0 110.95 -178.682 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 74' ' ' LEU . . . . . . . . . . . . . 96.3 mt -86.67 -46.34 10.16 Favored 'General case' 0 C--N 1.325 -0.484 0 CA-C-N 116.026 -0.534 . . . . 0.0 112.276 -174.676 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 75' ' ' PHE . . . . . . . . . . . . . 49.6 t80 -98.19 -30.18 12.79 Favored 'General case' 0 C--N 1.328 -0.356 0 C-N-CA 120.903 -0.319 . . . . 0.0 111.79 -173.705 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 6.2 mm-40 60.18 32.23 20.8 Favored 'General case' 0 N--CA 1.469 0.501 0 CA-C-O 121.154 0.502 . . . . 0.0 111.196 -177.485 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . -153.79 84.1 0.15 Allowed Glycine 0 N--CA 1.448 -0.521 0 C-N-CA 120.882 -0.675 . . . . 0.0 112.07 179.376 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 78' ' ' LYS . . . . . 0.508 ' HE2' ' HA ' ' A' ' 68' ' ' GLN . 26.5 mtpp -112.26 174.26 5.97 Favored 'General case' 0 C--N 1.321 -0.633 0 CA-C-O 121.431 0.634 . . . . 0.0 112.029 179.641 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 79' ' ' ASP . . . . . . . . . . . . . 2.4 m-20 -106.37 -40.75 5.5 Favored 'General case' 0 C--N 1.322 -0.598 0 CA-C-N 114.987 -1.006 . . . . 0.0 108.289 172.371 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 80' ' ' VAL . . . . . . . . . . . . . 36.4 t . . . . . 0 C--N 1.327 -0.383 0 CA-C-N 114.852 -1.067 . . . . 0.0 110.653 179.478 . . . . . . . . 0 0 . 1 . 011 nuclear nobuild core ' A' A ' 3' ' ' ARG . . . . . 0.433 ' HD2' ' HA3' ' A' ' 16' ' ' GLY . 38.0 ttm180 . . . . . 0 N--CA 1.454 -0.269 0 N-CA-C 109.979 -0.378 . . . . 0.0 109.979 . . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 20.2 p -109.22 129.87 55.49 Favored 'General case' 0 C--N 1.321 -0.657 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.243 -179.379 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 5' ' ' ILE . . . . . . . . . . . . . 2.8 pp -128.13 173.98 12.37 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.45 0 CA-C-N 115.898 -0.592 . . . . 0.0 109.919 175.867 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 6' ' ' PHE . . . . . . . . . . . . . 56.8 m-85 -97.84 102.61 14.41 Favored 'General case' 0 C--N 1.322 -0.598 0 CA-C-O 120.899 0.38 . . . . 0.0 110.189 176.057 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 7' ' ' CYS . . . . . 0.569 ' HA ' ' O ' ' A' ' 33' ' ' GLU . 47.5 t -75.69 129.6 37.37 Favored 'General case' 0 C--N 1.322 -0.615 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.304 -178.482 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 3.5 p -60.49 -46.45 90.05 Favored 'General case' 0 C--N 1.324 -0.535 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.852 -177.476 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 9' ' ' TYR . . . . . . . . . . . . . 75.8 t80 -70.45 -20.08 62.92 Favored 'General case' 0 C--N 1.325 -0.465 0 CA-C-N 115.952 -0.567 . . . . 0.0 111.394 -175.983 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 83.0 mt -105.66 -29.36 10.15 Favored 'General case' 0 C--N 1.326 -0.453 0 C-N-CA 121.091 -0.244 . . . . 0.0 111.553 -176.254 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 31.9 mm-40 65.6 22.45 11.71 Favored 'General case' 0 N--CA 1.469 0.507 0 CA-C-O 121.146 0.498 . . . . 0.0 110.67 -178.76 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 30.9 mtp180 -141.25 -179.74 6.29 Favored 'General case' 0 C--N 1.326 -0.439 0 CA-C-N 115.989 -0.551 . . . . 0.0 110.771 -176.219 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 5.3 m-20 -70.33 125.48 26.9 Favored 'General case' 0 C--O 1.235 0.329 0 CA-C-N 115.931 -0.577 . . . . 0.0 110.345 176.68 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -137.78 175.67 9.39 Favored 'General case' 0 C--N 1.322 -0.591 0 CA-C-N 116.11 -0.496 . . . . 0.0 110.635 179.511 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 31.5 tt0 -75.51 143.52 42.47 Favored 'General case' 0 C--N 1.326 -0.43 0 N-CA-C 110.036 -0.357 . . . . 0.0 110.036 -178.266 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 16' ' ' GLY . . . . . 0.433 ' HA3' ' HD2' ' A' ' 3' ' ' ARG . . . -83.32 37.7 2.74 Favored Glycine 0 CA--C 1.518 0.253 0 CA-C-N 116.115 -0.493 . . . . 0.0 113.837 -175.995 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 17' ' ' GLN . . . . . . . . . . . . . 2.3 mm-40 58.33 -166.12 0.16 Allowed 'General case' 0 C--N 1.329 -0.303 0 N-CA-C 114.767 1.395 . . . . 0.0 114.767 169.348 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 1.2 t70 -91.27 -153.62 0.33 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 114.447 -1.252 . . . . 0.0 110.949 -172.949 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 77.3 m-85 -119.78 179.07 4.35 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.026 -178.987 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 19.0 mm-40 -78.86 89.32 4.68 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-O 121.12 0.486 . . . . 0.0 110.228 177.782 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -109.99 -17.22 13.65 Favored 'General case' 0 C--N 1.324 -0.539 0 CA-C-N 115.689 -0.687 . . . . 0.0 111.922 -178.64 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 22' ' ' TYR . . . . . 0.532 ' HB3' ' HD3' ' A' ' 23' ' ' PRO . 67.2 t80 -156.99 -50.83 0.01 OUTLIER Pre-proline 0 C--N 1.325 -0.461 0 N-CA-C 111.767 0.284 . . . . 0.0 111.767 -176.724 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 23' ' ' PRO . . . . . 0.532 ' HD3' ' HB3' ' A' ' 22' ' ' TYR . 5.3 Cg_exo -79.2 154.61 25.19 Favored 'Trans proline' 0 C--N 1.354 0.862 0 C-N-CA 121.883 1.722 . . . . 0.0 111.593 178.199 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -97.94 -133.58 7.99 Favored Glycine 0 N--CA 1.451 -0.339 0 C-N-CA 120.525 -0.845 . . . . 0.0 112.307 179.391 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 39.7 mm-40 -63.52 -26.98 68.96 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.602 0.239 . . . . 0.0 111.25 -177.487 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 26' ' ' LEU . . . . . 0.519 ' O ' HG12 ' A' ' 30' ' ' ILE . 58.9 tp -63.71 -50.98 67.01 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-O 120.947 0.404 . . . . 0.0 110.182 178.033 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 27' ' ' GLY . . . . . 0.426 ' HA3' ' HB2' ' A' ' 23' ' ' PRO . . . -64.99 -37.47 94.31 Favored Glycine 0 N--CA 1.449 -0.463 0 C-N-CA 120.839 -0.696 . . . . 0.0 111.466 177.875 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 72.0 tttt -58.76 -45.76 89.01 Favored 'General case' 0 C--N 1.322 -0.612 0 C-N-CA 122.719 0.408 . . . . 0.0 110.774 176.365 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 73.6 ttt180 -56.7 -40.81 76.27 Favored 'General case' 0 N--CA 1.463 0.189 0 CA-C-N 116.025 -0.534 . . . . 0.0 110.359 176.804 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 30' ' ' ILE . . . . . 0.519 HG12 ' O ' ' A' ' 26' ' ' LEU . 44.9 mm -69.02 -47.97 72.43 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.358 0 CA-C-N 115.767 -0.651 . . . . 0.0 111.19 179.597 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 31' ' ' TYR . . . . . . . . . . . . . 21.5 m-30 -61.67 -25.48 67.42 Favored 'General case' 0 N--CA 1.466 0.359 0 N-CA-C 112.617 0.599 . . . . 0.0 112.617 -172.879 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 32' ' ' ASN . . . . . . . . . . . . . 25.7 m-80 -72.43 -28.53 63.01 Favored 'General case' 0 C--N 1.323 -0.564 0 C-N-CA 120.893 -0.323 . . . . 0.0 111.439 177.671 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 33' ' ' GLU . . . . . 0.569 ' O ' ' HA ' ' A' ' 7' ' ' CYS . 15.2 mm-40 -109.11 -22.2 12.24 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-O 120.826 0.346 . . . . 0.0 111.76 -173.864 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 34' ' ' ILE . . . . . 0.499 HD11 ' O ' ' A' ' 74' ' ' LEU . 26.0 mm -118.28 132.95 66.63 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.67 0 CA-C-O 120.751 0.31 . . . . 0.0 111.342 -176.434 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 4.4 t -90.42 -178.53 5.37 Favored 'General case' 0 N--CA 1.449 -0.479 0 CA-C-N 116.007 -0.542 . . . . 0.0 110.061 179.585 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 61.6 mttm -69.86 -42.36 73.64 Favored 'General case' 0 C--N 1.327 -0.405 0 N-CA-C 112.235 0.457 . . . . 0.0 112.235 -174.564 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 31.6 t70 -62.87 -45.61 91.76 Favored 'General case' 0 C--N 1.329 -0.302 0 C-N-CA 120.646 -0.422 . . . . 0.0 110.826 -178.439 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -65.86 -39.85 91.13 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-N 116.268 -0.424 . . . . 0.0 110.657 178.465 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 39' ' ' TRP . . . . . 0.511 ' CZ3' HG21 ' A' ' 30' ' ' ILE . 63.8 t-105 -62.64 -50.87 69.51 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-N 115.897 -0.592 . . . . 0.0 110.379 178.576 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -66.14 -31.77 72.83 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 115.809 -0.632 . . . . 0.0 110.601 -179.867 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 32.2 tt0 -63.03 -43.95 97.26 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 115.973 -0.558 . . . . 0.0 110.17 178.199 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 42' ' ' TRP . . . . . . . . . . . . . 42.8 t-105 -67.24 -41.81 85.02 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.071 -0.513 . . . . 0.0 110.634 177.438 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 43' ' ' GLN . . . . . 0.486 ' HG3' ' O ' ' A' ' 39' ' ' TRP . 47.8 mt-30 -60.12 -43.82 95.34 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 121.032 0.444 . . . . 0.0 110.315 178.004 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 44' ' ' HIS . . . . . . . . . . . . . 32.3 t60 -61.52 -43.69 98.41 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-N 115.755 -0.657 . . . . 0.0 110.227 177.786 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 45' ' ' LYS . . . . . 0.621 ' O ' ' HG ' ' A' ' 49' ' ' LEU . 5.7 tmtt? -63.48 -44.97 92.86 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 115.689 -0.687 . . . . 0.0 110.117 179.718 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 46' ' ' GLN . . . . . 0.453 ' O ' HG13 ' A' ' 50' ' ' ILE . 58.6 tp60 -65.81 -35.43 80.66 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.013 -0.539 . . . . 0.0 111.148 -179.694 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 49.1 m -57.32 -44.54 84.28 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 121.137 0.494 . . . . 0.0 109.689 176.645 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 48' ' ' MET . . . . . . . . . . . . . 26.2 ttt -62.65 -45.72 91.54 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 115.382 -0.826 . . . . 0.0 110.326 175.973 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 49' ' ' LEU . . . . . 0.621 ' HG ' ' O ' ' A' ' 45' ' ' LYS . 85.7 mt -59.39 -44.28 92.82 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 115.998 -0.547 . . . . 0.0 111.799 -178.499 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 50' ' ' ILE . . . . . 0.453 HG13 ' O ' ' A' ' 46' ' ' GLN . 77.2 mt -61.55 -42.73 95.16 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.248 0 CA-C-O 121.082 0.467 . . . . 0.0 110.632 178.61 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 51' ' ' ASN . . . . . . . . . . . . . 30.5 t30 -66.29 -40.38 90.01 Favored 'General case' 0 C--N 1.323 -0.553 0 CA-C-N 115.592 -0.731 . . . . 0.0 110.963 -177.732 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 19.2 mm-40 -75.86 -41.64 51.72 Favored 'General case' 0 C--N 1.324 -0.516 0 CA-C-N 116.188 -0.46 . . . . 0.0 112.185 -176.0 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 33.6 mtmm -93.51 -13.69 27.53 Favored 'General case' 0 C--N 1.327 -0.381 0 N-CA-C 112.361 0.504 . . . . 0.0 112.361 -174.409 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 60.6 mttp 53.55 79.58 0.12 Allowed 'General case' 0 N--CA 1.465 0.315 0 CA-C-O 121.072 0.463 . . . . 0.0 111.04 -175.627 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 55' ' ' LEU . . . . . 0.438 ' HB2' ' CG ' ' A' ' 62' ' ' HIS . 4.5 pp -119.48 144.05 47.21 Favored 'General case' 0 C--N 1.32 -0.675 0 CA-C-O 120.996 0.426 . . . . 0.0 111.29 -178.939 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 56' ' ' ASN . . . . . . . . . . . . . 13.9 m120 -84.96 135.38 34.06 Favored 'General case' 0 C--N 1.325 -0.486 0 CA-C-N 116.004 -0.543 . . . . 0.0 110.096 176.078 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 57' ' ' MET . . . . . . . . . . . . . 0.5 OUTLIER -83.06 -19.43 36.87 Favored 'General case' 0 C--N 1.322 -0.612 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.77 -176.176 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 58' ' ' MET . . . . . . . . . . . . . 3.7 mpp? -73.87 -34.67 64.55 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-O 121.06 0.457 . . . . 0.0 110.598 -179.246 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 59' ' ' ASN . . . . . . . . . . . . . 2.1 m-20 -65.43 128.56 36.39 Favored 'General case' 0 C--N 1.326 -0.445 0 CA-C-N 115.656 -0.702 . . . . 0.0 110.9 -177.32 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 60' ' ' ALA . . . . . 0.493 ' O ' ' HG2' ' A' ' 64' ' ' LYS . . . -60.15 -24.38 64.67 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 115.814 -0.63 . . . . 0.0 110.277 178.174 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 28.3 mt-10 -48.95 -63.65 1.03 Allowed 'General case' 0 C--O 1.233 0.224 0 CA-C-N 115.43 -0.804 . . . . 0.0 110.671 174.862 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 62' ' ' HIS . . . . . 0.438 ' CG ' ' HB2' ' A' ' 55' ' ' LEU . 71.3 m-70 -81.15 -18.39 46.49 Favored 'General case' 0 C--N 1.326 -0.446 0 CA-C-N 115.328 -0.851 . . . . 0.0 110.424 -174.511 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 63' ' ' ARG . . . . . . . . . . . . . 6.8 tpp180 -64.98 -50.12 67.57 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.102 177.633 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 64' ' ' LYS . . . . . 0.493 ' HG2' ' O ' ' A' ' 60' ' ' ALA . 20.1 pttm -72.67 -27.21 61.96 Favored 'General case' 0 C--N 1.333 -0.147 0 C-N-CA 120.738 -0.385 . . . . 0.0 110.694 178.233 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 68.7 tp -59.49 -52.75 64.23 Favored 'General case' 0 C--O 1.233 0.19 0 N-CA-C 109.878 -0.416 . . . . 0.0 109.878 173.66 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 47.7 tp -58.5 -43.93 89.26 Favored 'General case' 0 N--CA 1.455 -0.209 0 CA-C-N 115.805 -0.634 . . . . 0.0 110.934 177.644 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 67' ' ' GLU . . . . . 0.504 ' O ' HG23 ' A' ' 71' ' ' VAL . 39.7 tt0 -59.32 -52.65 64.75 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.943 -179.062 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 68' ' ' GLN . . . . . . . . . . . . . 43.4 mt-30 -57.98 -50.45 73.36 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.076 -0.511 . . . . 0.0 111.707 -179.216 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 8.5 mm-40 -64.83 -33.92 77.14 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.141 -0.482 . . . . 0.0 111.122 -179.316 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 70' ' ' MET . . . . . . . . . . . . . 50.3 ttm -63.34 -51.23 66.79 Favored 'General case' 0 C--N 1.326 -0.444 0 CA-C-O 120.912 0.387 . . . . 0.0 110.687 178.652 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 71' ' ' VAL . . . . . 0.504 HG23 ' O ' ' A' ' 67' ' ' GLU . 10.8 t -73.03 -10.01 13.54 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.398 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.444 -177.85 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 72' ' ' SER . . . . . 0.471 ' O ' ' HG2' ' A' ' 76' ' ' GLU . 63.6 m -90.51 -63.89 1.21 Allowed 'General case' 0 C--N 1.326 -0.439 0 CA-C-N 116.622 -0.263 . . . . 0.0 111.336 174.608 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 73' ' ' PHE . . . . . . . . . . . . . 81.0 t80 -58.76 -36.69 74.78 Favored 'General case' 0 N--CA 1.464 0.231 0 CA-C-O 120.713 0.292 . . . . 0.0 111.701 -173.824 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 74' ' ' LEU . . . . . 0.499 ' O ' HD11 ' A' ' 34' ' ' ILE . 80.8 mt -97.79 -43.68 7.04 Favored 'General case' 0 C--N 1.322 -0.609 0 N-CA-C 112.21 0.448 . . . . 0.0 112.21 -174.918 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 75' ' ' PHE . . . . . 0.556 ' CZ ' ' HG3' ' A' ' 33' ' ' GLU . 2.8 t80 -99.49 -44.76 6.05 Favored 'General case' 0 C--N 1.322 -0.63 0 CA-C-N 116.287 -0.415 . . . . 0.0 111.985 -167.97 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 76' ' ' GLU . . . . . 0.626 ' HA ' ' OE1' ' A' ' 76' ' ' GLU . 2.7 mm-40 54.5 20.35 2.78 Favored 'General case' 0 N--CA 1.47 0.546 0 C-N-CA 123.546 0.739 . . . . 0.0 112.441 -172.765 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . -118.06 38.77 2.81 Favored Glycine 0 N--CA 1.446 -0.676 0 N-CA-C 109.947 -1.261 . . . . 0.0 109.947 172.816 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 11.9 pttm -70.07 124.63 24.57 Favored 'General case' 0 C--N 1.324 -0.508 0 CA-C-N 114.711 -0.745 . . . . 0.0 111.953 -175.172 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 79' ' ' ASP . . . . . . . . . . . . . 6.3 p-10 -84.35 -17.89 37.99 Favored 'General case' 0 C--N 1.319 -0.749 0 CA-C-N 114.924 -1.035 . . . . 0.0 109.862 174.845 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 80' ' ' VAL . . . . . . . . . . . . . 40.9 t . . . . . 0 C--N 1.326 -0.45 0 CA-C-N 115.479 -0.782 . . . . 0.0 109.481 174.654 . . . . . . . . 0 0 . 1 . 012 nuclear nobuild core ' A' A ' 3' ' ' ARG . . . . . 0.435 ' O ' ' HA ' ' A' ' 15' ' ' GLU . 30.9 tpt180 . . . . . 0 N--CA 1.454 -0.244 0 N-CA-C 109.798 -0.445 . . . . 0.0 109.798 . . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 58.5 m -81.3 109.99 16.33 Favored 'General case' 0 C--N 1.323 -0.585 0 CA-C-O 121.094 0.473 . . . . 0.0 111.338 -179.017 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 5' ' ' ILE . . . . . . . . . . . . . 2.8 pp -126.21 162.03 30.8 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.564 0 CA-C-N 115.545 -0.752 . . . . 0.0 109.682 175.641 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 6' ' ' PHE . . . . . . . . . . . . . 86.9 m-85 -93.99 113.22 25.17 Favored 'General case' 0 C--N 1.32 -0.691 0 N-CA-C 109.77 -0.456 . . . . 0.0 109.77 175.121 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 7' ' ' CYS . . . . . 0.436 ' HA ' ' O ' ' A' ' 33' ' ' GLU . 42.7 t -78.67 137.23 37.71 Favored 'General case' 0 C--N 1.322 -0.601 0 CA-C-N 115.687 -0.688 . . . . 0.0 110.558 -175.88 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 3.0 p -60.08 -56.84 16.69 Favored 'General case' 0 C--N 1.324 -0.523 0 CA-C-N 115.8 -0.636 . . . . 0.0 112.427 -177.351 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 9' ' ' TYR . . . . . . . . . . . . . 46.0 t80 -73.55 -34.54 65.24 Favored 'General case' 0 C--N 1.324 -0.509 0 CA-C-O 120.631 0.253 . . . . 0.0 111.319 -173.963 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 10' ' ' LEU . . . . . 0.419 ' HB2' ' HB3' ' A' ' 7' ' ' CYS . 85.9 mt -80.26 -26.94 38.74 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-O 120.543 0.211 . . . . 0.0 110.953 -178.763 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 26.4 mm-40 63.9 19.65 11.84 Favored 'General case' 0 N--CA 1.466 0.364 0 CA-C-N 116.029 -0.532 . . . . 0.0 111.84 178.047 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 72.2 mtp180 -137.05 179.79 6.17 Favored 'General case' 0 C--N 1.325 -0.483 0 CA-C-N 116.164 -0.471 . . . . 0.0 109.871 178.133 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 6.0 p-10 -79.27 140.0 37.73 Favored 'General case' 0 C--N 1.325 -0.5 0 CA-C-O 121.022 0.439 . . . . 0.0 110.105 178.969 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -156.58 179.02 9.67 Favored 'General case' 0 C--N 1.321 -0.661 0 CA-C-N 115.652 -0.704 . . . . 0.0 109.792 -179.967 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 15' ' ' GLU . . . . . 0.435 ' HA ' ' O ' ' A' ' 3' ' ' ARG . 44.4 tt0 -81.39 134.69 35.6 Favored 'General case' 0 C--N 1.325 -0.458 0 CA-C-N 116.502 -0.317 . . . . 0.0 110.267 -179.831 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . -77.06 63.21 3.25 Favored Glycine 0 C--N 1.33 0.215 0 CA-C-N 116.226 -0.443 . . . . 0.0 113.125 -178.171 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 17' ' ' GLN . . . . . 0.635 ' O ' ' HE2' ' A' ' 36' ' ' LYS . 26.8 mt-30 47.14 -111.05 0.34 Allowed 'General case' 0 C--N 1.329 -0.286 0 N-CA-C 113.666 0.988 . . . . 0.0 113.666 176.489 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 1.5 t70 -148.73 -166.03 2.44 Favored 'General case' 0 C--N 1.326 -0.425 0 N-CA-C 109.743 -0.466 . . . . 0.0 109.743 -170.258 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 43.7 p90 -91.98 168.24 11.54 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-O 121.027 0.441 . . . . 0.0 111.075 179.81 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 16.0 mm100 -76.56 101.05 5.51 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 116.006 -0.543 . . . . 0.0 110.729 179.731 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 21' ' ' LEU . . . . . 0.688 HD23 ' H ' ' A' ' 21' ' ' LEU . 2.7 pt? -90.0 -12.4 38.74 Favored 'General case' 0 C--N 1.325 -0.483 0 CA-C-N 115.997 -0.547 . . . . 0.0 111.457 -178.927 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 22' ' ' TYR . . . . . 0.436 ' HB3' ' HD3' ' A' ' 23' ' ' PRO . 55.4 t80 -160.93 -55.45 0.01 OUTLIER Pre-proline 0 CA--C 1.539 0.546 0 N-CA-C 112.798 0.666 . . . . 0.0 112.798 -177.236 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 23' ' ' PRO . . . . . 0.436 ' HD3' ' HB3' ' A' ' 22' ' ' TYR . 4.0 Cg_exo -73.97 176.28 9.69 Favored 'Trans proline' 0 C--N 1.355 0.905 0 C-N-CA 121.921 1.747 . . . . 0.0 113.492 -170.902 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -118.72 -109.77 2.4 Favored Glycine 0 N--CA 1.448 -0.53 0 CA-C-N 115.736 -0.666 . . . . 0.0 112.307 179.499 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -62.17 -39.53 92.98 Favored 'General case' 0 N--CA 1.464 0.232 0 CA-C-O 120.559 0.218 . . . . 0.0 111.513 -175.81 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 60.1 tp -68.46 -40.46 81.04 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 121.012 0.435 . . . . 0.0 109.858 -179.128 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . -60.2 -55.53 29.67 Favored Glycine 0 N--CA 1.445 -0.709 0 CA-C-N 115.602 -0.726 . . . . 0.0 111.811 178.397 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 55.2 mtpt -61.55 -36.19 79.91 Favored 'General case' 0 C--N 1.325 -0.497 0 C-N-CA 121.245 -0.182 . . . . 0.0 110.949 -178.074 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 48.9 ttm-85 -54.4 -43.65 71.66 Favored 'General case' 0 C--N 1.329 -0.294 0 O-C-N 123.542 0.526 . . . . 0.0 110.839 178.557 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 30' ' ' ILE . . . . . . . . . . . . . 62.5 mt -81.41 -46.55 20.3 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.517 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.852 -179.993 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 31' ' ' TYR . . . . . 0.421 ' HA ' ' OE1' ' A' ' 17' ' ' GLN . 6.7 m-85 -65.18 -14.49 60.73 Favored 'General case' 0 C--N 1.325 -0.471 0 N-CA-C 113.487 0.921 . . . . 0.0 113.487 -172.085 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 32' ' ' ASN . . . . . . . . . . . . . 2.6 p30 -102.3 -10.42 19.53 Favored 'General case' 0 C--N 1.325 -0.46 0 C-N-CA 119.98 -0.688 . . . . 0.0 111.32 -178.453 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 33' ' ' GLU . . . . . 0.436 ' O ' ' HA ' ' A' ' 7' ' ' CYS . 42.5 mt-10 -126.02 -4.83 6.85 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 121.144 0.497 . . . . 0.0 111.466 -178.015 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 34' ' ' ILE . . . . . 0.405 ' O ' ' HG3' ' A' ' 17' ' ' GLN . 22.0 mm -121.59 136.77 57.44 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.535 0 CA-C-O 121.06 0.457 . . . . 0.0 110.344 176.747 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 13.8 t -94.97 164.63 12.82 Favored 'General case' 0 N--CA 1.445 -0.687 0 CA-C-N 116.0 -0.546 . . . . 0.0 110.1 178.545 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 36' ' ' LYS . . . . . 0.635 ' HE2' ' O ' ' A' ' 17' ' ' GLN . 66.0 mttm -56.77 -33.96 67.13 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 115.926 -0.579 . . . . 0.0 111.004 -179.946 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 33.6 t70 -62.71 -55.78 23.65 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.467 -0.333 . . . . 0.0 111.167 -179.462 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -64.34 -39.26 93.53 Favored 'General case' 0 C--N 1.326 -0.449 0 CA-C-O 120.995 0.426 . . . . 0.0 110.637 179.12 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 39' ' ' TRP . . . . . . . . . . . . . 75.1 t-105 -61.96 -51.36 68.4 Favored 'General case' 0 C--N 1.325 -0.462 0 CA-C-N 115.614 -0.721 . . . . 0.0 110.996 179.64 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -64.99 -36.58 84.88 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.401 -0.363 . . . . 0.0 111.246 -177.882 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 41.3 mt-30 -65.71 -49.12 69.68 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.259 178.052 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 42' ' ' TRP . . . . . 0.412 ' HE1' ' HA ' ' A' ' 70' ' ' MET . 50.0 t-105 -70.91 -36.84 72.87 Favored 'General case' 0 C--O 1.222 -0.357 0 C-N-CA 120.442 -0.503 . . . . 0.0 110.983 -177.711 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 43' ' ' GLN . . . . . . . . . . . . . 33.6 mt-30 -55.67 -49.09 73.87 Favored 'General case' 0 CA--C 1.518 -0.264 0 CA-C-O 121.173 0.511 . . . . 0.0 110.283 174.972 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 44' ' ' HIS . . . . . . . . . . . . . 5.1 t60 -68.62 -45.81 70.93 Favored 'General case' 0 C--N 1.322 -0.609 0 CA-C-N 115.397 -0.82 . . . . 0.0 110.728 -176.301 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 45' ' ' LYS . . . . . 0.47 ' O ' ' HB3' ' A' ' 48' ' ' MET . 17.7 tppt? -65.89 -43.28 88.73 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.102 -178.765 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 46' ' ' GLN . . . . . 0.576 ' O ' HG13 ' A' ' 50' ' ' ILE . 55.5 tp60 -66.55 -31.91 72.93 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-N 116.523 -0.308 . . . . 0.0 110.48 -179.441 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 86.5 m -61.47 -40.54 94.89 Favored 'General case' 0 C--O 1.234 0.263 0 CA-C-O 120.945 0.402 . . . . 0.0 110.001 175.29 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 48' ' ' MET . . . . . 0.473 ' O ' ' HG2' ' A' ' 52' ' ' GLU . 48.9 tpp -57.41 -52.09 66.76 Favored 'General case' 0 C--N 1.332 -0.192 0 CA-C-N 115.921 -0.581 . . . . 0.0 109.748 172.775 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 10.5 mp -58.73 -39.57 81.25 Favored 'General case' 0 C--N 1.331 -0.204 0 CA-C-N 115.803 -0.635 . . . . 0.0 111.749 -179.556 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 50' ' ' ILE . . . . . 0.576 HG13 ' O ' ' A' ' 46' ' ' GLN . 75.9 mt -56.56 -49.33 78.09 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.448 0 CA-C-O 121.012 0.434 . . . . 0.0 110.461 178.394 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 51' ' ' ASN . . . . . . . . . . . . . 90.6 m-20 -70.22 -48.23 57.94 Favored 'General case' 0 C--N 1.322 -0.604 0 CA-C-N 115.986 -0.552 . . . . 0.0 111.024 -178.864 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 52' ' ' GLU . . . . . 0.473 ' HG2' ' O ' ' A' ' 48' ' ' MET . 14.3 mm-40 -65.3 -37.32 86.79 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-N 116.091 -0.504 . . . . 0.0 111.874 -175.579 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 53' ' ' LYS . . . . . 0.469 ' HE3' HD11 ' A' ' 55' ' ' LEU . 55.0 mtmt -94.0 7.42 45.15 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.886 -0.143 . . . . 0.0 111.349 -179.182 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 31.5 mmmt 59.73 39.16 21.26 Favored 'General case' 0 N--CA 1.469 0.525 0 O-C-N 123.473 0.483 . . . . 0.0 111.611 173.881 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 55' ' ' LEU . . . . . 0.469 HD11 ' HE3' ' A' ' 53' ' ' LYS . 43.1 mt -84.93 88.7 7.45 Favored 'General case' 0 C--N 1.324 -0.517 0 CA-C-N 116.028 -0.533 . . . . 0.0 110.938 -176.554 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 56' ' ' ASN . . . . . . . . . . . . . 28.5 p-10 -76.56 116.11 16.94 Favored 'General case' 0 C--N 1.323 -0.557 0 CA-C-O 121.6 0.714 . . . . 0.0 109.424 175.429 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 57' ' ' MET . . . . . . . . . . . . . 24.4 mmt -81.4 15.59 1.97 Allowed 'General case' 0 C--N 1.323 -0.582 0 CA-C-N 115.726 -0.67 . . . . 0.0 112.026 -170.061 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 58' ' ' MET . . . . . . . . . . . . . 88.5 mtp -86.41 -6.63 58.88 Favored 'General case' 0 C--N 1.325 -0.463 0 CA-C-O 121.308 0.575 . . . . 0.0 109.937 174.942 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 59' ' ' ASN . . . . . . . . . . . . . 45.5 m-80 -111.22 138.64 47.42 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 115.714 -0.675 . . . . 0.0 110.286 175.872 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 60' ' ' ALA . . . . . 0.541 ' O ' ' HG2' ' A' ' 64' ' ' LYS . . . -63.1 -24.18 67.78 Favored 'General case' 0 C--N 1.326 -0.446 0 CA-C-N 115.983 -0.553 . . . . 0.0 111.082 -178.471 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 11.1 mm-40 -56.52 -54.45 45.71 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 115.836 -0.62 . . . . 0.0 111.274 178.363 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 62' ' ' HIS . . . . . . . . . . . . . 88.6 m-70 -79.87 -22.3 43.04 Favored 'General case' 0 C--N 1.324 -0.539 0 CA-C-N 116.121 -0.491 . . . . 0.0 110.258 -176.691 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 63' ' ' ARG . . . . . . . . . . . . . 14.8 tpp180 -63.84 -53.18 54.69 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 115.861 -0.608 . . . . 0.0 110.487 178.519 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 64' ' ' LYS . . . . . 0.541 ' HG2' ' O ' ' A' ' 60' ' ' ALA . 16.1 pttm -69.62 -28.75 66.19 Favored 'General case' 0 C--N 1.332 -0.16 0 C-N-CA 120.69 -0.404 . . . . 0.0 110.528 177.944 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 65' ' ' LEU . . . . . 0.426 HD22 ' HA ' ' A' ' 65' ' ' LEU . 0.3 OUTLIER -61.81 -47.25 85.95 Favored 'General case' 0 C--N 1.329 -0.312 0 N-CA-C 109.4 -0.593 . . . . 0.0 109.4 176.204 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 28.8 tp -53.65 -49.41 67.99 Favored 'General case' 0 C--O 1.233 0.187 0 CA-C-N 115.764 -0.653 . . . . 0.0 110.645 175.367 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 67' ' ' GLU . . . . . 0.417 ' O ' HG23 ' A' ' 71' ' ' VAL . 42.1 tt0 -57.19 -51.44 69.31 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 115.186 -0.916 . . . . 0.0 110.568 178.909 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 68' ' ' GLN . . . . . . . . . . . . . 26.2 mt-30 -59.49 -43.08 93.41 Favored 'General case' 0 C--N 1.325 -0.477 0 CA-C-N 115.582 -0.735 . . . . 0.0 111.793 -177.921 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 19.3 mt-10 -65.41 -41.37 93.7 Favored 'General case' 0 C--O 1.234 0.261 0 CA-C-O 120.871 0.367 . . . . 0.0 110.538 178.607 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 70' ' ' MET . . . . . 0.412 ' HA ' ' HE1' ' A' ' 42' ' ' TRP . 52.8 ttm -63.74 -50.37 69.36 Favored 'General case' 0 C--N 1.331 -0.205 0 CA-C-N 115.911 -0.586 . . . . 0.0 111.368 -176.952 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 71' ' ' VAL . . . . . 0.417 HG23 ' O ' ' A' ' 67' ' ' GLU . 44.3 t -66.19 -32.94 60.34 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.351 0 CA-C-N 116.497 -0.32 . . . . 0.0 111.19 -177.763 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 47.6 m -71.35 -35.24 71.09 Favored 'General case' 0 C--N 1.325 -0.48 0 CA-C-O 120.567 0.223 . . . . 0.0 111.445 -179.483 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 73' ' ' PHE . . . . . . . . . . . . . 49.8 t80 -87.99 -57.18 3.03 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-O 120.694 0.283 . . . . 0.0 111.38 -176.522 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 74' ' ' LEU . . . . . . . . . . . . . 48.8 mt -72.85 -51.7 17.76 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.396 -0.366 . . . . 0.0 111.954 -174.144 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 75' ' ' PHE . . . . . . . . . . . . . 56.8 t80 -79.37 -42.9 24.55 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-N 116.608 -0.269 . . . . 0.0 110.332 -177.116 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 23.6 tt0 58.06 75.15 0.4 Allowed 'General case' 0 C--O 1.236 0.385 0 CA-C-O 122.01 0.909 . . . . 0.0 110.328 -177.922 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . 161.88 58.81 0.02 OUTLIER Glycine 0 N--CA 1.448 -0.529 0 CA-C-N 114.878 -1.055 . . . . 0.0 111.424 -177.287 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 78' ' ' LYS . . . . . 0.456 ' HD3' ' O ' ' A' ' 80' ' ' VAL . 1.5 pptp? -109.52 156.32 20.27 Favored 'General case' 0 C--N 1.322 -0.628 0 CA-C-O 120.72 0.295 . . . . 0.0 110.74 -178.37 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 79' ' ' ASP . . . . . . . . . . . . . 8.1 p-10 -102.24 -22.37 14.18 Favored 'General case' 0 C--N 1.324 -0.507 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.778 179.512 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 80' ' ' VAL . . . . . 0.456 ' O ' ' HD3' ' A' ' 78' ' ' LYS . 31.2 t . . . . . 0 C--N 1.326 -0.42 0 CA-C-N 115.917 -0.583 . . . . 0.0 110.798 -178.756 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 3' ' ' ARG . . . . . . . . . . . . . 12.6 ttm180 . . . . . 0 N--CA 1.448 -0.554 0 N-CA-C 109.176 -0.675 . . . . 0.0 109.176 . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild core ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 30.0 m -68.1 113.46 5.79 Favored 'General case' 0 C--N 1.324 -0.53 0 CA-C-N 115.744 -0.662 . . . . 0.0 110.708 -179.304 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 5' ' ' ILE . . . . . . . . . . . . . 2.5 pp -123.87 160.57 27.58 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.698 0 CA-C-N 115.884 -0.598 . . . . 0.0 110.655 -179.567 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 6' ' ' PHE . . . . . . . . . . . . . 81.3 m-85 -90.34 95.35 10.14 Favored 'General case' 0 C--N 1.321 -0.657 0 N-CA-C 109.55 -0.537 . . . . 0.0 109.55 174.15 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 7' ' ' CYS . . . . . 0.415 ' HB3' ' HB2' ' A' ' 10' ' ' LEU . 50.0 t -53.64 141.06 27.19 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 115.451 -0.795 . . . . 0.0 111.215 -177.243 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 2.1 p -58.88 -39.3 80.99 Favored 'General case' 0 C--N 1.325 -0.495 0 CA-C-N 116.113 -0.494 . . . . 0.0 111.696 -178.671 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 9' ' ' TYR . . . . . . . . . . . . . 76.9 t80 -83.09 -42.13 17.76 Favored 'General case' 0 C--N 1.326 -0.439 0 CA-C-N 116.105 -0.498 . . . . 0.0 111.227 -176.939 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 10' ' ' LEU . . . . . 0.415 ' HB2' ' HB3' ' A' ' 7' ' ' CYS . 79.3 mt -81.41 -35.49 30.63 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.57 -0.286 . . . . 0.0 111.489 -174.382 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 26.2 mm-40 62.73 19.69 11.58 Favored 'General case' 0 N--CA 1.466 0.347 0 CA-C-O 121.135 0.493 . . . . 0.0 111.542 -176.97 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 78.3 mtp180 -128.76 177.01 7.37 Favored 'General case' 0 C--N 1.323 -0.556 0 CA-C-N 116.113 -0.494 . . . . 0.0 109.827 -179.303 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 5.1 m-20 -63.29 114.7 3.97 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 123.477 0.486 . . . . 0.0 110.182 176.504 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -132.56 174.19 10.53 Favored 'General case' 0 C--N 1.316 -0.876 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.599 -179.288 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 7.9 tp10 -100.99 134.85 43.36 Favored 'General case' 0 C--N 1.321 -0.652 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.758 -175.459 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . -66.65 128.48 29.65 Favored Glycine 0 N--CA 1.444 -0.789 0 C-N-CA 120.602 -0.809 . . . . 0.0 111.512 174.776 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 17' ' ' GLN . . . . . 0.528 ' O ' ' HB3' ' A' ' 31' ' ' TYR . 0.0 OUTLIER -77.58 112.69 14.63 Favored 'General case' 0 C--N 1.323 -0.579 0 CA-C-O 120.891 0.377 . . . . 0.0 110.934 -179.389 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 6.4 m-20 -95.53 94.73 7.94 Favored 'General case' 0 C--N 1.323 -0.562 0 CA-C-O 120.959 0.409 . . . . 0.0 111.222 175.868 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 24.5 m-85 -144.57 127.69 16.6 Favored 'General case' 0 C--N 1.323 -0.574 0 CA-C-N 115.454 -0.794 . . . . 0.0 110.775 178.491 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 23.6 mm-40 -136.01 28.78 3.15 Favored 'General case' 0 C--N 1.321 -0.661 0 CA-C-N 115.289 -0.869 . . . . 0.0 109.211 177.901 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 21' ' ' LEU . . . . . 0.515 ' H ' ' CD1' ' A' ' 21' ' ' LEU . 0.0 OUTLIER -73.15 -6.3 44.88 Favored 'General case' 0 N--CA 1.465 0.308 0 CA-C-N 115.279 -0.873 . . . . 0.0 111.967 -173.616 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 22' ' ' TYR . . . . . 0.516 ' HB3' ' HD3' ' A' ' 23' ' ' PRO . 90.1 t80 -159.06 -53.05 0.01 OUTLIER Pre-proline 0 C--N 1.321 -0.631 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.894 -179.983 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 23' ' ' PRO . . . . . 0.516 ' HD3' ' HB3' ' A' ' 22' ' ' TYR . 83.9 Cg_endo -86.25 169.87 8.39 Favored 'Trans proline' 0 C--N 1.356 0.949 0 C-N-CA 121.738 1.626 . . . . 0.0 112.674 178.49 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -127.19 -97.57 0.98 Allowed Glycine 0 N--CA 1.447 -0.622 0 CA-C-N 115.686 -0.688 . . . . 0.0 111.824 178.246 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 3.5 tm-20 -59.22 -57.03 14.8 Favored 'General case' 0 CA--C 1.52 -0.177 0 O-C-N 123.736 0.316 . . . . 0.0 110.286 179.518 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 45.5 tp -61.3 -32.21 72.06 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.067 -0.515 . . . . 0.0 110.469 -179.052 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . -59.94 -62.37 6.16 Favored Glycine 0 N--CA 1.447 -0.575 0 C-N-CA 120.95 -0.643 . . . . 0.0 111.837 176.297 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 67.5 mttm -58.64 -35.74 72.98 Favored 'General case' 0 C--O 1.224 -0.257 0 CA-C-O 120.878 0.37 . . . . 0.0 110.507 179.313 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 29' ' ' ARG . . . . . 0.408 HH11 ' HD2' ' A' ' 29' ' ' ARG . 34.1 ttt85 -52.74 -44.51 66.49 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-N 115.698 -0.683 . . . . 0.0 110.858 178.938 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 30' ' ' ILE . . . . . . . . . . . . . 65.5 mt -80.24 -40.86 20.41 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 CA-C-N 115.996 -0.547 . . . . 0.0 110.686 178.561 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 31' ' ' TYR . . . . . 0.528 ' HB3' ' O ' ' A' ' 17' ' ' GLN . 19.4 m-85 -71.07 -8.86 56.35 Favored 'General case' 0 C--N 1.324 -0.524 0 N-CA-C 112.587 0.588 . . . . 0.0 112.587 -174.581 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 32' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER -88.23 -21.77 24.33 Favored 'General case' 0 C--N 1.325 -0.484 0 CA-C-O 120.923 0.392 . . . . 0.0 110.383 174.949 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 31.3 mm-40 -104.63 -24.77 12.93 Favored 'General case' 0 C--N 1.325 -0.474 0 CA-C-N 115.991 -0.55 . . . . 0.0 110.182 -179.442 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 34' ' ' ILE . . . . . 0.433 HG13 ' HB3' ' A' ' 74' ' ' LEU . 29.6 mm -115.88 138.77 45.24 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.593 0 CA-C-N 115.726 -0.67 . . . . 0.0 111.228 -175.666 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 23.1 m -114.94 -171.06 1.87 Allowed 'General case' 0 N--CA 1.445 -0.71 0 CA-C-N 115.302 -0.863 . . . . 0.0 111.085 -178.56 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 27.4 mmtp -54.76 -51.64 65.07 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 115.406 -0.815 . . . . 0.0 111.275 -175.186 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 14.5 t70 -56.89 -53.53 56.95 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 115.511 -0.768 . . . . 0.0 111.357 -173.559 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -69.36 -42.45 75.23 Favored 'General case' 0 C--N 1.324 -0.514 0 CA-C-N 115.928 -0.578 . . . . 0.0 111.54 -176.333 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 39' ' ' TRP . . . . . . . . . . . . . 74.4 t-105 -67.28 -50.56 59.85 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 120.771 0.32 . . . . 0.0 111.08 -176.593 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -61.0 -43.18 99.27 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.093 -0.503 . . . . 0.0 111.365 -176.215 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 27.3 mt-30 -69.12 -44.49 72.3 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 116.49 -0.323 . . . . 0.0 111.486 -177.71 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 42' ' ' TRP . . . . . 0.512 ' NE1' ' HA ' ' A' ' 70' ' ' MET . 32.5 t-105 -62.01 -50.75 70.82 Favored 'General case' 0 C--N 1.331 -0.23 0 C-N-CA 121.011 -0.276 . . . . 0.0 111.271 -179.621 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 43' ' ' GLN . . . . . . . . . . . . . 15.9 mm100 -62.9 -38.69 91.96 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-O 120.641 0.257 . . . . 0.0 111.008 -178.09 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 44' ' ' HIS . . . . . . . . . . . . . 80.4 t60 -64.23 -40.81 96.81 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-O 120.972 0.415 . . . . 0.0 110.213 176.6 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 22.9 tptm -64.84 -46.01 83.69 Favored 'General case' 0 C--N 1.326 -0.438 0 CA-C-N 116.087 -0.506 . . . . 0.0 110.56 179.43 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 46' ' ' GLN . . . . . 0.513 ' O ' HG13 ' A' ' 50' ' ' ILE . 8.3 tp-100 -61.48 -42.19 98.4 Favored 'General case' 0 C--N 1.326 -0.443 0 CA-C-N 116.229 -0.442 . . . . 0.0 110.435 179.333 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 40.6 m -58.5 -37.78 76.29 Favored 'General case' 0 C--N 1.332 -0.153 0 CA-C-N 116.348 -0.387 . . . . 0.0 110.901 178.483 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 48' ' ' MET . . . . . . . . . . . . . 15.9 tpt -63.82 -40.88 97.67 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.552 179.62 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 11.0 mp -69.31 -31.36 69.78 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.333 -0.394 . . . . 0.0 110.553 178.267 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 50' ' ' ILE . . . . . 0.513 HG13 ' O ' ' A' ' 46' ' ' GLN . 73.0 mt -65.47 -37.82 80.98 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.211 174.769 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 51' ' ' ASN . . . . . . . . . . . . . 13.9 m120 -71.3 -34.4 70.58 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-O 121.155 0.503 . . . . 0.0 110.237 178.218 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 32.4 tt0 -70.89 -56.32 6.53 Favored 'General case' 0 C--N 1.324 -0.506 0 CA-C-N 115.368 -0.833 . . . . 0.0 111.339 -178.256 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 51.6 mtmt -90.05 -12.69 37.77 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-N 116.008 -0.542 . . . . 0.0 111.808 -172.597 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 95.4 mttt 57.82 73.44 0.47 Allowed 'General case' 0 N--CA 1.465 0.278 0 O-C-N 123.698 0.624 . . . . 0.0 111.375 177.841 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 4.3 pp -124.3 154.9 39.58 Favored 'General case' 0 C--N 1.325 -0.489 0 CA-C-N 116.34 -0.391 . . . . 0.0 111.549 -177.057 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 56' ' ' ASN . . . . . . . . . . . . . 10.2 m120 -113.64 142.48 45.94 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.79 177.629 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 57' ' ' MET . . . . . . . . . . . . . 24.0 mmt -85.79 6.73 26.68 Favored 'General case' 0 C--N 1.325 -0.457 0 CA-C-N 116.101 -0.5 . . . . 0.0 110.646 -179.074 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 58' ' ' MET . . . . . . . . . . . . . 70.9 mtm -78.17 -10.75 59.78 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.07 -0.514 . . . . 0.0 110.633 178.588 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 59' ' ' ASN . . . . . . . . . . . . . 68.6 m-20 -104.98 145.7 30.06 Favored 'General case' 0 C--N 1.325 -0.484 0 N-CA-C 109.673 -0.492 . . . . 0.0 109.673 177.518 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 60' ' ' ALA . . . . . 0.484 ' O ' ' HG2' ' A' ' 64' ' ' LYS . . . -61.29 -27.2 68.3 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-N 116.352 -0.385 . . . . 0.0 111.094 -179.591 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 61' ' ' GLU . . . . . 0.456 ' H ' ' HG3' ' A' ' 61' ' ' GLU . 9.8 mt-10 -46.0 -56.02 6.08 Favored 'General case' 0 C--O 1.237 0.405 0 CA-C-O 121.839 0.828 . . . . 0.0 110.526 176.911 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 62' ' ' HIS . . . . . 0.43 ' HA ' ' HB3' ' A' ' 65' ' ' LEU . 67.0 m-70 -93.78 -18.72 21.75 Favored 'General case' 0 C--N 1.32 -0.702 0 CA-C-N 114.981 -1.009 . . . . 0.0 110.776 -170.514 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 63' ' ' ARG . . . . . 0.59 ' NH1' ' HB2' ' A' ' 67' ' ' GLU . 0.0 OUTLIER -63.54 -44.0 95.47 Favored 'General case' 0 C--N 1.33 -0.266 0 N-CA-C 109.043 -0.725 . . . . 0.0 109.043 174.484 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 64' ' ' LYS . . . . . 0.484 ' HG2' ' O ' ' A' ' 60' ' ' ALA . 20.3 pttp -75.12 -29.36 60.54 Favored 'General case' 0 N--CA 1.455 -0.18 0 CA-C-N 116.368 -0.378 . . . . 0.0 110.416 176.654 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 65' ' ' LEU . . . . . 0.43 ' HB3' ' HA ' ' A' ' 62' ' ' HIS . 44.8 tp -56.02 -57.54 11.69 Favored 'General case' 0 C--O 1.233 0.222 0 CA-C-O 120.687 0.279 . . . . 0.0 110.422 174.061 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 10.1 tt -61.26 -40.06 92.67 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.011 -0.541 . . . . 0.0 109.892 179.063 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 67' ' ' GLU . . . . . 0.59 ' HB2' ' NH1' ' A' ' 63' ' ' ARG . 18.3 tp10 -49.92 -59.4 3.9 Favored 'General case' 0 C--O 1.239 0.522 0 CA-C-O 121.411 0.625 . . . . 0.0 110.613 175.374 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 68' ' ' GLN . . . . . . . . . . . . . 56.2 mt-30 -57.06 -60.95 2.84 Favored 'General case' 0 C--N 1.325 -0.475 0 CA-C-N 115.059 -0.973 . . . . 0.0 110.87 -179.022 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 69' ' ' GLU . . . . . 0.461 ' HB3' ' CZ2' ' A' ' 42' ' ' TRP . 5.6 mm-40 -61.43 -43.73 98.36 Favored 'General case' 0 C--N 1.325 -0.469 0 N-CA-C 112.899 0.703 . . . . 0.0 112.899 -172.814 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 70' ' ' MET . . . . . 0.512 ' HA ' ' NE1' ' A' ' 42' ' ' TRP . 59.9 ttp -61.12 -59.23 5.66 Favored 'General case' 0 CA--C 1.518 -0.251 0 CA-C-O 120.589 0.233 . . . . 0.0 111.185 -176.345 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 71' ' ' VAL . . . . . 0.508 ' HB ' ' HD2' ' A' ' 78' ' ' LYS . 59.2 t -67.79 -22.77 28.56 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.42 0 CA-C-O 121.016 0.436 . . . . 0.0 110.732 -176.919 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 17.1 t -74.55 -54.83 6.73 Favored 'General case' 0 C--O 1.22 -0.5 0 O-C-N 122.013 -0.43 . . . . 0.0 110.394 177.722 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 73' ' ' PHE . . . . . . . . . . . . . 68.2 t80 -64.01 -28.19 69.63 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-O 120.982 0.42 . . . . 0.0 111.11 -176.837 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 74' ' ' LEU . . . . . 0.433 ' HB3' HG13 ' A' ' 34' ' ' ILE . 93.3 mt -94.66 -28.46 15.34 Favored 'General case' 0 C--N 1.323 -0.563 0 N-CA-C 112.626 0.602 . . . . 0.0 112.626 -175.15 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 75' ' ' PHE . . . . . 0.472 ' HB2' ' O ' ' A' ' 71' ' ' VAL . 77.4 m-85 -115.95 -43.7 2.97 Favored 'General case' 0 N--CA 1.468 0.463 0 O-C-N 122.037 -0.414 . . . . 0.0 112.004 -178.615 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 6.5 mm-40 65.05 101.09 0.04 OUTLIER 'General case' 0 N--CA 1.463 0.221 0 O-C-N 123.735 0.647 . . . . 0.0 111.743 -175.946 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . 128.31 48.03 0.17 Allowed Glycine 0 N--CA 1.448 -0.552 0 C-N-CA 120.728 -0.748 . . . . 0.0 112.583 178.201 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 78' ' ' LYS . . . . . 0.508 ' HD2' ' HB ' ' A' ' 71' ' ' VAL . 42.2 mtpt -78.68 170.46 16.62 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 121.156 0.503 . . . . 0.0 111.064 179.539 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 79' ' ' ASP . . . . . . . . . . . . . 50.6 m-20 -90.75 -24.85 20.25 Favored 'General case' 0 C--N 1.323 -0.548 0 N-CA-C 109.336 -0.616 . . . . 0.0 109.336 173.14 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 80' ' ' VAL . . . . . . . . . . . . . 46.4 t . . . . . 0 C--N 1.328 -0.344 0 CA-C-N 115.366 -0.834 . . . . 0.0 109.064 172.923 . . . . . . . . 0 0 . 1 . 014 nuclear nobuild core ' A' A ' 3' ' ' ARG . . . . . . . . . . . . . 59.8 ttp180 . . . . . 0 N--CA 1.45 -0.432 0 N-CA-C 108.779 -0.823 . . . . 0.0 108.779 . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild core ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 1.7 m -93.65 125.43 38.26 Favored 'General case' 0 C--N 1.318 -0.789 0 CA-C-N 115.542 -0.754 . . . . 0.0 110.23 -175.739 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 5' ' ' ILE . . . . . . . . . . . . . 2.7 pp -129.75 174.03 13.2 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.571 0 CA-C-O 120.986 0.422 . . . . 0.0 111.317 -175.184 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 6' ' ' PHE . . . . . . . . . . . . . 98.7 m-85 -92.59 106.09 18.13 Favored 'General case' 0 C--N 1.321 -0.656 0 N-CA-C 109.54 -0.541 . . . . 0.0 109.54 175.373 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 7' ' ' CYS . . . . . 0.57 ' SG ' ' HB2' ' A' ' 10' ' ' LEU . 13.8 p -82.4 140.15 33.63 Favored 'General case' 0 C--N 1.323 -0.582 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.662 -177.968 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 12.7 p -75.36 -20.27 59.1 Favored 'General case' 0 C--N 1.326 -0.442 0 N-CA-C 112.644 0.609 . . . . 0.0 112.644 -175.635 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 9' ' ' TYR . . . . . . . . . . . . . 47.1 t80 -74.71 -50.05 18.93 Favored 'General case' 0 C--N 1.327 -0.398 0 C-N-CA 120.683 -0.407 . . . . 0.0 110.732 178.239 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 10' ' ' LEU . . . . . 0.57 ' HB2' ' SG ' ' A' ' 7' ' ' CYS . 68.7 mt -86.59 -19.16 29.79 Favored 'General case' 0 C--N 1.325 -0.468 0 CA-C-N 116.459 -0.337 . . . . 0.0 110.578 -179.018 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 74.4 mm-40 63.13 28.11 15.91 Favored 'General case' 0 C--O 1.233 0.194 0 CA-C-N 115.684 -0.689 . . . . 0.0 111.166 179.713 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 29.5 ptt180 -155.27 176.73 12.19 Favored 'General case' 0 N--CA 1.448 -0.54 0 CA-C-O 121.211 0.529 . . . . 0.0 111.295 177.948 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 20.7 t70 -66.51 123.97 21.49 Favored 'General case' 0 C--N 1.323 -0.561 0 CA-C-N 114.707 -1.133 . . . . 0.0 111.853 -173.441 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -156.5 168.03 28.63 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.279 -179.167 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 15' ' ' GLU . . . . . 0.553 ' O ' ' HA ' ' A' ' 35' ' ' SER . 9.1 mp0 -70.01 125.3 26.34 Favored 'General case' 0 CA--C 1.514 -0.432 0 N-CA-C 110.188 -0.301 . . . . 0.0 110.188 -179.274 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . -71.66 160.42 54.05 Favored Glycine 0 N--CA 1.447 -0.624 0 C-N-CA 120.579 -0.82 . . . . 0.0 111.44 177.057 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 17' ' ' GLN . . . . . 0.471 ' NE2' ' HA ' ' A' ' 36' ' ' LYS . 9.3 tp-100 -66.54 163.61 18.3 Favored 'General case' 0 C--N 1.327 -0.412 0 N-CA-C 109.321 -0.622 . . . . 0.0 109.321 177.902 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 11.5 t70 -73.71 -94.29 0.02 OUTLIER 'General case' 0 C--N 1.327 -0.371 0 N-CA-C 112.849 0.685 . . . . 0.0 112.849 -168.32 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 24.2 m-85 -147.74 -171.55 3.84 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 121.07 0.462 . . . . 0.0 111.94 -174.443 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 13.9 mm100 -70.87 93.88 1.01 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 115.249 -0.887 . . . . 0.0 110.921 -178.106 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -107.58 -2.49 20.25 Favored 'General case' 0 C--N 1.321 -0.659 0 CA-C-N 115.955 -0.566 . . . . 0.0 111.498 179.27 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 22' ' ' TYR . . . . . 0.491 ' HB3' ' HD3' ' A' ' 23' ' ' PRO . 71.1 t80 -168.28 -54.54 0.0 OUTLIER Pre-proline 0 CA--C 1.538 0.509 0 N-CA-C 112.519 0.563 . . . . 0.0 112.519 -179.428 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 23' ' ' PRO . . . . . 0.491 ' HD3' ' HB3' ' A' ' 22' ' ' TYR . 2.8 Cg_endo -84.47 -178.61 3.44 Favored 'Trans proline' 0 C--N 1.357 0.985 0 C-N-CA 122.133 1.889 . . . . 0.0 112.736 -174.112 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -111.09 -128.16 5.26 Favored Glycine 0 N--CA 1.45 -0.381 0 C-N-CA 120.968 -0.634 . . . . 0.0 112.962 -177.946 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 25' ' ' GLU . . . . . 0.42 ' O ' ' HG2' ' A' ' 28' ' ' LYS . 0.8 OUTLIER -58.89 -46.81 86.94 Favored 'General case' 0 N--CA 1.465 0.289 0 N-CA-C 112.497 0.554 . . . . 0.0 112.497 -174.422 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 91.3 mt -64.46 -34.55 78.46 Favored 'General case' 0 C--N 1.326 -0.455 0 CA-C-O 120.714 0.292 . . . . 0.0 110.35 179.4 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 27' ' ' GLY . . . . . 0.447 ' HA3' ' HB2' ' A' ' 23' ' ' PRO . . . -60.09 -55.87 27.85 Favored Glycine 0 N--CA 1.445 -0.766 0 C-N-CA 120.771 -0.728 . . . . 0.0 111.794 178.383 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 28' ' ' LYS . . . . . 0.42 ' HG2' ' O ' ' A' ' 25' ' ' GLU . 47.6 pttt -64.33 -35.65 81.57 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.585 0.231 . . . . 0.0 110.69 -177.934 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 59.8 ttt180 -57.99 -54.99 40.68 Favored 'General case' 0 N--CA 1.454 -0.263 0 N-CA-C 109.991 -0.374 . . . . 0.0 109.991 177.512 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 30' ' ' ILE . . . . . . . . . . . . . 88.2 mt -62.57 -37.65 79.45 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.422 0 CA-C-N 115.661 -0.7 . . . . 0.0 110.858 -179.34 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 31' ' ' TYR . . . . . . . . . . . . . 15.5 m-30 -61.68 -26.51 68.07 Favored 'General case' 0 C--N 1.327 -0.384 0 N-CA-C 111.749 0.278 . . . . 0.0 111.749 -179.191 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 32' ' ' ASN . . . . . . . . . . . . . 26.5 m-80 -87.72 -5.65 58.57 Favored 'General case' 0 C--N 1.326 -0.449 0 N-CA-C 112.063 0.394 . . . . 0.0 112.063 -179.7 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 33' ' ' GLU . . . . . 0.463 ' O ' ' HA ' ' A' ' 7' ' ' CYS . 8.7 pt-20 -132.43 13.93 4.55 Favored 'General case' 0 C--N 1.326 -0.439 0 CA-C-O 121.125 0.488 . . . . 0.0 111.178 178.612 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 34' ' ' ILE . . . . . 0.445 HD13 ' HA ' ' A' ' 34' ' ' ILE . 11.7 mm -135.14 133.61 53.11 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.424 0 CA-C-O 121.256 0.551 . . . . 0.0 110.665 178.025 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 35' ' ' SER . . . . . 0.553 ' HA ' ' O ' ' A' ' 15' ' ' GLU . 15.6 t -74.28 158.2 34.47 Favored 'General case' 0 C--N 1.323 -0.578 0 CA-C-N 115.144 -0.934 . . . . 0.0 111.88 -176.207 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 36' ' ' LYS . . . . . 0.471 ' HA ' ' NE2' ' A' ' 17' ' ' GLN . 32.1 mmtp -50.85 -42.49 58.7 Favored 'General case' 0 C--O 1.232 0.159 0 CA-C-N 115.269 -0.878 . . . . 0.0 109.67 169.993 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 2.5 m-20 -64.77 -56.81 11.31 Favored 'General case' 0 CA--C 1.518 -0.281 0 CA-C-N 115.186 -0.916 . . . . 0.0 110.472 179.373 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -56.83 -44.91 82.53 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 115.642 -0.708 . . . . 0.0 112.056 -175.325 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 39' ' ' TRP . . . . . . . . . . . . . 76.8 t-105 -64.08 -43.54 95.11 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-O 120.981 0.42 . . . . 0.0 110.732 -178.953 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -67.58 -40.52 84.84 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 115.938 -0.574 . . . . 0.0 110.753 -179.55 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 90.4 mt-30 -57.7 -45.6 85.46 Favored 'General case' 0 C--N 1.331 -0.21 0 CA-C-N 115.822 -0.626 . . . . 0.0 111.166 178.992 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 42' ' ' TRP . . . . . . . . . . . . . 25.1 t-105 -62.64 -49.48 75.01 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.444 -0.343 . . . . 0.0 111.189 -179.901 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 43' ' ' GLN . . . . . . . . . . . . . 41.2 mt-30 -60.42 -42.56 96.28 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-O 120.914 0.388 . . . . 0.0 110.29 179.771 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 44' ' ' HIS . . . . . . . . . . . . . 8.2 t-160 -60.18 -47.49 85.72 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 115.769 -0.65 . . . . 0.0 110.105 179.383 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 17.3 tppt? -61.44 -52.42 64.61 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 115.434 -0.803 . . . . 0.0 110.738 178.727 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 46' ' ' GLN . . . . . 0.561 ' O ' HG13 ' A' ' 50' ' ' ILE . 6.6 tp-100 -62.93 -37.25 86.26 Favored 'General case' 0 C--O 1.22 -0.461 0 CA-C-N 116.347 -0.388 . . . . 0.0 111.297 -176.476 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 89.0 m -56.42 -44.92 80.82 Favored 'General case' 0 C--O 1.237 0.422 0 CA-C-O 121.198 0.523 . . . . 0.0 110.421 176.919 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 48' ' ' MET . . . . . . . . . . . . . 26.9 ttt -63.0 -44.64 95.46 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 115.74 -0.664 . . . . 0.0 110.007 176.425 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 8.5 mp -61.51 -38.33 86.95 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 115.961 -0.563 . . . . 0.0 111.747 -179.835 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 50' ' ' ILE . . . . . 0.561 HG13 ' O ' ' A' ' 46' ' ' GLN . 76.4 mt -62.71 -36.71 76.58 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.428 0 CA-C-O 120.75 0.31 . . . . 0.0 110.458 178.176 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 51' ' ' ASN . . . . . . . . . . . . . 87.7 m-20 -76.44 -26.99 56.04 Favored 'General case' 0 C--N 1.323 -0.555 0 CA-C-N 116.381 -0.372 . . . . 0.0 111.208 178.449 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 13.3 mm-40 -84.09 -48.65 9.66 Favored 'General case' 0 C--N 1.324 -0.536 0 CA-C-N 116.344 -0.389 . . . . 0.0 111.397 -179.453 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 93.9 mttt -73.33 -28.95 62.36 Favored 'General case' 0 C--N 1.324 -0.502 0 N-CA-C 109.568 -0.53 . . . . 0.0 109.568 178.447 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 97.3 mttt 51.33 77.39 0.14 Allowed 'General case' 0 C--O 1.234 0.248 0 CA-C-N 115.128 -0.942 . . . . 0.0 111.077 -175.028 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 55' ' ' LEU . . . . . 0.441 ' O ' HD12 ' A' ' 55' ' ' LEU . 2.8 pp -126.0 155.31 41.64 Favored 'General case' 0 C--N 1.322 -0.601 0 CA-C-N 114.697 -1.138 . . . . 0.0 110.866 -177.137 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 56' ' ' ASN . . . . . . . . . . . . . 9.2 m120 -98.39 119.82 37.73 Favored 'General case' 0 C--N 1.323 -0.584 0 CA-C-N 115.805 -0.634 . . . . 0.0 109.834 179.13 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 57' ' ' MET . . . . . . . . . . . . . 21.1 mmt -74.41 -7.26 52.31 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-O 120.97 0.414 . . . . 0.0 111.165 179.25 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 58' ' ' MET . . . . . . . . . . . . . 1.9 mpt? -64.78 -32.53 74.26 Favored 'General case' 0 C--N 1.327 -0.413 0 CA-C-N 115.941 -0.572 . . . . 0.0 110.402 176.666 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 59' ' ' ASN . . . . . . . . . . . . . 15.1 m120 -81.61 136.31 35.54 Favored 'General case' 0 C--N 1.325 -0.477 0 CA-C-N 115.936 -0.574 . . . . 0.0 110.32 -179.181 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -58.73 -30.39 67.43 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.15 -179.433 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 48.5 mt-10 -46.28 -55.99 6.43 Favored 'General case' 0 N--CA 1.464 0.244 0 CA-C-N 115.682 -0.69 . . . . 0.0 111.233 174.958 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 62' ' ' HIS . . . . . . . . . . . . . 29.2 m80 -85.38 -21.07 29.01 Favored 'General case' 0 C--N 1.323 -0.562 0 CA-C-N 115.206 -0.906 . . . . 0.0 110.847 -171.961 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 63' ' ' ARG . . . . . . . . . . . . . 22.7 tpp180 -65.28 -50.44 65.73 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.225 178.345 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 64' ' ' LYS . . . . . 0.55 ' O ' ' HG3' ' A' ' 68' ' ' GLN . 45.4 pttt -75.13 -26.77 59.44 Favored 'General case' 0 C--N 1.327 -0.387 0 C-N-CA 120.37 -0.532 . . . . 0.0 109.973 179.081 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 65' ' ' LEU . . . . . 0.427 ' O ' ' HG3' ' A' ' 69' ' ' GLU . 60.9 tp -59.42 -46.42 88.77 Favored 'General case' 0 C--O 1.233 0.196 0 N-CA-C 109.749 -0.463 . . . . 0.0 109.749 174.868 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 54.7 tp -54.87 -46.1 74.67 Favored 'General case' 0 N--CA 1.454 -0.25 0 CA-C-N 115.663 -0.699 . . . . 0.0 110.435 174.774 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 67' ' ' GLU . . . . . 0.478 ' O ' HG23 ' A' ' 71' ' ' VAL . 35.8 tt0 -59.07 -50.95 72.1 Favored 'General case' 0 C--N 1.331 -0.239 0 CA-C-N 115.973 -0.558 . . . . 0.0 110.826 178.248 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 68' ' ' GLN . . . . . 0.55 ' HG3' ' O ' ' A' ' 64' ' ' LYS . 23.4 mt-30 -58.94 -44.66 91.44 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.36 -0.382 . . . . 0.0 111.193 -177.836 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 69' ' ' GLU . . . . . 0.427 ' HG3' ' O ' ' A' ' 65' ' ' LEU . 33.2 mt-10 -66.44 -39.16 88.73 Favored 'General case' 0 C--N 1.331 -0.198 0 CA-C-O 120.873 0.368 . . . . 0.0 110.239 178.618 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 70' ' ' MET . . . . . . . . . . . . . 49.8 ttm -62.54 -48.55 79.03 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.847 179.961 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 71' ' ' VAL . . . . . 0.478 HG23 ' O ' ' A' ' 67' ' ' GLU . 59.5 t -65.88 -24.69 34.6 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 CA-C-N 115.741 -0.663 . . . . 0.0 110.57 -179.772 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 9.3 t -79.71 -33.54 40.86 Favored 'General case' 0 C--N 1.323 -0.56 0 CA-C-O 120.832 0.348 . . . . 0.0 110.673 178.746 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 73' ' ' PHE . . . . . . . . . . . . . 64.0 t80 -86.58 -51.39 6.19 Favored 'General case' 0 C--N 1.324 -0.535 0 CA-C-N 116.326 -0.397 . . . . 0.0 111.522 -174.871 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 74' ' ' LEU . . . . . . . . . . . . . 96.1 mt -92.56 -36.95 12.74 Favored 'General case' 0 C--N 1.324 -0.517 0 N-CA-C 112.087 0.403 . . . . 0.0 112.087 -172.992 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 75' ' ' PHE . . . . . 0.426 ' HB3' ' O ' ' A' ' 71' ' ' VAL . 21.3 t80 -90.73 -42.7 10.56 Favored 'General case' 0 C--N 1.323 -0.544 0 CA-C-N 116.362 -0.381 . . . . 0.0 110.929 -172.477 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 21.8 mm-40 63.28 24.25 14.19 Favored 'General case' 0 N--CA 1.467 0.397 0 CA-C-N 115.851 -0.613 . . . . 0.0 111.488 -179.01 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . -134.76 65.78 0.57 Allowed Glycine 0 N--CA 1.448 -0.504 0 N-CA-C 111.375 -0.69 . . . . 0.0 111.375 177.452 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -119.79 128.98 54.23 Favored 'General case' 0 C--N 1.323 -0.575 0 CA-C-O 121.296 0.569 . . . . 0.0 111.517 -176.235 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 79' ' ' ASP . . . . . . . . . . . . . 7.7 m-20 -101.12 -21.02 15.08 Favored 'General case' 0 C--N 1.321 -0.641 0 CA-C-N 115.387 -0.824 . . . . 0.0 109.987 178.45 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 80' ' ' VAL . . . . . . . . . . . . . 18.9 t . . . . . 0 C--N 1.329 -0.285 0 CA-C-N 115.567 -0.742 . . . . 0.0 110.567 -178.517 . . . . . . . . 0 0 . 1 . 015 nuclear nobuild core ' A' A ' 3' ' ' ARG . . . . . . . . . . . . . 17.9 ptp180 . . . . . 0 C--O 1.231 0.097 0 CA-C-O 120.972 0.415 . . . . 0.0 110.495 . . . . . . . . . 0 0 . 1 . 015 nuclear nobuild core ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 9.0 p -86.58 104.01 15.62 Favored 'General case' 0 C--N 1.322 -0.594 0 CA-C-N 115.835 -0.62 . . . . 0.0 110.6 179.647 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 5' ' ' ILE . . . . . . . . . . . . . 2.8 pp -118.04 167.44 11.26 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.667 0 CA-C-N 115.778 -0.646 . . . . 0.0 111.468 -174.809 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 6' ' ' PHE . . . . . . . . . . . . . 99.5 m-85 -93.23 101.15 13.41 Favored 'General case' 0 C--N 1.323 -0.555 0 CA-C-N 116.215 -0.448 . . . . 0.0 109.81 178.248 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 7' ' ' CYS . . . . . 0.438 ' HA ' ' O ' ' A' ' 33' ' ' GLU . 53.5 t -72.7 130.57 40.82 Favored 'General case' 0 C--N 1.324 -0.512 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.69 -178.053 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 3.6 p -64.65 -41.34 96.18 Favored 'General case' 0 C--N 1.326 -0.45 0 CA-C-N 116.088 -0.506 . . . . 0.0 112.006 -178.262 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 9' ' ' TYR . . . . . . . . . . . . . 66.1 t80 -75.48 -37.94 59.91 Favored 'General case' 0 C--N 1.324 -0.508 0 CA-C-N 116.458 -0.337 . . . . 0.0 111.102 -176.612 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 98.6 mt -84.93 -32.95 22.81 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.569 -0.287 . . . . 0.0 111.73 -177.143 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 86.0 mm-40 62.71 32.15 16.28 Favored 'General case' 0 N--CA 1.464 0.244 0 CA-C-O 121.461 0.648 . . . . 0.0 110.041 -174.156 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 27.9 mmt180 -135.52 176.37 8.74 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 115.105 -0.952 . . . . 0.0 109.627 -179.657 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 10.8 m-20 -84.75 121.6 27.92 Favored 'General case' 0 C--N 1.324 -0.531 0 N-CA-C 108.968 -0.753 . . . . 0.0 108.968 173.961 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -140.95 173.34 11.58 Favored 'General case' 0 C--N 1.318 -0.783 0 CA-C-N 116.433 -0.348 . . . . 0.0 110.296 -178.087 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 11.3 pt-20 -78.23 144.02 36.61 Favored 'General case' 0 C--N 1.323 -0.545 0 N-CA-C 110.078 -0.341 . . . . 0.0 110.078 179.601 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . -77.49 41.01 1.82 Allowed Glycine 0 C--O 1.229 -0.166 0 C-N-CA 121.183 -0.532 . . . . 0.0 112.792 179.045 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 17' ' ' GLN . . . . . . . . . . . . . 15.8 pt20 43.75 -151.94 0.03 OUTLIER 'General case' 0 CA--C 1.541 0.623 0 C-N-CA 124.766 1.227 . . . . 0.0 113.391 175.625 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 2.5 m-20 -68.77 176.49 3.0 Favored 'General case' 0 N--CA 1.465 0.303 0 CA-C-O 121.534 0.683 . . . . 0.0 112.338 -177.856 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 63.0 t80 -90.78 164.12 14.21 Favored 'General case' 0 C--N 1.324 -0.503 0 CA-C-N 115.297 -0.865 . . . . 0.0 110.198 179.77 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 15.4 mm100 -44.92 127.54 6.51 Favored 'General case' 0 N--CA 1.465 0.321 0 O-C-N 123.81 0.694 . . . . 0.0 112.109 178.026 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 3.4 mp -101.84 -69.62 0.78 Allowed 'General case' 0 C--N 1.326 -0.415 0 CA-C-N 116.011 -0.54 . . . . 0.0 109.597 178.604 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 22' ' ' TYR . . . . . 0.574 ' H ' ' HD2' ' A' ' 23' ' ' PRO . 58.6 m-85 -140.71 -44.43 0.02 OUTLIER Pre-proline 0 C--N 1.326 -0.451 0 CA-C-N 115.567 -0.742 . . . . 0.0 111.963 -178.267 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 23' ' ' PRO . . . . . 0.574 ' HD2' ' H ' ' A' ' 22' ' ' TYR . 48.1 Cg_exo -58.06 136.81 77.3 Favored 'Trans proline' 0 C--N 1.359 1.081 0 C-N-CA 121.646 1.564 . . . . 0.0 111.822 174.296 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -89.24 -111.88 1.28 Allowed Glycine 0 N--CA 1.449 -0.485 0 C-N-CA 120.916 -0.659 . . . . 0.0 113.402 -171.794 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 29.9 mm-40 -64.58 -37.1 86.39 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.803 0.335 . . . . 0.0 110.993 -175.38 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 56.6 tp -69.1 -36.13 77.21 Favored 'General case' 0 C--N 1.323 -0.573 0 CA-C-N 116.311 -0.404 . . . . 0.0 110.0 177.414 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 27' ' ' GLY . . . . . 0.493 ' HA3' ' HB2' ' A' ' 23' ' ' PRO . . . -61.71 -57.62 16.83 Favored Glycine 0 N--CA 1.448 -0.557 0 C-N-CA 120.972 -0.632 . . . . 0.0 112.15 179.073 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 17.6 ptpt -60.47 -31.13 70.16 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-O 120.829 0.347 . . . . 0.0 110.905 -178.657 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 78.7 ttt180 -62.28 -39.26 92.38 Favored 'General case' 0 C--N 1.332 -0.193 0 CA-C-N 115.837 -0.62 . . . . 0.0 110.443 178.558 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 30' ' ' ILE . . . . . . . . . . . . . 70.5 mt -79.23 -43.6 24.0 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.565 0 CA-C-N 116.303 -0.408 . . . . 0.0 110.264 179.13 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 31' ' ' TYR . . . . . 0.424 ' HE1' ' CH2' ' A' ' 39' ' ' TRP . 16.7 m-30 -65.54 -28.21 69.0 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.151 -0.477 . . . . 0.0 112.261 -173.628 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 32' ' ' ASN . . . . . . . . . . . . . 0.0 OUTLIER -93.23 1.36 57.1 Favored 'General case' 0 C--N 1.329 -0.322 0 C-N-CA 120.112 -0.635 . . . . 0.0 111.535 -177.82 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 33' ' ' GLU . . . . . 0.438 ' O ' ' HA ' ' A' ' 7' ' ' CYS . 45.4 mt-10 -124.1 0.96 8.53 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-O 121.436 0.636 . . . . 0.0 110.277 176.074 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 34' ' ' ILE . . . . . 0.439 HG13 ' HB3' ' A' ' 74' ' ' LEU . 9.3 mm -129.97 139.57 51.17 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.507 0 CA-C-N 115.407 -0.815 . . . . 0.0 109.804 176.597 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 9.4 t -100.46 171.08 7.96 Favored 'General case' 0 N--CA 1.442 -0.833 0 CA-C-O 121.558 0.694 . . . . 0.0 111.199 -179.501 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 19.9 ttmm -58.14 -32.58 68.29 Favored 'General case' 0 C--N 1.317 -0.815 0 CA-C-N 114.363 -1.289 . . . . 0.0 112.223 -177.204 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 5.8 p-10 -70.95 -40.21 72.13 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-O 120.844 0.354 . . . . 0.0 110.557 -177.352 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -79.29 -38.4 35.44 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.897 179.803 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 39' ' ' TRP . . . . . 0.424 ' CH2' ' HE1' ' A' ' 31' ' ' TYR . 72.2 t-105 -61.43 -49.07 78.31 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 115.879 -0.6 . . . . 0.0 110.488 179.672 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -66.81 -36.89 83.42 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.525 179.668 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 6.3 tp-100 -56.3 -53.66 54.62 Favored 'General case' 0 C--O 1.233 0.204 0 CA-C-N 115.677 -0.692 . . . . 0.0 110.943 178.216 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 42' ' ' TRP . . . . . 0.555 ' HE1' ' HA ' ' A' ' 70' ' ' MET . 40.6 t-105 -79.28 -34.27 42.65 Favored 'General case' 0 N--CA 1.451 -0.401 0 C-N-CA 120.414 -0.514 . . . . 0.0 111.798 -173.294 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 43' ' ' GLN . . . . . . . . . . . . . 30.9 mt-30 -63.86 -39.99 95.5 Favored 'General case' 0 C--N 1.33 -0.278 0 C-N-CA 120.206 -0.598 . . . . 0.0 110.917 177.527 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 44' ' ' HIS . . . . . . . . . . . . . 69.7 t60 -63.04 -47.44 82.99 Favored 'General case' 0 C--N 1.324 -0.536 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.268 179.161 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 57.7 tptt -69.31 -42.63 75.14 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 115.635 -0.711 . . . . 0.0 111.078 -178.226 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 46' ' ' GLN . . . . . 0.531 ' O ' HG13 ' A' ' 50' ' ' ILE . 59.0 tp60 -61.21 -43.72 98.43 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 116.381 -0.372 . . . . 0.0 110.681 -179.505 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 29.7 m -61.32 -39.04 89.03 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.938 0.399 . . . . 0.0 110.437 179.05 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 48' ' ' MET . . . . . . . . . . . . . 52.2 tpp -68.21 -36.96 80.35 Favored 'General case' 0 C--N 1.332 -0.193 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.068 177.643 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 4.1 mp -63.33 -41.05 98.87 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.114 -0.493 . . . . 0.0 110.695 175.757 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 50' ' ' ILE . . . . . 0.531 HG13 ' O ' ' A' ' 46' ' ' GLN . 81.7 mt -62.08 -42.05 93.49 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.436 0 CA-C-O 121.064 0.459 . . . . 0.0 110.333 176.661 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 51' ' ' ASN . . . . . . . . . . . . . 26.1 t-20 -66.58 -35.83 81.16 Favored 'General case' 0 C--N 1.325 -0.488 0 CA-C-N 115.592 -0.731 . . . . 0.0 111.009 178.12 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 3.6 mm-40 -80.29 -46.99 15.24 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-N 115.868 -0.605 . . . . 0.0 112.405 -177.239 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 66.6 mttm -74.04 -22.09 59.69 Favored 'General case' 0 C--N 1.324 -0.536 0 N-CA-C 109.863 -0.421 . . . . 0.0 109.863 179.325 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 49.5 mttm 58.9 41.84 20.61 Favored 'General case' 0 CA--C 1.521 -0.153 0 CA-C-N 115.248 -0.887 . . . . 0.0 110.58 178.0 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 3.6 pp -88.73 150.76 22.81 Favored 'General case' 0 C--N 1.323 -0.545 0 CA-C-N 114.861 -1.063 . . . . 0.0 110.507 -178.624 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 56' ' ' ASN . . . . . 0.408 HD22 ' HA ' ' A' ' 56' ' ' ASN . 11.1 m120 -112.61 135.68 53.04 Favored 'General case' 0 C--N 1.324 -0.535 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.201 -179.001 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 57' ' ' MET . . . . . . . . . . . . . 1.2 mpt? -75.82 -1.18 23.98 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 115.836 -0.62 . . . . 0.0 110.088 175.596 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 58' ' ' MET . . . . . . . . . . . . . 81.2 mtp -63.95 -30.29 71.38 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 114.845 -1.07 . . . . 0.0 109.922 175.059 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 59' ' ' ASN . . . . . . . . . . . . . 3.9 m-20 -102.26 131.37 48.87 Favored 'General case' 0 C--O 1.238 0.452 0 CA-C-N 115.491 -0.777 . . . . 0.0 109.829 177.977 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -59.71 -27.33 66.36 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 116.147 -0.478 . . . . 0.0 111.924 -175.71 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 13.2 mm-40 -59.74 -30.66 68.99 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.309 -0.405 . . . . 0.0 111.587 179.945 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 62' ' ' HIS . . . . . . . . . . . . . 95.9 m-70 -92.24 -15.1 27.95 Favored 'General case' 0 C--N 1.322 -0.628 0 C-N-CA 120.363 -0.535 . . . . 0.0 110.892 -178.408 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 63' ' ' ARG . . . . . . . . . . . . . 5.4 tpm_? -73.34 -49.67 26.11 Favored 'General case' 0 C--N 1.324 -0.512 0 N-CA-C 109.074 -0.713 . . . . 0.0 109.074 172.403 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 16.9 ptpt -64.29 -29.38 70.47 Favored 'General case' 0 C--N 1.332 -0.184 0 CA-C-N 115.823 -0.626 . . . . 0.0 110.198 176.727 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -66.31 -44.88 82.17 Favored 'General case' 0 CA--C 1.532 0.264 0 CA-C-N 116.084 -0.507 . . . . 0.0 110.052 176.339 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 5.2 tt -59.49 -45.27 92.15 Favored 'General case' 0 C--O 1.236 0.343 0 N-CA-C 109.476 -0.564 . . . . 0.0 109.476 178.249 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 67' ' ' GLU . . . . . 0.424 ' O ' HG23 ' A' ' 71' ' ' VAL . 0.5 OUTLIER -54.22 -49.98 68.19 Favored 'General case' 0 C--N 1.332 -0.168 0 CA-C-N 115.747 -0.661 . . . . 0.0 110.37 173.888 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 68' ' ' GLN . . . . . . . . . . . . . 42.9 mt-30 -55.59 -60.64 3.14 Favored 'General case' 0 C--N 1.326 -0.45 0 CA-C-N 116.019 -0.537 . . . . 0.0 112.252 -179.108 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 48.1 mt-10 -59.27 -47.23 86.13 Favored 'General case' 0 C--O 1.235 0.336 0 CA-C-O 120.981 0.42 . . . . 0.0 111.662 -173.798 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 70' ' ' MET . . . . . 0.555 ' HA ' ' HE1' ' A' ' 42' ' ' TRP . 48.2 ttm -65.72 -46.99 76.86 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-N 116.268 -0.424 . . . . 0.0 111.735 -176.104 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 71' ' ' VAL . . . . . 0.424 HG23 ' O ' ' A' ' 67' ' ' GLU . 61.6 t -69.61 -27.27 33.14 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.43 0 C-N-CA 120.918 -0.313 . . . . 0.0 110.781 -177.717 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 72' ' ' SER . . . . . 0.464 ' OG ' ' HD2' ' A' ' 78' ' ' LYS . 24.6 m -65.79 -46.14 79.77 Favored 'General case' 0 N--CA 1.465 0.281 0 CA-C-O 120.82 0.343 . . . . 0.0 111.755 177.866 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 73' ' ' PHE . . . . . . . . . . . . . 46.5 t80 -81.84 -39.3 24.16 Favored 'General case' 0 C--N 1.325 -0.475 0 CA-C-N 116.114 -0.494 . . . . 0.0 111.669 -172.403 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 74' ' ' LEU . . . . . 0.439 ' HB3' HG13 ' A' ' 34' ' ' ILE . 95.4 mt -92.89 -40.9 10.35 Favored 'General case' 0 C--N 1.322 -0.629 0 N-CA-C 112.63 0.604 . . . . 0.0 112.63 -172.65 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 75' ' ' PHE . . . . . . . . . . . . . 30.5 t80 -105.53 -42.97 5.07 Favored 'General case' 0 C--N 1.326 -0.438 0 C-N-CA 120.807 -0.357 . . . . 0.0 111.856 -170.135 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 45.1 mt-10 65.66 15.33 10.0 Favored 'General case' 0 N--CA 1.469 0.478 0 C-N-CA 123.372 0.669 . . . . 0.0 112.129 179.79 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . -97.99 24.61 31.02 Favored Glycine 0 CA--C 1.517 0.16 0 C-N-CA 120.682 -0.77 . . . . 0.0 112.354 -178.827 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 78' ' ' LYS . . . . . 0.464 ' HD2' ' OG ' ' A' ' 72' ' ' SER . 0.0 OUTLIER -125.92 144.35 50.72 Favored 'General case' 0 C--N 1.321 -0.642 0 N-CA-C 110.136 -0.32 . . . . 0.0 110.136 179.46 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 79' ' ' ASP . . . . . . . . . . . . . 11.6 p-10 -107.6 1.7 23.45 Favored 'General case' 0 C--N 1.321 -0.636 0 CA-C-N 116.25 -0.432 . . . . 0.0 111.226 -177.703 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 80' ' ' VAL . . . . . . . . . . . . . 22.0 t . . . . . 0 C--N 1.327 -0.413 0 CA-C-N 116.635 -0.257 . . . . 0.0 110.554 -178.429 . . . . . . . . 0 0 . 1 . 016 nuclear nobuild core ' A' A ' 3' ' ' ARG . . . . . . . . . . . . . 16.6 ptm180 . . . . . 0 N--CA 1.448 -0.539 0 N-CA-C 108.12 -1.067 . . . . 0.0 108.12 . . . . . . . . . 0 0 . 1 . 016 nuclear nobuild core ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 9.5 m -78.03 109.4 12.06 Favored 'General case' 0 C--N 1.317 -0.82 0 CA-C-N 115.777 -0.647 . . . . 0.0 110.9 -172.655 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 5' ' ' ILE . . . . . . . . . . . . . 2.6 pp -123.8 164.89 21.11 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.754 0 CA-C-N 115.457 -0.792 . . . . 0.0 110.385 -179.494 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 6' ' ' PHE . . . . . . . . . . . . . 86.2 m-85 -99.76 97.31 8.26 Favored 'General case' 0 C--N 1.32 -0.687 0 N-CA-C 109.508 -0.552 . . . . 0.0 109.508 176.28 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 7' ' ' CYS . . . . . 0.667 ' SG ' ' HB2' ' A' ' 10' ' ' LEU . 16.9 p -67.51 142.68 56.49 Favored 'General case' 0 C--N 1.322 -0.592 0 CA-C-N 115.345 -0.843 . . . . 0.0 111.573 -174.489 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 6.8 m -69.75 -27.13 64.68 Favored 'General case' 0 C--N 1.324 -0.54 0 CA-C-N 115.962 -0.563 . . . . 0.0 111.525 -177.872 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 9' ' ' TYR . . . . . . . . . . . . . 72.1 t80 -74.25 -53.22 10.22 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-N 116.517 -0.31 . . . . 0.0 111.264 -177.696 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 10' ' ' LEU . . . . . 0.667 ' HB2' ' SG ' ' A' ' 7' ' ' CYS . 89.9 mt -90.13 -18.58 25.56 Favored 'General case' 0 C--N 1.331 -0.236 0 N-CA-C 111.593 0.22 . . . . 0.0 111.593 -176.608 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 28.4 mm-40 68.52 9.15 7.12 Favored 'General case' 0 N--CA 1.469 0.513 0 C-N-CA 122.837 0.455 . . . . 0.0 111.716 179.322 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 49.2 mtt180 -131.02 -171.34 2.55 Favored 'General case' 0 C--N 1.327 -0.403 0 N-CA-C 110.455 -0.202 . . . . 0.0 110.455 -178.714 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 5.0 p-10 -65.19 136.3 56.48 Favored 'General case' 0 C--O 1.234 0.25 0 CA-C-O 121.243 0.544 . . . . 0.0 111.289 -176.178 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 14' ' ' ALA . . . . . 0.422 ' HB1' ' HB2' ' A' ' 35' ' ' SER . . . -156.98 179.36 9.37 Favored 'General case' 0 C--N 1.319 -0.737 0 CA-C-N 115.336 -0.847 . . . . 0.0 109.315 177.45 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 12.8 pt-20 -104.82 154.68 19.72 Favored 'General case' 0 C--N 1.323 -0.579 0 N-CA-C 110.198 -0.297 . . . . 0.0 110.198 -178.946 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . -61.12 134.99 48.75 Favored Glycine 0 N--CA 1.445 -0.705 0 C-N-CA 120.821 -0.704 . . . . 0.0 111.828 175.035 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 17' ' ' GLN . . . . . . . . . . . . . 0.8 OUTLIER -59.3 -43.0 92.64 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-O 120.918 0.389 . . . . 0.0 110.191 -178.502 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 3.7 t70 -177.18 -163.6 0.09 Allowed 'General case' 0 C--N 1.328 -0.348 0 N-CA-C 108.982 -0.747 . . . . 0.0 108.982 178.361 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -114.11 -171.95 2.0 Favored 'General case' 0 C--N 1.323 -0.585 0 N-CA-C 109.897 -0.409 . . . . 0.0 109.897 -179.213 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 15.4 mm100 -79.46 93.95 5.48 Favored 'General case' 0 C--N 1.322 -0.615 0 CA-C-O 120.98 0.419 . . . . 0.0 110.797 -179.031 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 21' ' ' LEU . . . . . 0.408 ' H ' HD12 ' A' ' 21' ' ' LEU . 0.9 OUTLIER -85.45 -56.34 3.56 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-N 115.972 -0.558 . . . . 0.0 109.989 178.487 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 22' ' ' TYR . . . . . 0.541 ' H ' ' CD ' ' A' ' 23' ' ' PRO . 98.5 m-85 -133.83 -49.63 0.03 OUTLIER Pre-proline 0 CA--C 1.537 0.453 0 CA-C-N 115.925 -0.58 . . . . 0.0 112.199 -177.155 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 23' ' ' PRO . . . . . 0.541 ' CD ' ' H ' ' A' ' 22' ' ' TYR . 22.9 Cg_exo -65.65 165.1 24.13 Favored 'Trans proline' 0 C--N 1.359 1.101 0 C-N-CA 122.002 1.801 . . . . 0.0 112.356 -178.299 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -112.02 -107.37 2.91 Favored Glycine 0 N--CA 1.448 -0.551 0 C-N-CA 120.77 -0.729 . . . . 0.0 112.898 -177.07 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 25' ' ' GLU . . . . . 0.438 ' HA ' ' HE2' ' A' ' 28' ' ' LYS . 16.7 pt-20 -61.1 -42.92 99.4 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.684 0.278 . . . . 0.0 111.65 -174.773 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 58.1 tp -70.45 -32.95 70.72 Favored 'General case' 0 C--N 1.326 -0.451 0 N-CA-C 109.535 -0.543 . . . . 0.0 109.535 179.376 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 27' ' ' GLY . . . . . 0.429 ' HA3' ' HB2' ' A' ' 23' ' ' PRO . . . -59.83 -58.87 11.96 Favored Glycine 0 N--CA 1.445 -0.754 0 CA-C-N 115.485 -0.78 . . . . 0.0 112.099 179.644 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 28' ' ' LYS . . . . . 0.438 ' HE2' ' HA ' ' A' ' 25' ' ' GLU . 61.5 pttt -60.81 -37.97 83.81 Favored 'General case' 0 C--N 1.326 -0.451 0 CA-C-O 120.391 0.138 . . . . 0.0 110.709 -177.084 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 75.4 ttt180 -56.35 -49.28 74.84 Favored 'General case' 0 C--O 1.226 -0.176 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.341 179.166 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 30' ' ' ILE . . . . . 0.434 ' O ' ' HB ' ' A' ' 34' ' ' ILE . 84.0 mt -73.14 -45.79 52.76 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.589 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.292 -178.339 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 31' ' ' TYR . . . . . . . . . . . . . 21.0 m-85 -63.59 -26.23 68.59 Favored 'General case' 0 C--N 1.325 -0.493 0 N-CA-C 112.734 0.642 . . . . 0.0 112.734 -173.732 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 32' ' ' ASN . . . . . . . . . . . . . 0.0 OUTLIER -103.73 0.25 30.27 Favored 'General case' 0 N--CA 1.465 0.314 0 C-N-CA 120.231 -0.588 . . . . 0.0 111.978 179.562 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 48.9 mt-10 -120.41 -4.11 9.9 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 121.072 0.463 . . . . 0.0 110.897 178.088 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 34' ' ' ILE . . . . . 0.441 HD13 ' HA ' ' A' ' 34' ' ' ILE . 4.7 mm -129.45 137.5 56.73 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.528 0 CA-C-O 121.187 0.518 . . . . 0.0 110.827 -179.177 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 35' ' ' SER . . . . . 0.422 ' HB2' ' HB1' ' A' ' 14' ' ' ALA . 47.2 t -94.57 169.98 9.8 Favored 'General case' 0 C--N 1.322 -0.607 0 CA-C-N 115.304 -0.862 . . . . 0.0 110.733 -178.418 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 33.6 mmtp -53.55 -44.28 69.11 Favored 'General case' 0 C--N 1.324 -0.519 0 CA-C-N 115.025 -0.989 . . . . 0.0 110.919 178.706 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 37' ' ' ASP . . . . . 0.447 ' O ' ' HG3' ' A' ' 41' ' ' GLN . 3.2 p-10 -68.0 -48.63 65.23 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-N 115.488 -0.778 . . . . 0.0 111.471 -176.607 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -59.65 -41.46 90.6 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-O 120.711 0.291 . . . . 0.0 111.114 -179.903 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 39' ' ' TRP . . . . . . . . . . . . . 57.6 t-105 -66.5 -42.8 86.83 Favored 'General case' 0 C--O 1.233 0.212 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.205 177.762 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -59.47 -46.76 87.87 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 115.823 -0.626 . . . . 0.0 110.738 179.646 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 41' ' ' GLN . . . . . 0.447 ' HG3' ' O ' ' A' ' 37' ' ' ASP . 27.5 mt-30 -57.32 -45.65 84.02 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 115.972 -0.558 . . . . 0.0 110.63 178.483 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 42' ' ' TRP . . . . . . . . . . . . . 8.2 t-105 -62.52 -59.06 5.48 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 115.764 -0.653 . . . . 0.0 111.603 -176.897 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 43' ' ' GLN . . . . . . . . . . . . . 4.4 mt-30 -65.24 -29.97 70.81 Favored 'General case' 0 C--N 1.327 -0.372 0 C-N-CA 120.789 -0.364 . . . . 0.0 111.614 -176.343 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 44' ' ' HIS . . . . . . . . . . . . . 20.4 t-80 -67.16 -47.78 69.97 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-O 120.916 0.388 . . . . 0.0 109.997 178.133 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 17.5 tppt? -61.74 -44.79 96.22 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 115.646 -0.706 . . . . 0.0 110.13 176.111 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 46' ' ' GLN . . . . . . . . . . . . . 33.9 tt0 -57.94 -48.6 79.44 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 115.476 -0.784 . . . . 0.0 111.161 179.362 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 99.9 m -53.18 -44.91 68.28 Favored 'General case' 0 C--O 1.236 0.356 0 CA-C-O 120.866 0.365 . . . . 0.0 111.086 178.437 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 48' ' ' MET . . . . . . . . . . . . . 43.1 tpp -63.25 -50.54 69.77 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.043 -0.526 . . . . 0.0 111.049 -179.785 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 10.2 mp -65.5 -36.91 85.25 Favored 'General case' 0 C--N 1.326 -0.419 0 N-CA-C 112.042 0.386 . . . . 0.0 112.042 -176.933 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 50' ' ' ILE . . . . . . . . . . . . . 1.5 mp -64.91 -35.62 75.75 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.4 0 CA-C-N 116.629 -0.26 . . . . 0.0 111.178 -179.797 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 51' ' ' ASN . . . . . . . . . . . . . 38.9 m-80 -86.3 -23.55 26.25 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-O 120.865 0.364 . . . . 0.0 110.834 179.781 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 38.0 tt0 -76.59 -56.43 4.62 Favored 'General case' 0 C--N 1.325 -0.482 0 CA-C-N 115.882 -0.599 . . . . 0.0 110.843 178.548 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 66.7 mttm -83.18 -7.28 59.64 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 115.766 -0.652 . . . . 0.0 111.005 -175.023 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 44.3 mtmt 60.99 67.38 0.81 Allowed 'General case' 0 N--CA 1.465 0.28 0 CA-C-N 115.825 -0.625 . . . . 0.0 110.682 179.858 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 54.4 mt -103.11 127.53 50.35 Favored 'General case' 0 C--N 1.324 -0.506 0 CA-C-N 115.653 -0.703 . . . . 0.0 109.991 -178.579 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 56' ' ' ASN . . . . . . . . . . . . . 20.2 m120 -108.84 139.71 43.29 Favored 'General case' 0 C--N 1.322 -0.619 0 CA-C-N 116.474 -0.33 . . . . 0.0 110.654 178.111 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 57' ' ' MET . . . . . . . . . . . . . 1.1 mpt? -84.65 10.61 10.73 Favored 'General case' 0 C--N 1.324 -0.527 0 CA-C-N 115.936 -0.575 . . . . 0.0 110.461 179.649 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 58' ' ' MET . . . . . . . . . . . . . 60.9 mtt -71.51 -28.85 64.18 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-N 115.577 -0.738 . . . . 0.0 109.527 175.101 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 59' ' ' ASN . . . . . . . . . . . . . 17.6 m120 -101.38 126.6 48.17 Favored 'General case' 0 C--N 1.326 -0.439 0 CA-C-N 115.569 -0.741 . . . . 0.0 109.963 178.06 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -64.39 -19.26 65.38 Favored 'General case' 0 C--N 1.326 -0.449 0 CA-C-O 120.965 0.412 . . . . 0.0 110.892 179.994 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 38.2 mt-10 -53.53 -54.03 43.06 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 115.728 -0.669 . . . . 0.0 110.609 176.672 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 62' ' ' HIS . . . . . . . . . . . . . 98.0 m-70 -80.19 -17.64 51.83 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.028 -0.533 . . . . 0.0 110.47 -176.971 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 63' ' ' ARG . . . . . 0.429 ' O ' ' HG ' ' A' ' 66' ' ' LEU . 29.8 tpt180 -65.16 -54.72 25.36 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.019 -0.537 . . . . 0.0 110.375 176.935 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 64' ' ' LYS . . . . . 0.436 ' O ' ' HG3' ' A' ' 68' ' ' GLN . 23.6 pttm -73.91 -22.78 59.57 Favored 'General case' 0 C--N 1.329 -0.297 0 C-N-CA 120.268 -0.573 . . . . 0.0 110.32 179.881 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 65' ' ' LEU . . . . . 0.405 HD22 ' HA ' ' A' ' 65' ' ' LEU . 1.5 tm? -61.83 -48.73 79.25 Favored 'General case' 0 C--N 1.331 -0.204 0 N-CA-C 109.611 -0.515 . . . . 0.0 109.611 176.416 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 66' ' ' LEU . . . . . 0.429 ' HG ' ' O ' ' A' ' 63' ' ' ARG . 2.1 pp -73.8 -21.31 60.19 Favored 'General case' 0 C--N 1.33 -0.242 0 C-N-CA 120.919 -0.313 . . . . 0.0 110.468 -179.356 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 35.6 tt0 -65.75 -45.77 81.35 Favored 'General case' 0 C--O 1.234 0.265 0 N-CA-C 109.105 -0.702 . . . . 0.0 109.105 174.115 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 68' ' ' GLN . . . . . 0.436 ' HG3' ' O ' ' A' ' 64' ' ' LYS . 49.9 mt-30 -56.34 -48.9 75.82 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 115.377 -0.829 . . . . 0.0 110.2 174.704 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 6.1 mm-40 -59.63 -42.2 92.19 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 115.853 -0.612 . . . . 0.0 111.207 178.922 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 70' ' ' MET . . . . . . . . . . . . . 52.3 ttm -58.75 -50.15 75.0 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 115.858 -0.61 . . . . 0.0 110.653 -178.415 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 71' ' ' VAL . . . . . . . . . . . . . 58.8 t -61.06 -37.96 78.51 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.368 0 CA-C-N 115.952 -0.567 . . . . 0.0 110.372 178.322 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 72' ' ' SER . . . . . 0.469 ' OG ' ' HE3' ' A' ' 78' ' ' LYS . 20.7 m -70.23 -44.5 68.43 Favored 'General case' 0 C--N 1.325 -0.464 0 CA-C-N 116.039 -0.528 . . . . 0.0 111.94 -176.083 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 73' ' ' PHE . . . . . . . . . . . . . 37.4 t80 -75.77 -36.71 59.75 Favored 'General case' 0 C--N 1.322 -0.628 0 CA-C-O 120.824 0.345 . . . . 0.0 111.24 -175.535 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 74' ' ' LEU . . . . . . . . . . . . . 69.2 mt -87.75 -43.31 11.98 Favored 'General case' 0 C--N 1.325 -0.462 0 N-CA-C 112.325 0.491 . . . . 0.0 112.325 -173.686 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 75' ' ' PHE . . . . . . . . . . . . . 87.1 t80 -110.96 -44.03 3.67 Favored 'General case' 0 C--N 1.325 -0.476 0 CA-C-O 120.788 0.328 . . . . 0.0 111.131 -175.893 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 6.6 tp10 53.03 77.6 0.16 Allowed 'General case' 0 C--N 1.325 -0.499 0 CA-C-N 115.212 -0.904 . . . . 0.0 111.15 -174.141 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . -151.08 31.76 0.97 Allowed Glycine 0 N--CA 1.443 -0.886 0 N-CA-C 109.889 -1.284 . . . . 0.0 109.889 175.173 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 78' ' ' LYS . . . . . 0.469 ' HE3' ' OG ' ' A' ' 72' ' ' SER . 2.6 pptp? -103.9 156.76 17.58 Favored 'General case' 0 C--N 1.325 -0.476 0 CA-C-N 114.983 -0.608 . . . . 0.0 111.164 -175.071 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 79' ' ' ASP . . . . . . . . . . . . . 5.7 p-10 -129.75 13.89 5.88 Favored 'General case' 0 C--N 1.323 -0.575 0 CA-C-N 115.876 -0.602 . . . . 0.0 109.582 171.887 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 80' ' ' VAL . . . . . . . . . . . . . 14.1 t . . . . . 0 C--O 1.233 0.199 0 CA-C-N 115.547 -0.751 . . . . 0.0 109.462 179.02 . . . . . . . . 0 0 . 1 . 017 nuclear nobuild core ' A' A ' 3' ' ' ARG . . . . . 0.479 ' HG2' HG23 ' A' ' 5' ' ' ILE . 63.8 ttt180 . . . . . 0 N--CA 1.452 -0.339 0 CA-C-O 120.444 0.164 . . . . 0.0 110.621 . . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 15.1 p -72.0 112.23 7.91 Favored 'General case' 0 C--O 1.237 0.415 0 CA-C-O 120.849 0.357 . . . . 0.0 110.46 176.192 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 5' ' ' ILE . . . . . 0.479 HG23 ' HG2' ' A' ' 3' ' ' ARG . 2.3 pp -134.55 170.04 20.38 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.573 0 CA-C-N 116.075 -0.511 . . . . 0.0 111.385 -178.267 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 6' ' ' PHE . . . . . . . . . . . . . 88.2 m-85 -101.8 104.19 14.95 Favored 'General case' 0 C--N 1.32 -0.702 0 N-CA-C 109.283 -0.636 . . . . 0.0 109.283 174.465 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 7' ' ' CYS . . . . . 0.429 ' O ' ' HA ' ' A' ' 11' ' ' GLN . 41.9 t -60.18 145.84 45.57 Favored 'General case' 0 C--N 1.324 -0.52 0 CA-C-N 115.742 -0.663 . . . . 0.0 111.168 -176.366 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 1.0 OUTLIER -72.75 -40.2 66.23 Favored 'General case' 0 C--N 1.324 -0.513 0 CA-C-O 120.881 0.372 . . . . 0.0 111.948 179.024 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 9' ' ' TYR . . . . . . . . . . . . . 89.8 t80 -85.24 -44.08 13.2 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.365 -0.38 . . . . 0.0 111.105 -178.302 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 10' ' ' LEU . . . . . 0.428 ' HB2' ' HB3' ' A' ' 7' ' ' CYS . 52.0 mt -80.19 -35.86 35.79 Favored 'General case' 0 C--N 1.329 -0.322 0 C-N-CA 120.853 -0.339 . . . . 0.0 110.436 -178.947 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 11' ' ' GLN . . . . . 0.429 ' HA ' ' O ' ' A' ' 7' ' ' CYS . 74.5 mt-30 52.8 44.66 30.01 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-O 122.09 0.948 . . . . 0.0 111.576 -177.797 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 14.5 ptt180 -133.12 174.61 10.19 Favored 'General case' 0 C--N 1.321 -0.645 0 CA-C-N 114.155 -1.384 . . . . 0.0 108.171 174.623 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 18.7 t70 -69.11 109.88 4.24 Favored 'General case' 0 C--N 1.322 -0.601 0 N-CA-C 108.553 -0.906 . . . . 0.0 108.553 172.214 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -129.34 179.51 5.74 Favored 'General case' 0 C--N 1.318 -0.794 0 CA-C-O 121.266 0.555 . . . . 0.0 111.679 -173.21 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 6.8 tp10 -101.73 131.94 47.72 Favored 'General case' 0 N--CA 1.445 -0.716 0 CA-C-N 115.19 -0.913 . . . . 0.0 110.014 -179.699 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . -58.92 123.57 33.93 Favored Glycine 0 N--CA 1.444 -0.793 0 N-CA-C 110.36 -1.096 . . . . 0.0 110.36 171.9 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 17' ' ' GLN . . . . . 0.473 ' O ' ' HE3' ' A' ' 36' ' ' LYS . 1.3 tt0 -48.41 -60.59 2.55 Favored 'General case' 0 C--N 1.331 -0.196 0 CA-C-O 120.676 0.274 . . . . 0.0 111.289 -173.231 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 2.0 t70 -170.29 -163.38 0.34 Allowed 'General case' 0 C--N 1.325 -0.499 0 N-CA-C 108.967 -0.753 . . . . 0.0 108.967 178.23 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 94.7 m-85 -118.13 -163.27 0.93 Allowed 'General case' 0 C--N 1.321 -0.646 0 CA-C-O 120.717 0.294 . . . . 0.0 110.895 -178.111 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 15.7 mm100 -76.77 92.61 3.59 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-O 121.085 0.469 . . . . 0.0 110.979 -178.3 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -107.05 -32.28 7.92 Favored 'General case' 0 C--N 1.321 -0.663 0 CA-C-N 115.639 -0.71 . . . . 0.0 112.081 178.97 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 22' ' ' TYR . . . . . 0.468 ' H ' ' CD ' ' A' ' 23' ' ' PRO . 64.4 m-85 -146.52 -48.85 0.02 OUTLIER Pre-proline 0 CA--C 1.538 0.509 0 N-CA-C 113.175 0.806 . . . . 0.0 113.175 -176.295 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 23' ' ' PRO . . . . . 0.468 ' CD ' ' H ' ' A' ' 22' ' ' TYR . 11.1 Cg_exo -72.52 173.95 12.43 Favored 'Trans proline' 0 C--N 1.354 0.841 0 C-N-CA 121.711 1.607 . . . . 0.0 113.099 -178.137 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -89.87 -147.82 17.93 Favored Glycine 0 N--CA 1.45 -0.416 0 CA-C-N 115.739 -0.664 . . . . 0.0 111.765 179.704 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 39.0 tt0 -54.61 -42.28 70.99 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-O 120.609 0.242 . . . . 0.0 111.408 -178.52 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 26' ' ' LEU . . . . . 0.47 HD23 ' HD3' ' A' ' 29' ' ' ARG . 87.1 mt -60.25 -24.32 64.79 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.343 -0.39 . . . . 0.0 111.101 -179.614 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 27' ' ' GLY . . . . . 0.405 ' HA3' ' HB2' ' A' ' 23' ' ' PRO . . . -59.49 -60.38 8.88 Favored Glycine 0 N--CA 1.443 -0.876 0 C-N-CA 120.918 -0.658 . . . . 0.0 111.663 176.98 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 22.6 pttp -74.22 -24.72 59.37 Favored 'General case' 0 C--N 1.326 -0.424 0 O-C-N 122.7 -0.294 . . . . 0.0 110.757 -177.01 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 29' ' ' ARG . . . . . 0.47 ' HD3' HD23 ' A' ' 26' ' ' LEU . 75.0 ttt180 -66.77 -23.24 66.05 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-O 121.157 0.503 . . . . 0.0 110.279 176.908 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 30' ' ' ILE . . . . . . . . . . . . . 95.7 mt -96.92 -47.57 12.68 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.557 0 CA-C-N 116.244 -0.435 . . . . 0.0 111.291 174.175 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 31' ' ' TYR . . . . . . . . . . . . . 12.5 m-30 -65.23 -14.24 60.19 Favored 'General case' 0 N--CA 1.47 0.555 0 N-CA-C 112.541 0.571 . . . . 0.0 112.541 -173.394 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 32' ' ' ASN . . . . . . . . . . . . . 36.1 p-10 -82.9 -21.03 34.34 Favored 'General case' 0 C--N 1.323 -0.58 0 O-C-N 122.351 -0.218 . . . . 0.0 111.24 -178.494 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 33' ' ' GLU . . . . . 0.424 ' O ' ' HA ' ' A' ' 7' ' ' CYS . 46.1 mt-10 -131.82 16.35 4.76 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 120.923 0.392 . . . . 0.0 111.331 -179.314 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 34' ' ' ILE . . . . . 0.439 HD13 ' HA ' ' A' ' 34' ' ' ILE . 9.2 mm -126.29 131.26 71.7 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 CA-C-O 121.175 0.512 . . . . 0.0 110.513 175.92 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 33.9 t -90.38 163.13 14.81 Favored 'General case' 0 C--N 1.323 -0.57 0 CA-C-N 115.549 -0.751 . . . . 0.0 110.142 177.953 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 36' ' ' LYS . . . . . 0.473 ' HE3' ' O ' ' A' ' 17' ' ' GLN . 34.2 mmtp -51.07 -36.19 38.79 Favored 'General case' 0 C--N 1.326 -0.449 0 CA-C-N 115.546 -0.752 . . . . 0.0 110.657 174.946 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 37' ' ' ASP . . . . . 0.625 ' O ' ' HG3' ' A' ' 41' ' ' GLN . 9.4 m-20 -56.46 -62.92 1.39 Allowed 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 115.411 -0.813 . . . . 0.0 110.778 -179.596 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -62.1 -35.89 80.07 Favored 'General case' 0 C--N 1.331 -0.2 0 CA-C-N 115.696 -0.683 . . . . 0.0 111.385 -177.047 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 39' ' ' TRP . . . . . . . . . . . . . 73.8 t-105 -62.63 -43.56 98.49 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.506 177.822 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -67.3 -41.67 84.98 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.064 -0.516 . . . . 0.0 110.788 179.44 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 41' ' ' GLN . . . . . 0.625 ' HG3' ' O ' ' A' ' 37' ' ' ASP . 89.1 mt-30 -57.46 -44.95 85.21 Favored 'General case' 0 C--O 1.235 0.297 0 CA-C-N 115.947 -0.57 . . . . 0.0 110.181 177.671 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 42' ' ' TRP . . . . . 0.464 ' CZ3' ' HE2' ' A' ' 45' ' ' LYS . 22.7 t-105 -68.82 -49.21 60.36 Favored 'General case' 0 N--CA 1.444 -0.735 0 CA-C-N 115.533 -0.758 . . . . 0.0 111.47 -175.815 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 43' ' ' GLN . . . . . . . . . . . . . 58.8 mt-30 -60.54 -35.64 76.5 Favored 'General case' 0 C--N 1.328 -0.327 0 C-N-CA 120.986 -0.286 . . . . 0.0 110.556 179.943 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 44' ' ' HIS . . . . . . . . . . . . . 65.8 t60 -60.94 -50.87 71.67 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-O 120.796 0.331 . . . . 0.0 110.438 177.577 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 45' ' ' LYS . . . . . 0.5 ' HZ2' HD12 ' A' ' 49' ' ' LEU . 0.3 OUTLIER -63.44 -49.42 73.76 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.273 -0.421 . . . . 0.0 110.374 -179.153 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 46' ' ' GLN . . . . . 0.44 ' O ' HG13 ' A' ' 50' ' ' ILE . 42.3 tp60 -64.26 -47.9 77.79 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.392 -0.367 . . . . 0.0 111.382 -173.695 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 62.6 m -59.76 -33.24 71.42 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.715 -179.597 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 48' ' ' MET . . . . . . . . . . . . . 53.7 tpp -59.69 -50.45 73.8 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.28 -0.418 . . . . 0.0 110.632 176.656 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 49' ' ' LEU . . . . . 0.5 HD12 ' HZ2' ' A' ' 45' ' ' LYS . 45.8 mt -65.21 -37.74 88.24 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-O 120.885 0.374 . . . . 0.0 110.413 -177.954 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 50' ' ' ILE . . . . . 0.44 HG13 ' O ' ' A' ' 46' ' ' GLN . 73.2 mt -59.29 -38.16 73.12 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.359 0 CA-C-N 115.8 -0.637 . . . . 0.0 110.934 178.158 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 51' ' ' ASN . . . . . . . . . . . . . 38.4 m-80 -81.23 -34.77 31.96 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-N 116.502 -0.317 . . . . 0.0 111.371 -179.825 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 34.1 mt-10 -66.06 -44.34 84.82 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.731 0.3 . . . . 0.0 111.242 178.486 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 67.0 mttm -86.68 -18.51 31.09 Favored 'General case' 0 C--N 1.326 -0.454 0 CA-C-N 116.378 -0.374 . . . . 0.0 110.961 -179.072 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 97.1 mttt 55.65 63.74 1.97 Allowed 'General case' 0 C--O 1.234 0.274 0 CA-C-N 115.679 -0.692 . . . . 0.0 110.339 -177.672 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 55' ' ' LEU . . . . . 0.54 ' O ' HD12 ' A' ' 55' ' ' LEU . 3.0 pp -112.95 135.25 53.92 Favored 'General case' 0 C--N 1.323 -0.552 0 CA-C-N 115.603 -0.726 . . . . 0.0 111.493 -176.081 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 56' ' ' ASN . . . . . 0.574 HD22 ' N ' ' A' ' 57' ' ' MET . 0.2 OUTLIER -95.88 127.6 42.03 Favored 'General case' 0 C--N 1.323 -0.566 0 CA-C-N 115.336 -0.847 . . . . 0.0 108.847 176.897 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 57' ' ' MET . . . . . 0.574 ' N ' HD22 ' A' ' 56' ' ' ASN . 22.0 mmt -75.9 40.43 0.2 Allowed 'General case' 0 N--CA 1.466 0.36 0 N-CA-C 112.566 0.58 . . . . 0.0 112.566 -177.294 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 58' ' ' MET . . . . . 0.421 ' HG3' ' OD1' ' A' ' 59' ' ' ASN . 16.9 ptp -98.81 -6.38 29.34 Favored 'General case' 0 C--N 1.323 -0.55 0 N-CA-C 109.334 -0.617 . . . . 0.0 109.334 174.347 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 59' ' ' ASN . . . . . 0.421 ' OD1' ' HG3' ' A' ' 58' ' ' MET . 6.1 m-20 -110.9 133.84 53.04 Favored 'General case' 0 C--N 1.324 -0.505 0 CA-C-N 115.012 -0.994 . . . . 0.0 110.302 -177.86 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -62.02 -32.39 72.87 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 115.588 -0.733 . . . . 0.0 112.808 -171.662 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 26.0 mm-40 -58.39 -44.58 88.99 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-O 120.633 0.254 . . . . 0.0 111.365 -177.881 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 62' ' ' HIS . . . . . . . . . . . . . 93.5 m-70 -74.72 -32.36 62.12 Favored 'General case' 0 C--N 1.325 -0.482 0 CA-C-O 120.908 0.385 . . . . 0.0 109.998 -178.364 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 63' ' ' ARG . . . . . . . . . . . . . 29.9 ttm180 -59.93 -52.59 64.76 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 115.517 -0.765 . . . . 0.0 111.108 -178.821 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 15.7 pttm -71.55 -30.19 65.59 Favored 'General case' 0 C--N 1.329 -0.314 0 C-N-CA 120.783 -0.367 . . . . 0.0 110.627 -178.689 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 7.1 tt -62.31 -45.92 91.06 Favored 'General case' 0 C--N 1.333 -0.146 0 N-CA-C 109.551 -0.537 . . . . 0.0 109.551 179.373 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 9.8 tt -61.87 -43.63 98.47 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.061 -0.518 . . . . 0.0 110.204 177.353 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 33.1 tt0 -64.52 -40.36 95.48 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-O 120.686 0.279 . . . . 0.0 110.677 -177.353 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 68' ' ' GLN . . . . . . . . . . . . . 21.0 mt-30 -56.42 -49.58 74.14 Favored 'General case' 0 C--O 1.235 0.305 0 CA-C-N 116.357 -0.383 . . . . 0.0 110.453 176.35 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 69' ' ' GLU . . . . . 0.459 ' HB3' ' CH2' ' A' ' 42' ' ' TRP . 46.6 mt-10 -63.13 -44.24 96.12 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 121.332 0.587 . . . . 0.0 110.636 178.644 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 70' ' ' MET . . . . . . . . . . . . . 22.3 ttt -58.4 -48.44 80.66 Favored 'General case' 0 C--N 1.325 -0.457 0 CA-C-N 115.419 -0.81 . . . . 0.0 111.334 -174.667 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 71' ' ' VAL . . . . . 0.46 ' O ' ' HB3' ' A' ' 75' ' ' PHE . 65.9 t -68.01 -38.06 79.28 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.377 0 CA-C-N 116.077 -0.51 . . . . 0.0 111.306 -178.988 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 13.6 p -75.62 -18.7 59.61 Favored 'General case' 0 C--N 1.324 -0.536 0 CA-C-O 120.82 0.343 . . . . 0.0 111.768 -175.65 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 73' ' ' PHE . . . . . . . . . . . . . 61.7 t80 -99.5 -56.21 2.46 Favored 'General case' 0 C--N 1.325 -0.481 0 CA-C-O 120.748 0.309 . . . . 0.0 111.377 -179.834 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 74' ' ' LEU . . . . . . . . . . . . . 92.9 mt -72.19 -34.85 68.73 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.447 -0.342 . . . . 0.0 111.454 -174.63 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 75' ' ' PHE . . . . . 0.46 ' HB3' ' O ' ' A' ' 71' ' ' VAL . 74.2 t80 -98.12 -43.5 7.0 Favored 'General case' 0 C--N 1.326 -0.426 0 C-N-CA 120.97 -0.292 . . . . 0.0 110.722 -179.478 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 23.4 mt-10 61.89 97.51 0.03 OUTLIER 'General case' 0 N--CA 1.463 0.223 0 O-C-N 123.909 0.755 . . . . 0.0 111.103 -176.126 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . 140.51 52.01 0.05 OUTLIER Glycine 0 N--CA 1.447 -0.613 0 C-N-CA 120.23 -0.986 . . . . 0.0 112.864 178.496 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 78' ' ' LYS . . . . . 0.576 ' HD3' ' H ' ' A' ' 80' ' ' VAL . 0.0 OUTLIER -119.97 164.65 15.77 Favored 'General case' 0 C--N 1.326 -0.455 0 N-CA-C 109.876 -0.416 . . . . 0.0 109.876 174.462 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 79' ' ' ASP . . . . . . . . . . . . . 7.4 p-10 -98.21 6.49 47.4 Favored 'General case' 0 C--N 1.326 -0.415 0 N-CA-C 112.627 0.603 . . . . 0.0 112.627 -171.827 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 80' ' ' VAL . . . . . 0.576 ' H ' ' HD3' ' A' ' 78' ' ' LYS . 61.3 t . . . . . 0 C--N 1.321 -0.664 0 C-N-CA 120.962 -0.295 . . . . 0.0 111.097 -177.649 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 3' ' ' ARG . . . . . . . . . . . . . 6.3 ptm180 . . . . . 0 N--CA 1.451 -0.384 0 CA-C-O 121.316 0.579 . . . . 0.0 111.139 . . . . . . . . . 0 0 . 1 . 018 nuclear nobuild core ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 19.6 m -95.18 121.3 36.68 Favored 'General case' 0 C--N 1.322 -0.615 0 N-CA-C 109.198 -0.667 . . . . 0.0 109.198 174.46 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 5' ' ' ILE . . . . . . . . . . . . . 2.7 pp -121.14 169.65 12.18 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.637 0 CA-C-O 121.105 0.478 . . . . 0.0 111.596 -173.062 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 6' ' ' PHE . . . . . . . . . . . . . 73.2 t80 -93.12 102.26 14.57 Favored 'General case' 0 N--CA 1.446 -0.644 0 N-CA-C 108.74 -0.837 . . . . 0.0 108.74 175.371 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 7' ' ' CYS . . . . . 0.43 ' HA ' ' O ' ' A' ' 33' ' ' GLU . 50.8 t -70.54 131.36 43.87 Favored 'General case' 0 C--N 1.325 -0.472 0 CA-C-N 116.284 -0.417 . . . . 0.0 110.517 -176.321 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 9.3 p -63.36 -46.99 83.97 Favored 'General case' 0 C--N 1.321 -0.64 0 CA-C-N 115.878 -0.601 . . . . 0.0 111.624 -177.822 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 9' ' ' TYR . . . . . . . . . . . . . 87.6 t80 -69.63 -39.57 77.06 Favored 'General case' 0 C--N 1.326 -0.44 0 CA-C-N 116.341 -0.39 . . . . 0.0 111.55 -178.232 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 10' ' ' LEU . . . . . 0.416 ' HB2' ' HB3' ' A' ' 7' ' ' CYS . 99.0 mt -82.45 -27.97 31.57 Favored 'General case' 0 C--N 1.328 -0.338 0 C-N-CA 121.02 -0.272 . . . . 0.0 111.714 -175.808 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 31.9 mm-40 60.88 32.24 20.03 Favored 'General case' 0 N--CA 1.464 0.244 0 CA-C-O 121.234 0.54 . . . . 0.0 110.414 -177.239 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 60.5 mtm180 -151.38 174.64 13.1 Favored 'General case' 0 C--N 1.326 -0.443 0 CA-C-N 115.557 -0.747 . . . . 0.0 110.408 -175.678 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 8.6 m-20 -63.36 130.05 42.85 Favored 'General case' 0 CA--C 1.514 -0.421 0 O-C-N 123.476 0.485 . . . . 0.0 109.962 177.757 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 14' ' ' ALA . . . . . 0.569 ' HB1' ' HB2' ' A' ' 35' ' ' SER . . . -144.44 169.25 18.29 Favored 'General case' 0 C--N 1.315 -0.892 0 CA-C-O 120.858 0.361 . . . . 0.0 111.173 -178.643 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 35.9 tt0 -93.87 121.75 35.65 Favored 'General case' 0 C--N 1.321 -0.637 0 CA-C-N 116.127 -0.488 . . . . 0.0 109.934 -178.151 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . -61.59 143.87 48.73 Favored Glycine 0 N--CA 1.443 -0.838 0 N-CA-C 111.403 -0.679 . . . . 0.0 111.403 178.279 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 17' ' ' GLN . . . . . . . . . . . . . 18.0 mt-30 -76.09 -161.38 0.17 Allowed 'General case' 0 C--N 1.322 -0.594 0 CA-C-O 121.205 0.526 . . . . 0.0 111.423 -176.323 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 18' ' ' ASP . . . . . 0.476 ' HB2' HD11 ' A' ' 21' ' ' LEU . 14.1 m-20 -73.78 -168.62 0.61 Allowed 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 115.805 -0.634 . . . . 0.0 111.251 -179.103 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 29.0 t80 -100.37 -92.16 0.29 Allowed 'General case' 0 C--N 1.325 -0.461 0 CA-C-N 116.396 -0.366 . . . . 0.0 111.191 -173.209 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 20' ' ' GLN . . . . . 0.597 ' HA ' HE21 ' A' ' 20' ' ' GLN . 0.0 OUTLIER -134.06 108.55 8.41 Favored 'General case' 0 C--N 1.324 -0.527 0 N-CA-C 108.92 -0.77 . . . . 0.0 108.92 179.7 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 21' ' ' LEU . . . . . 0.476 HD11 ' HB2' ' A' ' 18' ' ' ASP . 3.2 mp -104.02 -73.32 0.67 Allowed 'General case' 0 C--N 1.32 -0.712 0 CA-C-O 121.081 0.467 . . . . 0.0 110.185 -174.473 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 22' ' ' TYR . . . . . 0.569 ' H ' ' CD ' ' A' ' 23' ' ' PRO . 41.7 p90 -118.54 -31.58 0.07 OUTLIER Pre-proline 0 CA--C 1.544 0.746 0 CA-C-N 115.711 -0.677 . . . . 0.0 112.472 176.571 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 23' ' ' PRO . . . . . 0.569 ' CD ' ' H ' ' A' ' 22' ' ' TYR . 86.6 Cg_endo -88.86 176.14 3.4 Favored 'Trans proline' 0 C--N 1.362 1.262 0 CA-C-N 120.791 1.318 . . . . 0.0 111.885 174.895 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -112.42 -121.39 3.91 Favored Glycine 0 N--CA 1.444 -0.783 0 C-N-CA 120.707 -0.758 . . . . 0.0 112.285 -178.414 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 26.9 mm-40 -63.46 -44.12 95.37 Favored 'General case' 0 C--N 1.326 -0.414 0 N-CA-C 112.046 0.388 . . . . 0.0 112.046 -175.738 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 63.6 tp -64.56 -39.2 93.32 Favored 'General case' 0 C--N 1.325 -0.476 0 CA-C-O 121.163 0.506 . . . . 0.0 109.889 -178.819 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . -64.81 -48.29 73.65 Favored Glycine 0 N--CA 1.448 -0.541 0 C-N-CA 120.598 -0.81 . . . . 0.0 111.758 177.545 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 6.5 ttpm? -61.59 -34.53 75.79 Favored 'General case' 0 C--O 1.234 0.272 0 CA-C-O 120.947 0.404 . . . . 0.0 110.408 179.493 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 29' ' ' ARG . . . . . 0.478 ' O ' ' HG2' ' A' ' 33' ' ' GLU . 72.3 ttt180 -61.14 -37.22 82.07 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 115.782 -0.644 . . . . 0.0 110.647 178.502 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 30' ' ' ILE . . . . . . . . . . . . . 62.2 mt -77.77 -39.83 26.8 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.659 0 C-N-CA 120.802 -0.359 . . . . 0.0 110.469 177.051 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 31' ' ' TYR . . . . . . . . . . . . . 19.4 m-85 -62.69 -23.11 66.97 Favored 'General case' 0 C--N 1.329 -0.284 0 N-CA-C 112.878 0.696 . . . . 0.0 112.878 -175.298 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 32' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER -103.55 0.06 30.41 Favored 'General case' 0 C--N 1.327 -0.404 0 C-N-CA 119.855 -0.738 . . . . 0.0 112.092 -178.581 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 33' ' ' GLU . . . . . 0.478 ' HG2' ' O ' ' A' ' 29' ' ' ARG . 48.0 mm-40 -105.95 -32.61 8.24 Favored 'General case' 0 C--O 1.235 0.306 0 CA-C-O 121.452 0.644 . . . . 0.0 109.965 175.879 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 34' ' ' ILE . . . . . 0.448 HG23 ' HB3' ' A' ' 38' ' ' ALA . 9.7 mm -105.37 142.01 19.45 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.645 0 CA-C-N 115.445 -0.798 . . . . 0.0 111.044 -177.251 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 35' ' ' SER . . . . . 0.569 ' HB2' ' HB1' ' A' ' 14' ' ' ALA . 9.0 t -82.06 153.13 26.28 Favored 'General case' 0 C--N 1.322 -0.614 0 CA-C-N 115.402 -0.817 . . . . 0.0 110.087 177.291 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 99.1 mttt -53.3 -29.93 36.13 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.056 -0.52 . . . . 0.0 110.274 174.787 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 37' ' ' ASP . . . . . 0.636 ' O ' ' HG3' ' A' ' 41' ' ' GLN . 11.1 m-20 -60.96 -60.83 3.17 Favored 'General case' 0 C--N 1.332 -0.188 0 CA-C-N 115.629 -0.714 . . . . 0.0 110.35 177.86 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 38' ' ' ALA . . . . . 0.448 ' HB3' HG23 ' A' ' 34' ' ' ILE . . . -63.31 -36.52 83.97 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 115.741 -0.663 . . . . 0.0 111.154 -177.278 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 39' ' ' TRP . . . . . . . . . . . . . 65.2 t-105 -59.92 -48.55 81.24 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-O 120.902 0.382 . . . . 0.0 110.102 176.683 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -60.54 -48.59 81.11 Favored 'General case' 0 N--CA 1.453 -0.321 0 CA-C-N 115.848 -0.615 . . . . 0.0 110.745 178.578 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 41' ' ' GLN . . . . . 0.636 ' HG3' ' O ' ' A' ' 37' ' ' ASP . 20.7 mt-30 -55.19 -49.09 72.78 Favored 'General case' 0 C--O 1.233 0.206 0 O-C-N 123.349 0.406 . . . . 0.0 110.791 179.845 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 42' ' ' TRP . . . . . . . . . . . . . 51.1 t-105 -66.8 -54.44 22.54 Favored 'General case' 0 N--CA 1.45 -0.432 0 CA-C-N 115.781 -0.645 . . . . 0.0 111.224 -175.272 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 43' ' ' GLN . . . . . 0.525 ' HA ' ' OE1' ' A' ' 43' ' ' GLN . 11.9 mm-40 -68.68 -28.72 67.11 Favored 'General case' 0 C--N 1.325 -0.458 0 N-CA-C 112.018 0.377 . . . . 0.0 112.018 -174.119 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 44' ' ' HIS . . . . . . . . . . . . . 0.3 OUTLIER -62.91 -45.71 91.24 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-O 121.132 0.492 . . . . 0.0 109.852 174.387 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 3.7 tmtp? -70.9 -46.43 62.55 Favored 'General case' 0 C--N 1.325 -0.466 0 CA-C-N 115.411 -0.813 . . . . 0.0 110.403 -178.722 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 46' ' ' GLN . . . . . 0.503 ' O ' HG13 ' A' ' 50' ' ' ILE . 52.5 tp60 -61.16 -51.13 70.36 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 115.899 -0.591 . . . . 0.0 111.216 -177.067 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 30.4 m -59.8 -36.79 77.46 Favored 'General case' 0 C--O 1.236 0.355 0 CA-C-O 120.966 0.412 . . . . 0.0 110.628 179.466 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 48' ' ' MET . . . . . . . . . . . . . 24.2 ttt -59.4 -47.74 84.31 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 115.899 -0.591 . . . . 0.0 110.488 175.915 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 49' ' ' LEU . . . . . 0.466 ' HB3' ' HE2' ' A' ' 53' ' ' LYS . 36.5 mt -66.31 -35.98 81.78 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 115.996 -0.547 . . . . 0.0 111.801 -178.455 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 50' ' ' ILE . . . . . 0.503 HG13 ' O ' ' A' ' 46' ' ' GLN . 77.8 mt -61.92 -39.04 82.16 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.42 0 CA-C-O 120.825 0.345 . . . . 0.0 110.609 178.469 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 51' ' ' ASN . . . . . . . . . . . . . 33.9 m-80 -79.06 -35.86 41.85 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.672 -179.839 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 35.9 tt0 -61.75 -55.14 33.4 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-N 115.839 -0.619 . . . . 0.0 110.961 177.853 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 53' ' ' LYS . . . . . 0.466 ' HE2' ' HB3' ' A' ' 49' ' ' LEU . 51.0 mtmt -90.25 -1.53 57.94 Favored 'General case' 0 C--N 1.325 -0.462 0 CA-C-N 115.751 -0.659 . . . . 0.0 111.976 -173.432 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 47.7 mmtm 56.43 46.07 21.47 Favored 'General case' 0 C--O 1.235 0.329 0 O-C-N 123.413 0.445 . . . . 0.0 110.977 178.018 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 81.3 mt -66.58 117.08 8.25 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-N 115.774 -0.648 . . . . 0.0 110.704 -178.063 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 56' ' ' ASN . . . . . 0.541 ' O ' ' HB2' ' A' ' 62' ' ' HIS . 8.4 p30 -87.58 140.29 29.67 Favored 'General case' 0 C--N 1.326 -0.416 0 N-CA-C 109.981 -0.377 . . . . 0.0 109.981 177.864 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 57' ' ' MET . . . . . . . . . . . . . 24.8 mmt -98.76 14.46 28.67 Favored 'General case' 0 C--N 1.322 -0.623 0 CA-C-O 121.28 0.562 . . . . 0.0 109.967 -179.688 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 58' ' ' MET . . . . . . . . . . . . . 54.4 mtt -78.82 -39.96 34.21 Favored 'General case' 0 C--N 1.323 -0.551 0 CA-C-N 115.283 -0.872 . . . . 0.0 109.339 179.362 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 59' ' ' ASN . . . . . . . . . . . . . 6.1 m-20 -86.62 141.02 29.28 Favored 'General case' 0 C--N 1.323 -0.586 0 CA-C-N 115.37 -0.832 . . . . 0.0 110.072 173.629 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 60' ' ' ALA . . . . . 0.411 ' O ' ' HG2' ' A' ' 64' ' ' LYS . . . -60.33 -25.13 65.56 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.053 -0.521 . . . . 0.0 110.813 178.755 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 40.8 mt-10 -47.42 -62.05 1.62 Allowed 'General case' 0 N--CA 1.464 0.261 0 CA-C-N 115.562 -0.744 . . . . 0.0 111.634 178.738 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 62' ' ' HIS . . . . . 0.541 ' HB2' ' O ' ' A' ' 56' ' ' ASN . 81.5 m-70 -85.33 -18.67 33.11 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-N 116.024 -0.534 . . . . 0.0 111.316 -171.376 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 63' ' ' ARG . . . . . . . . . . . . . 7.8 tpm_? -69.05 -56.96 6.15 Favored 'General case' 0 C--N 1.326 -0.437 0 N-CA-C 109.786 -0.45 . . . . 0.0 109.786 176.426 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 64' ' ' LYS . . . . . 0.411 ' HG2' ' O ' ' A' ' 60' ' ' ALA . 21.5 pttp -68.09 -21.04 64.99 Favored 'General case' 0 C--O 1.222 -0.346 0 N-CA-C 109.77 -0.456 . . . . 0.0 109.77 177.885 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 65' ' ' LEU . . . . . 0.508 ' HB3' ' O ' ' A' ' 62' ' ' HIS . 52.2 tp -55.33 -51.85 65.38 Favored 'General case' 0 C--N 1.332 -0.186 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.295 173.106 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 3.0 tt -59.64 -46.22 89.64 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 115.921 -0.581 . . . . 0.0 109.611 -179.957 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -54.41 -53.64 51.32 Favored 'General case' 0 N--CA 1.466 0.348 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.122 176.517 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 68' ' ' GLN . . . . . 0.402 HE21 ' HB2' ' A' ' 68' ' ' GLN . 14.3 mt-30 -58.15 -49.68 76.17 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.061 -0.518 . . . . 0.0 111.151 -178.659 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 69' ' ' GLU . . . . . 0.411 ' HG3' ' O ' ' A' ' 65' ' ' LEU . 42.5 mt-10 -60.65 -43.23 97.85 Favored 'General case' 0 C--O 1.235 0.311 0 CA-C-O 120.807 0.337 . . . . 0.0 110.594 -179.409 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 70' ' ' MET . . . . . . . . . . . . . 49.6 ttm -60.05 -52.24 66.21 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 115.926 -0.579 . . . . 0.0 111.076 -179.043 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 71' ' ' VAL . . . . . . . . . . . . . 97.3 t -61.33 -34.62 61.77 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.358 0 CA-C-N 116.055 -0.521 . . . . 0.0 110.831 -179.086 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 50.4 m -65.29 -37.81 88.32 Favored 'General case' 0 C--N 1.325 -0.48 0 N-CA-C 111.907 0.336 . . . . 0.0 111.907 -178.861 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 73' ' ' PHE . . . . . . . . . . . . . 62.9 t80 -92.59 -47.37 7.15 Favored 'General case' 0 C--N 1.325 -0.477 0 N-CA-C 111.903 0.334 . . . . 0.0 111.903 -174.058 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 74' ' ' LEU . . . . . 0.413 ' HB3' HG13 ' A' ' 34' ' ' ILE . 83.0 mt -80.59 -47.46 14.12 Favored 'General case' 0 C--N 1.325 -0.465 0 CA-C-O 120.869 0.366 . . . . 0.0 111.941 -173.211 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 75' ' ' PHE . . . . . . . . . . . . . 58.1 t80 -89.1 -42.99 11.38 Favored 'General case' 0 C--N 1.323 -0.545 0 CA-C-O 120.869 0.366 . . . . 0.0 110.32 -177.85 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 32.7 tt0 60.74 90.31 0.07 Allowed 'General case' 0 C--N 1.331 -0.215 0 CA-C-N 114.933 -1.03 . . . . 0.0 110.525 -176.628 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . 157.32 44.47 0.02 OUTLIER Glycine 0 N--CA 1.445 -0.747 0 C-N-CA 120.674 -0.774 . . . . 0.0 112.295 -178.113 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 78' ' ' LYS . . . . . 0.515 ' O ' ' HD2' ' A' ' 78' ' ' LYS . 2.8 pptp? -99.04 139.2 35.04 Favored 'General case' 0 C--N 1.324 -0.509 0 CA-C-O 121.075 0.464 . . . . 0.0 110.585 178.56 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 79' ' ' ASP . . . . . . . . . . . . . 5.3 m-20 -90.39 -32.1 16.59 Favored 'General case' 0 C--N 1.319 -0.757 0 CA-C-N 115.929 -0.578 . . . . 0.0 110.01 176.299 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 80' ' ' VAL . . . . . 0.505 ' O ' ' HD3' ' A' ' 78' ' ' LYS . 46.2 t . . . . . 0 C--N 1.326 -0.447 0 CA-C-N 115.369 -0.832 . . . . 0.0 110.746 -177.574 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 3' ' ' ARG . . . . . . . . . . . . . 39.4 ttm180 . . . . . 0 N--CA 1.453 -0.305 0 N-CA-C 109.973 -0.38 . . . . 0.0 109.973 . . . . . . . . . 0 0 . 1 . 019 nuclear nobuild core ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 17.1 m -86.09 115.51 23.72 Favored 'General case' 0 C--N 1.318 -0.766 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.715 -178.348 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 5' ' ' ILE . . . . . . . . . . . . . 2.7 pp -120.43 169.13 12.05 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 CA-C-N 116.305 -0.407 . . . . 0.0 110.776 179.613 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 6' ' ' PHE . . . . . . . . . . . . . 75.1 t80 -96.56 109.44 22.03 Favored 'General case' 0 C--N 1.322 -0.6 0 N-CA-C 109.319 -0.622 . . . . 0.0 109.319 176.537 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 7' ' ' CYS . . . . . 0.797 ' SG ' ' HB2' ' A' ' 10' ' ' LEU . 9.5 p -87.29 140.16 29.83 Favored 'General case' 0 C--N 1.319 -0.742 0 CA-C-N 116.125 -0.489 . . . . 0.0 111.15 -175.742 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 20.2 m -64.7 -52.55 56.57 Favored 'General case' 0 C--N 1.324 -0.531 0 CA-C-N 115.991 -0.55 . . . . 0.0 111.721 -177.801 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 9' ' ' TYR . . . . . . . . . . . . . 41.6 t80 -67.88 -34.7 77.18 Favored 'General case' 0 C--N 1.325 -0.469 0 N-CA-C 112.474 0.546 . . . . 0.0 112.474 -170.993 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 10' ' ' LEU . . . . . 0.797 ' HB2' ' SG ' ' A' ' 7' ' ' CYS . 92.1 mt -97.09 -23.87 16.03 Favored 'General case' 0 C--N 1.326 -0.443 0 C-N-CA 120.858 -0.337 . . . . 0.0 111.755 -176.744 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 28.2 mm-40 62.15 32.06 17.49 Favored 'General case' 0 N--CA 1.468 0.468 0 CA-C-O 120.892 0.377 . . . . 0.0 111.298 179.33 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 17.7 ptt180 -147.74 -179.07 6.62 Favored 'General case' 0 C--N 1.326 -0.456 0 CA-C-N 116.408 -0.36 . . . . 0.0 110.565 179.637 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 10.1 m-20 -67.72 125.31 25.83 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.278 -0.419 . . . . 0.0 110.637 -178.961 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 14' ' ' ALA . . . . . 0.42 ' HB1' ' HB2' ' A' ' 35' ' ' SER . . . -140.16 178.55 7.2 Favored 'General case' 0 C--N 1.321 -0.65 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.223 177.742 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 14.6 pt-20 -97.8 132.63 43.24 Favored 'General case' 0 C--N 1.322 -0.596 0 CA-C-O 121.314 0.578 . . . . 0.0 110.815 -177.217 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . -67.96 122.69 16.85 Favored Glycine 0 N--CA 1.444 -0.816 0 CA-C-N 115.476 -0.784 . . . . 0.0 112.13 178.996 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 17' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -60.38 101.73 0.14 Allowed 'General case' 0 C--N 1.322 -0.594 0 C-N-CA 122.704 0.402 . . . . 0.0 111.588 178.932 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 22.0 t70 -92.81 75.67 4.89 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.981 0.42 . . . . 0.0 110.182 178.932 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 33.2 m-85 -152.45 123.49 7.54 Favored 'General case' 0 C--N 1.323 -0.547 0 CA-C-N 116.065 -0.516 . . . . 0.0 111.009 -179.34 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 81.5 mm-40 -134.07 117.54 16.74 Favored 'General case' 0 C--N 1.322 -0.624 0 CA-C-N 116.071 -0.513 . . . . 0.0 109.683 173.907 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 21' ' ' LEU . . . . . 0.428 HD12 ' N ' ' A' ' 21' ' ' LEU . 4.5 mp -111.85 -84.61 0.57 Allowed 'General case' 0 C--N 1.325 -0.48 0 CA-C-O 121.22 0.533 . . . . 0.0 110.101 -175.706 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 22' ' ' TYR . . . . . 0.502 ' N ' ' HD2' ' A' ' 23' ' ' PRO . 10.5 p90 -108.2 -30.04 0.17 Allowed Pre-proline 0 CA--C 1.543 0.695 0 N-CA-C 113.199 0.815 . . . . 0.0 113.199 177.59 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 23' ' ' PRO . . . . . 0.502 ' HD2' ' N ' ' A' ' 22' ' ' TYR . 73.9 Cg_endo -75.73 169.09 22.98 Favored 'Trans proline' 0 C--N 1.365 1.401 0 CA-C-N 120.81 1.325 . . . . 0.0 111.77 175.239 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -127.97 -110.98 1.6 Allowed Glycine 0 N--CA 1.447 -0.596 0 C-N-CA 120.504 -0.855 . . . . 0.0 112.467 -178.996 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 9.2 pt-20 -62.18 -35.13 77.89 Favored 'General case' 0 C--N 1.326 -0.433 0 N-CA-C 112.042 0.386 . . . . 0.0 112.042 -175.272 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 56.7 tp -66.28 -40.51 90.13 Favored 'General case' 0 C--N 1.329 -0.318 0 N-CA-C 109.315 -0.624 . . . . 0.0 109.315 177.117 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . -65.17 -47.92 75.72 Favored Glycine 0 N--CA 1.446 -0.665 0 N-CA-C 111.107 -0.797 . . . . 0.0 111.107 176.795 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 99.4 mttt -52.52 -50.07 63.58 Favored 'General case' 0 C--N 1.331 -0.216 0 C-N-CA 122.182 0.193 . . . . 0.0 110.948 177.994 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 46.6 ttt180 -50.59 -52.67 36.98 Favored 'General case' 0 C--N 1.331 -0.202 0 CA-C-N 116.321 -0.4 . . . . 0.0 110.705 179.098 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 30' ' ' ILE . . . . . . . . . . . . . 74.3 mt -60.83 -49.84 82.94 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.075 -0.511 . . . . 0.0 110.846 -179.857 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 31' ' ' TYR . . . . . . . . . . . . . 21.5 m-85 -67.29 -11.09 56.66 Favored 'General case' 0 C--N 1.324 -0.52 0 N-CA-C 112.662 0.615 . . . . 0.0 112.662 -173.759 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 32' ' ' ASN . . . . . . . . . . . . . 11.3 m-80 -87.28 -32.1 19.88 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-O 120.61 0.243 . . . . 0.0 111.36 179.137 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 10.7 pt-20 -112.86 -4.04 14.04 Favored 'General case' 0 C--N 1.324 -0.534 0 CA-C-O 121.044 0.45 . . . . 0.0 111.312 -176.678 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 34' ' ' ILE . . . . . 0.455 HD13 ' HA ' ' A' ' 34' ' ' ILE . 11.1 mm -117.39 125.64 74.13 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.606 0 CA-C-O 121.392 0.615 . . . . 0.0 110.802 177.307 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 35' ' ' SER . . . . . 0.42 ' HB2' ' HB1' ' A' ' 14' ' ' ALA . 42.8 t -83.45 162.44 20.97 Favored 'General case' 0 C--N 1.321 -0.669 0 CA-C-N 115.145 -0.934 . . . . 0.0 110.079 177.421 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 84.0 mttt -57.17 -24.98 58.06 Favored 'General case' 0 C--N 1.322 -0.616 0 CA-C-N 115.173 -0.921 . . . . 0.0 110.283 176.962 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 37' ' ' ASP . . . . . 0.597 ' O ' ' HG3' ' A' ' 41' ' ' GLN . 20.4 m-20 -60.16 -64.21 1.03 Allowed 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 115.709 -0.678 . . . . 0.0 110.358 176.369 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -66.42 -38.43 87.43 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 115.929 -0.578 . . . . 0.0 111.315 -175.986 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 39' ' ' TRP . . . . . . . . . . . . . 77.4 t-105 -59.84 -47.27 86.41 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.073 -0.512 . . . . 0.0 110.528 -179.983 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -67.57 -40.49 84.87 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.101 -0.499 . . . . 0.0 111.299 -179.562 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 41' ' ' GLN . . . . . 0.597 ' HG3' ' O ' ' A' ' 37' ' ' ASP . 24.9 mt-30 -60.5 -43.82 96.64 Favored 'General case' 0 CA--C 1.519 -0.226 0 CA-C-N 116.476 -0.329 . . . . 0.0 110.896 -179.876 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 42' ' ' TRP . . . . . . . . . . . . . 30.0 t-105 -65.43 -52.09 55.66 Favored 'General case' 0 N--CA 1.453 -0.321 0 CA-C-N 116.449 -0.341 . . . . 0.0 110.945 -177.8 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 43' ' ' GLN . . . . . . . . . . . . . 80.4 mt-30 -58.9 -39.56 81.84 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.682 0.277 . . . . 0.0 110.648 -179.385 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 44' ' ' HIS . . . . . . . . . . . . . 15.3 t-80 -64.44 -51.56 62.5 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-N 116.397 -0.365 . . . . 0.0 110.44 178.513 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 16.1 tppt? -58.06 -48.29 80.58 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 115.842 -0.617 . . . . 0.0 111.182 179.694 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 46' ' ' GLN . . . . . 0.565 HE22 HD13 ' A' ' 66' ' ' LEU . 25.5 tt0 -67.24 -45.6 76.24 Favored 'General case' 0 N--CA 1.449 -0.498 0 CA-C-N 116.657 -0.247 . . . . 0.0 111.217 -175.501 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 91.4 m -58.47 -41.98 86.46 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-O 120.934 0.397 . . . . 0.0 110.307 179.008 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 48' ' ' MET . . . . . 0.492 ' O ' ' HG3' ' A' ' 52' ' ' GLU . 28.1 ttt -62.18 -45.13 94.77 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-O 121.133 0.492 . . . . 0.0 110.237 175.621 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 11.1 tp -60.21 -43.23 96.13 Favored 'General case' 0 C--N 1.325 -0.461 0 CA-C-N 115.233 -0.894 . . . . 0.0 110.786 -177.894 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 50' ' ' ILE . . . . . 0.498 HG13 ' O ' ' A' ' 46' ' ' GLN . 88.5 mt -59.58 -43.31 90.7 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 115.796 -0.638 . . . . 0.0 111.006 178.762 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 51' ' ' ASN . . . . . . . . . . . . . 4.1 m-20 -73.18 -33.89 65.69 Favored 'General case' 0 C--N 1.324 -0.505 0 CA-C-N 116.038 -0.528 . . . . 0.0 111.233 -177.325 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 52' ' ' GLU . . . . . 0.492 ' HG3' ' O ' ' A' ' 48' ' ' MET . 49.9 mt-10 -67.24 -53.51 29.47 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-O 120.969 0.414 . . . . 0.0 110.39 176.722 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 66.9 mttm -69.21 -28.07 66.05 Favored 'General case' 0 C--N 1.324 -0.504 0 CA-C-N 115.848 -0.615 . . . . 0.0 111.091 -177.843 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 92.1 mttt 57.5 78.76 0.22 Allowed 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 115.569 -0.741 . . . . 0.0 110.039 -172.87 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 4.0 pp -133.11 157.24 45.81 Favored 'General case' 0 C--N 1.323 -0.547 0 CA-C-N 115.245 -0.888 . . . . 0.0 109.898 -178.794 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 56' ' ' ASN . . . . . . . . . . . . . 18.8 m120 -108.13 136.96 46.93 Favored 'General case' 0 C--N 1.322 -0.613 0 CA-C-O 121.082 0.467 . . . . 0.0 110.966 -178.462 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 57' ' ' MET . . . . . . . . . . . . . 23.3 mmt -85.67 -2.01 57.75 Favored 'General case' 0 C--N 1.326 -0.442 0 CA-C-N 115.749 -0.659 . . . . 0.0 110.356 176.558 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 58' ' ' MET . . . . . . . . . . . . . 65.6 mtt -72.3 -18.3 61.8 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 115.416 -0.811 . . . . 0.0 109.354 173.573 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 59' ' ' ASN . . . . . . . . . . . . . 2.3 m-20 -89.02 137.03 32.69 Favored 'General case' 0 C--N 1.323 -0.56 0 CA-C-N 115.148 -0.933 . . . . 0.0 110.107 -178.809 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 60' ' ' ALA . . . . . 0.535 ' O ' ' HG2' ' A' ' 64' ' ' LYS . . . -63.29 -19.56 64.7 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.344 -0.389 . . . . 0.0 110.637 178.698 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 20.4 mt-10 -56.02 -57.14 13.4 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-O 121.726 0.774 . . . . 0.0 110.005 174.692 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 62' ' ' HIS . . . . . 0.451 ' HA ' ' HB3' ' A' ' 65' ' ' LEU . 95.3 m-70 -91.24 -15.77 28.7 Favored 'General case' 0 C--N 1.323 -0.561 0 CA-C-N 115.085 -0.961 . . . . 0.0 111.333 -169.605 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 63' ' ' ARG . . . . . 0.415 ' O ' ' HB3' ' A' ' 66' ' ' LEU . 21.7 tpp180 -63.44 -49.4 73.85 Favored 'General case' 0 C--O 1.238 0.48 0 CA-C-O 121.085 0.469 . . . . 0.0 110.032 175.441 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 64' ' ' LYS . . . . . 0.535 ' HG2' ' O ' ' A' ' 60' ' ' ALA . 18.9 pttm -73.04 -34.13 66.13 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.124 177.139 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 65' ' ' LEU . . . . . 0.545 ' O ' ' HG3' ' A' ' 69' ' ' GLU . 47.9 tp -55.85 -46.04 78.3 Favored 'General case' 0 N--CA 1.463 0.206 0 N-CA-C 109.862 -0.421 . . . . 0.0 109.862 175.504 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 66' ' ' LEU . . . . . 0.565 HD13 HE22 ' A' ' 46' ' ' GLN . 8.9 tp -48.4 -57.09 6.56 Favored 'General case' 0 C--N 1.332 -0.174 0 CA-C-N 115.79 -0.641 . . . . 0.0 110.861 173.344 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 2.4 tm-20 -53.94 -43.74 70.07 Favored 'General case' 0 C--O 1.235 0.304 0 CA-C-N 116.11 -0.496 . . . . 0.0 110.618 178.333 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 68' ' ' GLN . . . . . 0.491 ' HA ' ' NZ ' ' A' ' 78' ' ' LYS . 58.0 mt-30 -59.18 -62.58 1.78 Allowed 'General case' 0 C--N 1.321 -0.673 0 CA-C-N 115.799 -0.637 . . . . 0.0 111.359 -179.431 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 69' ' ' GLU . . . . . 0.545 ' HG3' ' O ' ' A' ' 65' ' ' LEU . 17.3 mt-10 -63.92 -41.94 97.52 Favored 'General case' 0 C--N 1.325 -0.498 0 CA-C-N 116.461 -0.336 . . . . 0.0 111.365 -174.092 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 70' ' ' MET . . . . . . . . . . . . . 59.0 ttp -58.56 -54.38 47.7 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.085 -0.507 . . . . 0.0 111.439 -176.229 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 71' ' ' VAL . . . . . 0.418 ' HB ' ' NZ ' ' A' ' 78' ' ' LYS . 96.3 t -64.04 -38.24 81.92 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.409 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.124 -178.177 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 72' ' ' SER . . . . . 0.599 ' OG ' ' HE2' ' A' ' 78' ' ' LYS . 68.4 m -73.35 -12.59 60.88 Favored 'General case' 0 C--N 1.327 -0.372 0 N-CA-C 111.939 0.348 . . . . 0.0 111.939 -178.524 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 73' ' ' PHE . . . . . . . . . . . . . 55.7 t80 -98.41 -44.94 6.32 Favored 'General case' 0 C--N 1.325 -0.481 0 C-N-CA 120.662 -0.415 . . . . 0.0 110.819 177.248 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 74' ' ' LEU . . . . . . . . . . . . . 97.0 mt -78.17 -49.6 13.52 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 116.335 -0.393 . . . . 0.0 111.565 -176.684 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 75' ' ' PHE . . . . . . . . . . . . . 20.3 m-30 -95.41 -11.16 28.11 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.884 0.373 . . . . 0.0 110.207 179.556 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 76' ' ' GLU . . . . . 0.557 ' HA ' ' O ' ' A' ' 72' ' ' SER . 50.2 mt-10 70.67 -75.56 0.07 Allowed 'General case' 0 N--CA 1.466 0.358 0 CA-C-N 115.252 -0.886 . . . . 0.0 112.479 177.562 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . -92.74 88.18 1.28 Allowed Glycine 0 N--CA 1.445 -0.72 0 C-N-CA 120.651 -0.785 . . . . 0.0 113.971 -168.147 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 78' ' ' LYS . . . . . 0.599 ' HE2' ' OG ' ' A' ' 72' ' ' SER . 0.0 OUTLIER -121.58 159.6 26.08 Favored 'General case' 0 C--N 1.328 -0.337 0 N-CA-C 109.649 -0.5 . . . . 0.0 109.649 170.672 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 79' ' ' ASP . . . . . . . . . . . . . 43.7 m-20 -89.77 -16.19 30.79 Favored 'General case' 0 C--N 1.326 -0.433 0 N-CA-C 113.636 0.976 . . . . 0.0 113.636 -165.357 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 80' ' ' VAL . . . . . 0.506 ' HB ' ' HE3' ' A' ' 78' ' ' LYS . 67.0 t . . . . . 0 C--N 1.323 -0.552 0 N-CA-C 110.01 -0.367 . . . . 0.0 110.01 177.179 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 3' ' ' ARG . . . . . . . . . . . . . 30.3 tpt180 . . . . . 0 N--CA 1.454 -0.274 0 CA-C-O 121.089 0.471 . . . . 0.0 110.975 . . . . . . . . . 0 0 . 1 . 020 nuclear nobuild core ' A' A ' 4' ' ' THR . . . . . 0.43 ' HA ' ' O ' ' A' ' 14' ' ' ALA . 22.7 p -87.02 103.72 15.63 Favored 'General case' 0 C--N 1.324 -0.539 0 CA-C-N 115.506 -0.77 . . . . 0.0 110.798 177.494 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 5' ' ' ILE . . . . . . . . . . . . . 2.8 pp -103.34 170.02 1.89 Allowed 'Isoleucine or valine' 0 C--N 1.321 -0.64 0 CA-C-N 115.955 -0.566 . . . . 0.0 110.688 -179.69 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 6' ' ' PHE . . . . . . . . . . . . . 83.4 m-85 -100.77 98.32 8.86 Favored 'General case' 0 C--N 1.322 -0.626 0 CA-C-O 120.993 0.425 . . . . 0.0 110.097 178.731 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 7' ' ' CYS . . . . . 0.464 ' HA ' ' O ' ' A' ' 33' ' ' GLU . 53.0 t -65.6 134.17 52.72 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-N 115.727 -0.67 . . . . 0.0 111.08 -176.862 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 8.8 p -58.85 -47.86 83.4 Favored 'General case' 0 C--N 1.325 -0.485 0 CA-C-N 115.949 -0.569 . . . . 0.0 111.965 -179.333 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 9' ' ' TYR . . . . . . . . . . . . . 60.7 t80 -73.89 -37.43 64.69 Favored 'General case' 0 C--N 1.324 -0.528 0 CA-C-N 115.929 -0.578 . . . . 0.0 111.656 -174.863 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 93.7 mt -86.85 -28.4 22.9 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-N 116.569 -0.287 . . . . 0.0 111.756 -175.944 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 29.1 mm-40 59.86 36.25 21.9 Favored 'General case' 0 N--CA 1.466 0.325 0 CA-C-O 120.965 0.412 . . . . 0.0 111.185 -179.575 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 6.9 ptp180 -151.38 176.96 10.76 Favored 'General case' 0 C--N 1.324 -0.51 0 CA-C-N 116.005 -0.543 . . . . 0.0 109.909 -179.192 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 7.6 m-20 -66.02 124.72 23.34 Favored 'General case' 0 C--N 1.327 -0.407 0 O-C-N 123.669 0.606 . . . . 0.0 110.067 177.033 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 14' ' ' ALA . . . . . 0.435 ' HB1' ' HB2' ' A' ' 35' ' ' SER . . . -142.54 179.6 6.87 Favored 'General case' 0 C--N 1.318 -0.763 0 CA-C-N 116.408 -0.36 . . . . 0.0 110.664 -178.731 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 16.4 pt-20 -94.85 144.53 25.57 Favored 'General case' 0 C--N 1.322 -0.594 0 CA-C-N 116.722 -0.217 . . . . 0.0 110.439 -179.063 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . -63.17 105.61 1.08 Allowed Glycine 0 N--CA 1.451 -0.327 0 N-CA-C 110.113 -1.195 . . . . 0.0 110.113 168.665 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 17' ' ' GLN . . . . . 0.634 ' HG3' ' N ' ' A' ' 18' ' ' ASP . 12.0 pt20 -44.48 -57.59 3.48 Favored 'General case' 0 CA--C 1.53 0.209 0 N-CA-C 113.727 1.01 . . . . 0.0 113.727 -163.576 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 18' ' ' ASP . . . . . 0.634 ' N ' ' HG3' ' A' ' 17' ' ' GLN . 0.9 OUTLIER -162.34 -158.4 0.52 Allowed 'General case' 0 C--N 1.323 -0.556 0 C-N-CA 120.645 -0.422 . . . . 0.0 110.496 -171.287 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 54.4 m-85 -112.65 177.95 4.46 Favored 'General case' 0 C--N 1.322 -0.6 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.476 -177.486 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 51.5 mt-30 -86.94 120.06 27.82 Favored 'General case' 0 C--N 1.325 -0.459 0 CA-C-O 120.949 0.404 . . . . 0.0 110.353 178.394 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 4.3 mp -90.31 -55.13 3.72 Favored 'General case' 0 C--N 1.324 -0.517 0 CA-C-N 115.871 -0.604 . . . . 0.0 109.458 179.002 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 22' ' ' TYR . . . . . 0.671 ' H ' ' CD ' ' A' ' 23' ' ' PRO . 24.9 p90 -149.37 -33.74 0.0 OUTLIER Pre-proline 0 CA--C 1.54 0.593 0 N-CA-C 112.975 0.732 . . . . 0.0 112.975 177.074 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 23' ' ' PRO . . . . . 0.671 ' CD ' ' H ' ' A' ' 22' ' ' TYR . 52.8 Cg_exo -57.8 136.96 78.66 Favored 'Trans proline' 0 C--N 1.364 1.35 0 C-N-CA 121.234 1.289 . . . . 0.0 111.802 173.68 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -93.83 -114.33 2.45 Favored Glycine 0 N--CA 1.451 -0.358 0 C-N-CA 121.339 -0.458 . . . . 0.0 113.028 -171.085 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -64.08 -41.97 97.13 Favored 'General case' 0 C--N 1.332 -0.166 0 CA-C-O 120.629 0.252 . . . . 0.0 111.035 -175.321 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 63.0 tp -67.09 -35.21 79.29 Favored 'General case' 0 C--N 1.327 -0.396 0 N-CA-C 109.681 -0.489 . . . . 0.0 109.681 176.176 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 27' ' ' GLY . . . . . 0.519 ' HA3' ' HB2' ' A' ' 23' ' ' PRO . . . -62.41 -53.02 45.05 Favored Glycine 0 N--CA 1.445 -0.743 0 CA-C-N 115.561 -0.745 . . . . 0.0 111.718 176.509 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 48.0 tttm -54.98 -45.27 74.99 Favored 'General case' 0 N--CA 1.452 -0.365 0 O-C-N 123.738 0.316 . . . . 0.0 110.515 178.453 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 33.4 ttt180 -52.47 -39.36 61.08 Favored 'General case' 0 C--O 1.224 -0.249 0 CA-C-N 115.547 -0.752 . . . . 0.0 111.057 179.835 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 30' ' ' ILE . . . . . . . . . . . . . 76.0 mt -78.43 -46.11 25.51 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.626 0 CA-C-N 116.701 -0.227 . . . . 0.0 111.397 179.582 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 31' ' ' TYR . . . . . 0.41 ' O ' ' HG2' ' A' ' 17' ' ' GLN . 22.6 m-85 -60.47 -30.64 69.8 Favored 'General case' 0 CA--C 1.533 0.289 0 N-CA-C 113.049 0.759 . . . . 0.0 113.049 -172.02 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 32' ' ' ASN . . . . . 0.436 ' C ' HD22 ' A' ' 32' ' ' ASN . 0.4 OUTLIER -103.61 0.23 30.5 Favored 'General case' 0 C--N 1.329 -0.316 0 N-CA-C 112.694 0.628 . . . . 0.0 112.694 -177.342 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 33' ' ' GLU . . . . . 0.464 ' O ' ' HA ' ' A' ' 7' ' ' CYS . 52.5 mm-40 -112.34 -15.39 13.15 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-O 121.158 0.504 . . . . 0.0 110.562 176.126 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 34' ' ' ILE . . . . . 0.415 HD13 ' SG ' ' A' ' 7' ' ' CYS . 1.6 mm -113.58 136.15 50.9 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.541 0 CA-C-O 121.396 0.617 . . . . 0.0 111.255 179.66 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 35' ' ' SER . . . . . 0.435 ' HB2' ' HB1' ' A' ' 14' ' ' ALA . 43.4 t -82.43 151.46 26.57 Favored 'General case' 0 N--CA 1.448 -0.572 0 CA-C-N 115.316 -0.856 . . . . 0.0 109.868 176.62 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 36' ' ' LYS . . . . . 0.431 ' HE3' ' O ' ' A' ' 17' ' ' GLN . 4.7 tppp? -57.79 -28.25 63.84 Favored 'General case' 0 C--N 1.324 -0.527 0 CA-C-N 115.961 -0.563 . . . . 0.0 110.226 178.099 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 22.3 t70 -61.05 -53.27 59.23 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-O 120.995 0.426 . . . . 0.0 110.431 176.348 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -68.56 -36.34 78.63 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.076 -0.511 . . . . 0.0 110.645 -179.718 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 39' ' ' TRP . . . . . 0.46 ' O ' ' HG3' ' A' ' 43' ' ' GLN . 76.2 t-105 -61.03 -40.78 94.9 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 115.828 -0.624 . . . . 0.0 110.342 176.829 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -72.43 -45.61 58.83 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 115.967 -0.561 . . . . 0.0 110.983 178.592 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 15.6 mm100 -59.2 -39.71 83.47 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.079 -0.509 . . . . 0.0 111.272 179.445 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 42' ' ' TRP . . . . . . . . . . . . . 38.2 t-105 -63.03 -56.66 15.05 Favored 'General case' 0 C--O 1.22 -0.451 0 C-N-CA 120.828 -0.349 . . . . 0.0 110.916 177.918 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 43' ' ' GLN . . . . . 0.46 ' HG3' ' O ' ' A' ' 39' ' ' TRP . 39.1 mt-30 -61.83 -30.91 71.15 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-O 120.859 0.361 . . . . 0.0 111.093 -175.891 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 44' ' ' HIS . . . . . . . . . . . . . 47.8 t-80 -62.45 -49.38 75.65 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-N 115.797 -0.638 . . . . 0.0 110.025 177.291 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 45' ' ' LYS . . . . . 0.681 ' O ' ' HG ' ' A' ' 49' ' ' LEU . 4.2 tppp? -70.87 -37.75 73.06 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-N 115.809 -0.632 . . . . 0.0 110.299 179.179 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 46' ' ' GLN . . . . . 0.485 ' O ' HG13 ' A' ' 50' ' ' ILE . 16.0 tt0 -55.43 -53.84 51.23 Favored 'General case' 0 C--N 1.326 -0.413 0 CA-C-N 115.646 -0.706 . . . . 0.0 110.332 178.978 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 27.4 m -59.33 -39.9 84.61 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-N 115.801 -0.636 . . . . 0.0 110.426 178.837 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 48' ' ' MET . . . . . . . . . . . . . 13.6 tpt -70.64 -14.27 62.41 Favored 'General case' 0 CA--C 1.532 0.271 0 CA-C-O 121.262 0.553 . . . . 0.0 111.155 -178.402 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 49' ' ' LEU . . . . . 0.681 ' HG ' ' O ' ' A' ' 45' ' ' LYS . 83.2 mt -86.52 -44.16 12.17 Favored 'General case' 0 C--N 1.322 -0.604 0 N-CA-C 109.315 -0.624 . . . . 0.0 109.315 172.611 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 50' ' ' ILE . . . . . 0.485 HG13 ' O ' ' A' ' 46' ' ' GLN . 67.5 mt -64.18 -51.77 64.5 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.516 0 CA-C-N 115.185 -0.916 . . . . 0.0 111.814 -177.584 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 51' ' ' ASN . . . . . . . . . . . . . 36.0 p-10 -73.97 -19.22 60.73 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.855 -171.741 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 11.5 mm-40 -93.14 -42.6 9.3 Favored 'General case' 0 C--N 1.324 -0.513 0 CA-C-O 120.859 0.361 . . . . 0.0 111.043 179.89 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 56.7 mttp -79.53 -19.68 48.97 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.77 -179.78 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 56.2 mtpt 60.11 40.57 18.22 Favored 'General case' 0 N--CA 1.461 0.12 0 CA-C-N 115.73 -0.668 . . . . 0.0 110.912 175.351 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 55' ' ' LEU . . . . . 0.515 ' O ' HD12 ' A' ' 55' ' ' LEU . 2.4 pp -98.63 143.42 29.04 Favored 'General case' 0 C--N 1.323 -0.552 0 CA-C-N 116.002 -0.544 . . . . 0.0 111.138 -177.906 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 56' ' ' ASN . . . . . . . . . . . . . 16.9 p30 -95.32 137.03 34.94 Favored 'General case' 0 C--N 1.323 -0.577 0 CA-C-N 115.98 -0.555 . . . . 0.0 110.174 176.825 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 57' ' ' MET . . . . . 0.487 ' O ' ' HG2' ' A' ' 63' ' ' ARG . 15.1 ptp -109.86 15.11 22.88 Favored 'General case' 0 C--N 1.315 -0.896 0 O-C-N 122.109 -0.369 . . . . 0.0 111.34 -175.299 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 58' ' ' MET . . . . . . . . . . . . . 71.9 mtm -75.09 -19.93 59.73 Favored 'General case' 0 C--N 1.325 -0.475 0 N-CA-C 108.437 -0.949 . . . . 0.0 108.437 168.417 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 59' ' ' ASN . . . . . . . . . . . . . 3.9 m-20 -71.09 136.52 48.28 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 114.608 -1.178 . . . . 0.0 109.281 171.169 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -58.45 -41.23 84.66 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-O 120.77 0.319 . . . . 0.0 111.818 -175.669 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 27.4 mm-40 -62.76 -40.35 96.97 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 116.091 -0.504 . . . . 0.0 111.642 -178.083 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 62' ' ' HIS . . . . . . . . . . . . . 39.0 m170 -79.28 -26.48 42.32 Favored 'General case' 0 C--N 1.324 -0.516 0 CA-C-N 116.475 -0.33 . . . . 0.0 111.13 -177.581 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 63' ' ' ARG . . . . . 0.487 ' HG2' ' O ' ' A' ' 57' ' ' MET . 0.0 OUTLIER -68.17 -52.01 39.31 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-O 120.9 0.381 . . . . 0.0 110.1 178.379 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 63.9 pttt -68.35 -27.69 66.48 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 115.907 -0.588 . . . . 0.0 110.445 -178.795 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 65' ' ' LEU . . . . . 0.425 HD22 ' HA ' ' A' ' 65' ' ' LEU . 1.1 tm? -59.57 -54.66 43.91 Favored 'General case' 0 C--N 1.329 -0.29 0 N-CA-C 109.641 -0.504 . . . . 0.0 109.641 178.069 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 66' ' ' LEU . . . . . 0.421 HD23 ' C ' ' A' ' 66' ' ' LEU . 7.2 tt -56.12 -52.05 65.72 Favored 'General case' 0 C--O 1.226 -0.179 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.104 177.653 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 67' ' ' GLU . . . . . 0.457 ' O ' HG23 ' A' ' 71' ' ' VAL . 42.7 tt0 -51.93 -54.06 33.87 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 115.782 -0.645 . . . . 0.0 111.522 -179.64 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 68' ' ' GLN . . . . . . . . . . . . . 21.1 mt-30 -66.09 -41.67 90.37 Favored 'General case' 0 C--N 1.325 -0.481 0 CA-C-N 116.323 -0.399 . . . . 0.0 111.62 -177.938 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 6.4 tp10 -64.09 -36.4 83.89 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-O 121.246 0.546 . . . . 0.0 110.004 179.504 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 70' ' ' MET . . . . . . . . . . . . . 58.3 ttp -62.27 -47.71 83.13 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 115.487 -0.779 . . . . 0.0 110.511 178.228 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 71' ' ' VAL . . . . . 0.457 HG23 ' O ' ' A' ' 67' ' ' GLU . 55.8 t -60.44 -37.55 75.0 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.415 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.26 178.474 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 72' ' ' SER . . . . . 0.487 ' O ' ' HA ' ' A' ' 76' ' ' GLU . 16.5 m -69.15 -26.65 64.98 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 115.997 -0.547 . . . . 0.0 111.576 -178.234 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 73' ' ' PHE . . . . . . . . . . . . . 43.5 t80 -92.23 -36.21 13.38 Favored 'General case' 0 C--N 1.326 -0.455 0 CA-C-O 120.743 0.306 . . . . 0.0 111.106 -177.894 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 74' ' ' LEU . . . . . . . . . . . . . 10.9 mp -88.74 -40.99 12.83 Favored 'General case' 0 C--N 1.324 -0.506 0 N-CA-C 112.029 0.381 . . . . 0.0 112.029 -176.086 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 75' ' ' PHE . . . . . . . . . . . . . 57.4 t80 -108.64 -24.78 11.2 Favored 'General case' 0 C--N 1.325 -0.469 0 CA-C-N 116.502 -0.317 . . . . 0.0 110.763 -175.713 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 76' ' ' GLU . . . . . 0.487 ' HA ' ' O ' ' A' ' 72' ' ' SER . 48.9 mt-10 72.79 -55.89 0.67 Allowed 'General case' 0 N--CA 1.468 0.465 0 C-N-CA 123.764 0.826 . . . . 0.0 112.049 177.566 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . -82.16 84.64 1.49 Allowed Glycine 0 N--CA 1.45 -0.43 0 C-N-CA 120.951 -0.642 . . . . 0.0 113.008 -176.055 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -111.29 176.08 5.17 Favored 'General case' 0 C--N 1.323 -0.55 0 CA-C-O 120.722 0.296 . . . . 0.0 110.923 177.671 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 79' ' ' ASP . . . . . . . . . . . . . 25.8 m-20 -99.45 -45.13 5.93 Favored 'General case' 0 C--N 1.324 -0.503 0 CA-C-N 116.47 -0.332 . . . . 0.0 111.554 -176.223 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 80' ' ' VAL . . . . . . . . . . . . . 36.1 t . . . . . 0 C--N 1.326 -0.442 0 CA-C-O 121.463 0.649 . . . . 0.0 112.02 -170.729 . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 86.4 mtp . . . . . 0 N--CA 1.479 0.976 0 N-CA-C 110.091 -0.337 . . . . 0.0 110.091 . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 67.6 m -80.2 104.8 11.0 Favored 'General case' 0 C--N 1.322 -0.624 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.67 179.077 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 3' ' ' ARG . . . . . . . . . . . . . 32.8 tpt180 -81.97 121.31 26.36 Favored 'General case' 0 C--N 1.325 -0.475 0 CA-C-N 115.948 -0.569 . . . . 0.0 109.904 178.708 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 5.5 p -84.99 127.02 34.01 Favored 'General case' 0 C--N 1.323 -0.566 0 CA-C-N 115.841 -0.618 . . . . 0.0 111.69 -176.903 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 5' ' ' ILE . . . . . . . . . . . . . 2.7 pp -132.74 177.5 7.04 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.594 0 CA-C-N 115.74 -0.664 . . . . 0.0 109.656 174.051 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 6' ' ' PHE . . . . . . . . . . . . . 84.6 m-85 -111.69 103.72 12.03 Favored 'General case' 0 C--N 1.321 -0.658 0 CA-C-O 121.021 0.439 . . . . 0.0 109.871 177.34 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 7' ' ' CYS . . . . . 0.439 ' HA ' ' O ' ' A' ' 33' ' ' GLU . 49.2 t -77.24 135.05 38.44 Favored 'General case' 0 C--N 1.322 -0.599 0 CA-C-N 115.719 -0.673 . . . . 0.0 110.722 -176.946 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 4.5 p -59.17 -40.31 85.24 Favored 'General case' 0 C--N 1.325 -0.475 0 CA-C-N 116.018 -0.537 . . . . 0.0 111.611 179.376 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 9' ' ' TYR . . . . . . . . . . . . . 56.3 t80 -75.61 -16.23 60.25 Favored 'General case' 0 C--N 1.322 -0.609 0 CA-C-N 115.829 -0.623 . . . . 0.0 111.477 -174.618 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 96.6 mt -111.06 -31.15 7.21 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.679 -0.237 . . . . 0.0 111.62 -176.796 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 31.2 mm-40 64.0 23.16 13.19 Favored 'General case' 0 N--CA 1.467 0.393 0 CA-C-O 121.059 0.457 . . . . 0.0 111.216 -179.028 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 10.8 ptm180 -144.55 179.14 7.47 Favored 'General case' 0 C--N 1.325 -0.49 0 CA-C-N 115.974 -0.557 . . . . 0.0 110.169 178.408 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 6.2 p-10 -59.87 133.44 56.1 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-N 115.761 -0.654 . . . . 0.0 110.18 174.959 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 14' ' ' ALA . . . . . 0.425 ' HB1' ' HB2' ' A' ' 35' ' ' SER . . . -145.38 167.24 23.38 Favored 'General case' 0 C--N 1.319 -0.719 0 CA-C-N 115.591 -0.731 . . . . 0.0 110.369 -179.186 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 38.3 tt0 -90.99 128.55 36.86 Favored 'General case' 0 C--N 1.323 -0.575 0 N-CA-C 109.672 -0.492 . . . . 0.0 109.672 -179.396 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . -60.84 153.4 37.77 Favored Glycine 0 N--CA 1.449 -0.466 0 C-N-CA 121.131 -0.557 . . . . 0.0 112.78 -179.282 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 17' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -66.27 171.3 4.9 Favored 'General case' 0 C--N 1.327 -0.376 0 C-N-CA 122.331 0.252 . . . . 0.0 110.95 179.254 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 28.8 m-20 -71.66 -87.57 0.02 OUTLIER 'General case' 0 N--CA 1.464 0.259 0 N-CA-C 112.358 0.503 . . . . 0.0 112.358 -174.143 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 36.9 p90 -163.19 -174.88 4.02 Favored 'General case' 0 C--O 1.237 0.442 0 CA-C-N 116.346 -0.388 . . . . 0.0 110.507 -175.69 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 72.9 mm-40 -74.36 98.5 3.27 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-O 121.353 0.597 . . . . 0.0 110.463 -179.268 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -104.03 5.15 35.15 Favored 'General case' 0 C--N 1.319 -0.749 0 CA-C-N 115.411 -0.813 . . . . 0.0 110.796 -178.948 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 22' ' ' TYR . . . . . 0.499 ' HB3' ' HD3' ' A' ' 23' ' ' PRO . 64.9 t80 -176.0 -49.57 0.0 OUTLIER Pre-proline 0 CA--C 1.534 0.343 0 CA-C-N 115.697 -0.683 . . . . 0.0 110.866 177.525 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 23' ' ' PRO . . . . . 0.499 ' HD3' ' HB3' ' A' ' 22' ' ' TYR . 4.6 Cg_exo -80.15 -171.45 1.25 Allowed 'Trans proline' 0 C--N 1.355 0.873 0 C-N-CA 122.055 1.837 . . . . 0.0 111.883 178.754 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 24' ' ' GLY . . . . . 0.402 ' O ' ' HG2' ' A' ' 28' ' ' LYS . . . -144.84 -83.93 0.06 OUTLIER Glycine 0 N--CA 1.445 -0.755 0 C-N-CA 120.872 -0.68 . . . . 0.0 111.799 177.859 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 18.1 mm-40 -71.69 -48.62 46.16 Favored 'General case' 0 C--N 1.324 -0.512 0 N-CA-C 110.215 -0.291 . . . . 0.0 110.215 -178.647 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 93.8 mt -62.34 -37.12 84.41 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 115.95 -0.568 . . . . 0.0 110.212 176.187 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . -55.46 -60.28 9.09 Favored Glycine 0 N--CA 1.448 -0.538 0 CA-C-N 115.503 -0.771 . . . . 0.0 112.501 -178.986 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 28' ' ' LYS . . . . . 0.402 ' HG2' ' O ' ' A' ' 24' ' ' GLY . 18.4 pttp -68.18 -30.07 69.09 Favored 'General case' 0 C--N 1.326 -0.454 0 C-N-CA 120.748 -0.381 . . . . 0.0 111.748 -176.157 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 37.0 ttp180 -65.58 -28.22 68.99 Favored 'General case' 0 C--N 1.331 -0.213 0 CA-C-O 120.791 0.329 . . . . 0.0 110.598 178.695 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 30' ' ' ILE . . . . . . . . . . . . . 92.8 mt -91.25 -39.26 11.56 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.528 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.815 178.354 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 31' ' ' TYR . . . . . . . . . . . . . 20.2 m-30 -55.54 -33.97 64.3 Favored 'General case' 0 N--CA 1.467 0.419 0 N-CA-C 112.63 0.604 . . . . 0.0 112.63 -177.49 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 32' ' ' ASN . . . . . . . . . . . . . 9.9 p30 -79.29 -11.77 59.94 Favored 'General case' 0 C--N 1.327 -0.373 0 C-N-CA 120.191 -0.604 . . . . 0.0 111.589 -176.992 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 33' ' ' GLU . . . . . 0.439 ' O ' ' HA ' ' A' ' 7' ' ' CYS . 8.3 mm-40 -112.43 -14.33 13.28 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 121.062 0.458 . . . . 0.0 110.736 -179.391 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 34' ' ' ILE . . . . . 0.423 HD13 ' HA ' ' A' ' 34' ' ' ILE . 24.4 mm -123.32 125.39 71.72 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.508 0 CA-C-O 121.441 0.638 . . . . 0.0 112.141 -172.89 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 35' ' ' SER . . . . . 0.425 ' HB2' ' HB1' ' A' ' 14' ' ' ALA . 44.3 t -80.63 161.78 24.53 Favored 'General case' 0 N--CA 1.449 -0.524 0 CA-C-N 114.989 -1.005 . . . . 0.0 110.138 175.713 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 39.7 mttm -52.54 -33.0 43.47 Favored 'General case' 0 C--N 1.325 -0.5 0 CA-C-N 115.7 -0.682 . . . . 0.0 110.709 174.299 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 12.4 t0 -59.22 -60.3 4.07 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 115.387 -0.824 . . . . 0.0 110.498 179.645 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -64.62 -35.16 80.1 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 115.822 -0.626 . . . . 0.0 111.361 -177.519 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 39' ' ' TRP . . . . . . . . . . . . . 66.0 t-105 -58.63 -45.24 89.68 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 115.782 -0.644 . . . . 0.0 109.977 177.505 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -69.34 -42.81 74.81 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 115.804 -0.634 . . . . 0.0 110.94 178.955 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 30.5 mm-40 -52.78 -54.63 31.35 Favored 'General case' 0 C--O 1.235 0.307 0 CA-C-N 116.133 -0.485 . . . . 0.0 111.447 179.894 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 42' ' ' TRP . . . . . . . . . . . . . 37.1 t-105 -67.55 -46.83 71.6 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 116.27 -0.423 . . . . 0.0 111.98 -174.713 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 43' ' ' GLN . . . . . . . . . . . . . 71.5 mt-30 -61.67 -27.83 68.96 Favored 'General case' 0 C--N 1.326 -0.451 0 C-N-CA 120.792 -0.363 . . . . 0.0 111.443 -176.789 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 44' ' ' HIS . . . . . . . . . . . . . 64.0 m170 -70.46 -46.54 63.6 Favored 'General case' 0 C--N 1.325 -0.459 0 CA-C-O 120.994 0.426 . . . . 0.0 109.875 175.342 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 45' ' ' LYS . . . . . 0.548 ' O ' ' HG ' ' A' ' 49' ' ' LEU . 4.2 tppp? -63.96 -45.98 86.7 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 115.637 -0.71 . . . . 0.0 111.398 -178.567 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 46' ' ' GLN . . . . . 0.484 ' O ' HG13 ' A' ' 50' ' ' ILE . 6.7 tp-100 -65.49 -40.74 93.41 Favored 'General case' 0 C--N 1.327 -0.386 0 C-N-CA 121.104 -0.238 . . . . 0.0 110.974 -178.099 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 88.3 m -56.62 -43.01 79.78 Favored 'General case' 0 C--O 1.235 0.327 0 CA-C-O 120.848 0.356 . . . . 0.0 110.044 176.102 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 48' ' ' MET . . . . . . . . . . . . . 15.2 tpt -61.35 -44.54 97.0 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 115.86 -0.609 . . . . 0.0 110.379 175.264 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 49' ' ' LEU . . . . . 0.548 ' HG ' ' O ' ' A' ' 45' ' ' LYS . 85.4 mt -61.38 -41.7 97.53 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.039 -179.558 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 50' ' ' ILE . . . . . 0.484 HG13 ' O ' ' A' ' 46' ' ' GLN . 77.8 mt -61.75 -33.65 58.63 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-O 120.767 0.318 . . . . 0.0 110.832 179.107 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 51' ' ' ASN . . . . . . . . . . . . . 87.8 m-20 -70.53 -29.52 66.03 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-O 120.901 0.381 . . . . 0.0 110.582 178.389 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 13.1 mm-40 -82.75 -46.12 13.55 Favored 'General case' 0 C--N 1.325 -0.485 0 CA-C-N 116.119 -0.491 . . . . 0.0 111.095 179.263 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 93.5 mttt -74.03 -27.73 61.08 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 115.646 -0.707 . . . . 0.0 111.248 -176.678 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 27.2 mtpp 63.27 30.41 15.74 Favored 'General case' 0 N--CA 1.467 0.412 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.767 179.937 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 4.1 pp -85.46 158.2 20.26 Favored 'General case' 0 C--N 1.325 -0.482 0 CA-C-O 121.073 0.463 . . . . 0.0 111.882 -173.313 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 56' ' ' ASN . . . . . . . . . . . . . 9.7 p30 -116.13 150.11 37.92 Favored 'General case' 0 C--N 1.324 -0.538 0 CA-C-N 115.55 -0.75 . . . . 0.0 109.189 175.205 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 57' ' ' MET . . . . . . . . . . . . . 26.3 mmt -89.11 15.77 8.24 Favored 'General case' 0 C--N 1.323 -0.562 0 N-CA-C 111.979 0.362 . . . . 0.0 111.979 -175.764 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 58' ' ' MET . . . . . . . . . . . . . 55.6 mtm -94.7 -2.92 50.28 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-O 121.04 0.448 . . . . 0.0 110.559 179.589 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 59' ' ' ASN . . . . . . . . . . . . . 14.8 m120 -116.24 132.7 56.59 Favored 'General case' 0 C--N 1.323 -0.577 0 CA-C-N 116.359 -0.382 . . . . 0.0 110.166 -179.095 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -57.43 -33.14 67.59 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.078 -0.51 . . . . 0.0 111.036 -179.153 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 30.2 mt-10 -52.41 -57.35 10.11 Favored 'General case' 0 C--O 1.235 0.34 0 CA-C-O 121.712 0.768 . . . . 0.0 110.547 176.712 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 62' ' ' HIS . . . . . . . . . . . . . 67.4 m-70 -80.55 -24.09 39.51 Favored 'General case' 0 C--N 1.322 -0.629 0 CA-C-N 115.185 -0.916 . . . . 0.0 110.521 -173.73 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 63' ' ' ARG . . . . . . . . . . . . . 20.9 tpt180 -69.92 -42.2 73.62 Favored 'General case' 0 C--N 1.325 -0.457 0 CA-C-N 115.932 -0.577 . . . . 0.0 110.207 178.548 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 12.5 pttp -74.08 -22.59 59.45 Favored 'General case' 0 N--CA 1.455 -0.199 0 C-N-CA 120.659 -0.416 . . . . 0.0 110.044 179.476 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -57.88 -53.92 52.8 Favored 'General case' 0 CA--C 1.519 -0.214 0 CA-C-O 120.893 0.378 . . . . 0.0 110.1 171.749 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 55.0 tp -53.83 -46.61 71.23 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 115.368 -0.833 . . . . 0.0 110.622 178.389 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 31.9 tt0 -60.89 -51.48 69.13 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 115.866 -0.606 . . . . 0.0 111.021 -178.422 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 68' ' ' GLN . . . . . . . . . . . . . 42.9 mt-30 -52.17 -58.71 5.78 Favored 'General case' 0 C--O 1.234 0.259 0 CA-C-O 121.062 0.458 . . . . 0.0 111.316 179.042 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 42.1 mt-10 -63.72 -41.97 98.0 Favored 'General case' 0 C--N 1.325 -0.474 0 CA-C-N 115.433 -0.803 . . . . 0.0 111.372 -174.393 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 70' ' ' MET . . . . . . . . . . . . . 28.1 ttt -62.31 -49.83 74.07 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.483 -0.326 . . . . 0.0 111.188 -177.419 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 71' ' ' VAL . . . . . . . . . . . . . 60.6 t -65.96 -39.95 86.03 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.379 0 CA-C-N 116.469 -0.332 . . . . 0.0 110.718 -179.592 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 72' ' ' SER . . . . . 0.527 ' O ' ' HA ' ' A' ' 76' ' ' GLU . 23.3 t -67.1 -36.12 81.26 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-N 116.633 -0.258 . . . . 0.0 111.545 -177.137 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 73' ' ' PHE . . . . . . . . . . . . . 56.9 t80 -80.84 -46.82 14.73 Favored 'General case' 0 C--N 1.323 -0.575 0 CA-C-O 120.577 0.227 . . . . 0.0 111.193 -177.088 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 74' ' ' LEU . . . . . . . . . . . . . 96.4 mt -83.45 -52.57 6.4 Favored 'General case' 0 C--N 1.33 -0.28 0 N-CA-C 112.061 0.393 . . . . 0.0 112.061 -174.557 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 75' ' ' PHE . . . . . . . . . . . . . 48.1 t80 -87.71 -27.71 22.23 Favored 'General case' 0 C--N 1.323 -0.562 0 CA-C-O 120.661 0.267 . . . . 0.0 110.557 -175.228 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 76' ' ' GLU . . . . . 0.527 ' HA ' ' O ' ' A' ' 72' ' ' SER . 58.7 mt-10 72.85 -56.55 0.66 Allowed 'General case' 0 N--CA 1.468 0.442 0 C-N-CA 123.887 0.875 . . . . 0.0 112.148 176.808 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . -78.59 70.18 2.71 Favored Glycine 0 N--CA 1.452 -0.245 0 C-N-CA 121.396 -0.43 . . . . 0.0 113.057 -175.985 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -92.5 170.23 9.92 Favored 'General case' 0 C--N 1.324 -0.53 0 CA-C-O 120.757 0.313 . . . . 0.0 110.98 176.932 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 79' ' ' ASP . . . . . . . . . . . . . 16.8 t70 -113.87 -5.79 13.23 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-O 121.454 0.645 . . . . 0.0 110.215 179.808 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 80' ' ' VAL . . . . . . . . . . . . . 75.2 t -97.65 134.77 34.53 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 CA-C-N 115.658 -0.701 . . . . 0.0 111.081 -177.939 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 81' ' ' HIS . . . . . . . . . . . . . 3.2 m170 -60.94 128.83 38.4 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 115.482 -0.781 . . . . 0.0 110.737 173.809 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 82' ' ' ILE . . . . . . . . . . . . . 45.3 mm -87.04 86.37 2.57 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.694 0 CA-C-O 121.684 0.754 . . . . 0.0 109.379 173.599 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 39.6 mt-10 -121.88 5.6 9.91 Favored 'General case' 0 C--N 1.32 -0.709 0 CA-C-N 114.952 -1.022 . . . . 0.0 108.839 176.603 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 84' ' ' GLY . . . . . . . . . . . . . . . 74.86 -85.64 0.77 Allowed Glycine 0 N--CA 1.442 -0.956 0 CA-C-N 114.821 -1.081 . . . . 0.0 111.599 -178.276 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 85' ' ' TYR . . . . . . . . . . . . . 90.2 m-85 -103.98 143.56 32.71 Favored 'General case' 0 C--N 1.314 -0.964 0 N-CA-C 109.137 -0.69 . . . . 0.0 109.137 -179.057 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 86' ' ' THR . . . . . . . . . . . . . 31.1 m -106.56 112.65 63.61 Favored Pre-proline 0 C--N 1.316 -0.855 0 CA-C-N 116.532 -0.303 . . . . 0.0 110.689 -175.233 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 87' ' ' PRO . . . . . . . . . . . . . 72.6 Cg_endo -79.19 -5.38 14.37 Favored 'Trans proline' 0 C--O 1.233 0.256 0 C-N-CA 122.716 2.277 . . . . 0.0 112.544 -179.065 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 88' ' ' GLU . . . . . . . . . . . . . 32.4 tt0 -95.53 137.76 34.14 Favored 'General case' 0 C--N 1.326 -0.428 0 CA-C-N 116.303 -0.408 . . . . 0.0 110.039 177.454 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 89' ' ' ASP . . . . . . . . . . . . . 14.4 p-10 -67.76 -45.96 73.43 Favored 'General case' 0 C--N 1.326 -0.438 0 CA-C-N 116.072 -0.513 . . . . 0.0 111.104 -176.502 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 2.1 tmtp? -83.57 117.4 23.11 Favored 'General case' 0 C--N 1.324 -0.53 0 N-CA-C 109.772 -0.455 . . . . 0.0 109.772 -178.776 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 91' ' ' LYS . . . . . . . . . . . . . 48.0 mttp . . . . . 0 C--O 1.246 0.875 0 CA-C-O 118.689 -0.672 . . . . 0.0 109.986 -178.429 . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 1.8 pmm? . . . . . 0 N--CA 1.483 1.211 0 CA-C-O 120.824 0.345 . . . . 0.0 110.671 . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 13.8 m -98.72 156.1 17.01 Favored 'General case' 0 C--N 1.325 -0.463 0 CA-C-O 120.734 0.302 . . . . 0.0 110.475 -177.874 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 3' ' ' ARG . . . . . . . . . . . . . 54.7 ttp180 -122.51 92.37 3.7 Favored 'General case' 0 C--N 1.323 -0.581 0 N-CA-C 109.632 -0.507 . . . . 0.0 109.632 179.51 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 56.7 m -80.7 117.42 21.36 Favored 'General case' 0 C--N 1.323 -0.568 0 CA-C-N 115.924 -0.58 . . . . 0.0 110.865 -177.637 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 5' ' ' ILE . . . . . 0.522 ' O ' ' HA ' ' A' ' 13' ' ' ASP . 2.7 pp -127.52 173.42 12.92 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.71 0 CA-C-N 115.771 -0.65 . . . . 0.0 110.428 -177.973 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 6' ' ' PHE . . . . . . . . . . . . . 99.4 m-85 -98.11 102.85 14.71 Favored 'General case' 0 C--N 1.323 -0.584 0 N-CA-C 109.431 -0.581 . . . . 0.0 109.431 174.915 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 7' ' ' CYS . . . . . 0.414 ' SG ' ' HA ' ' A' ' 34' ' ' ILE . 53.0 t -71.83 138.51 48.35 Favored 'General case' 0 C--N 1.321 -0.638 0 CA-C-N 115.907 -0.588 . . . . 0.0 110.501 -176.754 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 2.4 p -62.47 -41.38 98.74 Favored 'General case' 0 C--N 1.325 -0.487 0 N-CA-C 111.858 0.318 . . . . 0.0 111.858 -178.633 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 9' ' ' TYR . . . . . . . . . . . . . 75.4 t80 -71.19 -27.32 63.42 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-O 120.631 0.253 . . . . 0.0 111.457 -176.181 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 7.3 mp -100.61 -25.66 14.09 Favored 'General case' 0 C--N 1.325 -0.463 0 C-N-CA 121.056 -0.258 . . . . 0.0 111.363 -178.712 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 33.3 mm-40 66.19 9.71 6.53 Favored 'General case' 0 N--CA 1.468 0.453 0 C-N-CA 123.166 0.586 . . . . 0.0 110.978 -176.309 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 56.7 mtt180 -132.07 -176.93 4.23 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 115.969 -0.56 . . . . 0.0 109.871 -177.077 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 13' ' ' ASP . . . . . 0.522 ' HA ' ' O ' ' A' ' 5' ' ' ILE . 9.3 p-10 -78.32 134.57 37.47 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-O 121.592 0.71 . . . . 0.0 111.452 -176.591 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -152.53 179.98 8.1 Favored 'General case' 0 C--N 1.322 -0.615 0 CA-C-N 114.8 -1.091 . . . . 0.0 109.777 179.995 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 15' ' ' GLU . . . . . 0.558 ' O ' ' HA ' ' A' ' 35' ' ' SER . 10.7 tp10 -80.06 129.58 34.6 Favored 'General case' 0 C--N 1.324 -0.512 0 N-CA-C 109.522 -0.548 . . . . 0.0 109.522 179.431 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . -81.28 43.45 2.89 Favored Glycine 0 N--CA 1.452 -0.26 0 C-N-CA 121.258 -0.496 . . . . 0.0 113.794 -174.926 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 17' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER 42.67 65.98 0.84 Allowed 'General case' 0 C--O 1.237 0.415 0 C-N-CA 123.386 0.675 . . . . 0.0 112.331 175.315 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 6.8 p-10 -67.26 119.81 12.76 Favored 'General case' 0 C--N 1.323 -0.555 0 CA-C-O 120.73 0.3 . . . . 0.0 110.605 177.736 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -174.42 -73.7 0.01 OUTLIER 'General case' 0 C--N 1.332 -0.193 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.339 179.484 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 14.5 mm-40 62.11 84.57 0.14 Allowed 'General case' 0 N--CA 1.467 0.403 0 O-C-N 123.581 0.55 . . . . 0.0 110.295 -172.176 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 21' ' ' LEU . . . . . 0.421 ' N ' HD12 ' A' ' 21' ' ' LEU . 3.6 mp -93.69 -74.71 0.52 Allowed 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 115.487 -0.778 . . . . 0.0 110.797 -173.563 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 22' ' ' TYR . . . . . 0.48 ' HB2' ' HD3' ' A' ' 23' ' ' PRO . 27.2 m-85 -113.65 -50.96 0.05 OUTLIER Pre-proline 0 C--N 1.327 -0.399 0 CA-C-N 115.945 -0.57 . . . . 0.0 111.427 -178.329 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 23' ' ' PRO . . . . . 0.48 ' HD3' ' HB2' ' A' ' 22' ' ' TYR . 6.0 Cg_exo -77.63 131.87 11.7 Favored 'Trans proline' 0 C--N 1.359 1.092 0 C-N-CA 121.947 1.765 . . . . 0.0 111.815 -179.107 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 24' ' ' GLY . . . . . 0.418 ' O ' ' HG2' ' A' ' 28' ' ' LYS . . . -91.73 -90.18 1.43 Allowed Glycine 0 N--CA 1.448 -0.539 0 C-N-CA 120.822 -0.704 . . . . 0.0 112.226 -177.733 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 25' ' ' GLU . . . . . 0.43 ' HA ' ' HE2' ' A' ' 28' ' ' LYS . 48.0 mt-10 -60.46 -48.0 83.67 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-O 120.409 0.147 . . . . 0.0 110.994 -178.682 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 64.3 tp -65.49 -35.88 82.18 Favored 'General case' 0 C--N 1.326 -0.445 0 CA-C-O 121.063 0.458 . . . . 0.0 110.2 177.805 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 27' ' ' GLY . . . . . 0.431 ' CA ' ' HB2' ' A' ' 23' ' ' PRO . . . -61.77 -54.54 34.64 Favored Glycine 0 N--CA 1.45 -0.408 0 CA-C-N 115.681 -0.69 . . . . 0.0 111.978 -179.71 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 28' ' ' LYS . . . . . 0.43 ' HE2' ' HA ' ' A' ' 25' ' ' GLU . 57.9 pttt -71.43 -21.94 61.91 Favored 'General case' 0 C--N 1.327 -0.374 0 C-N-CA 120.874 -0.33 . . . . 0.0 110.935 -179.222 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 79.3 ttt180 -63.31 -31.98 73.28 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-O 121.042 0.449 . . . . 0.0 110.192 175.063 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 30' ' ' ILE . . . . . . . . . . . . . 73.5 mt -86.28 -47.11 16.54 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 CA-C-N 116.0 -0.545 . . . . 0.0 110.613 176.656 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 31' ' ' TYR . . . . . . . . . . . . . 21.9 m-85 -68.04 -19.83 64.93 Favored 'General case' 0 N--CA 1.464 0.229 0 N-CA-C 112.542 0.571 . . . . 0.0 112.542 -173.851 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 32' ' ' ASN . . . . . . . . . . . . . 35.8 p30 -69.72 -15.92 63.24 Favored 'General case' 0 C--N 1.327 -0.397 0 O-C-N 122.221 -0.299 . . . . 0.0 111.599 -177.39 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 33' ' ' GLU . . . . . 0.406 ' O ' ' HA ' ' A' ' 7' ' ' CYS . 39.9 mt-10 -137.73 22.91 2.89 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-O 120.836 0.351 . . . . 0.0 110.932 177.12 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 34' ' ' ILE . . . . . 0.414 ' HA ' ' SG ' ' A' ' 7' ' ' CYS . 17.2 mm -130.8 124.1 55.81 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 CA-C-O 121.042 0.448 . . . . 0.0 110.993 178.576 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 35' ' ' SER . . . . . 0.558 ' HA ' ' O ' ' A' ' 15' ' ' GLU . 26.9 p -80.66 161.27 24.74 Favored 'General case' 0 N--CA 1.449 -0.507 0 CA-C-N 115.548 -0.751 . . . . 0.0 110.889 178.271 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 95.9 mttt -62.83 -30.58 71.6 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-N 115.907 -0.588 . . . . 0.0 109.805 176.542 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 13.9 m-20 -63.53 -52.75 59.81 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 115.688 -0.687 . . . . 0.0 110.036 177.451 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -62.95 -44.04 97.14 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 115.897 -0.592 . . . . 0.0 110.842 -179.409 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 39' ' ' TRP . . . . . . . . . . . . . 68.0 t-105 -60.82 -53.44 57.37 Favored 'General case' 0 C--N 1.331 -0.216 0 CA-C-N 116.079 -0.509 . . . . 0.0 110.957 -179.936 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -62.31 -44.76 95.76 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.258 -0.428 . . . . 0.0 111.167 -177.252 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 14.4 mm100 -64.9 -37.88 89.11 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 116.633 -0.258 . . . . 0.0 111.421 -179.066 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 42' ' ' TRP . . . . . 0.455 ' CZ2' ' HB3' ' A' ' 69' ' ' GLU . 24.2 t-105 -65.09 -49.74 68.83 Favored 'General case' 0 C--N 1.33 -0.27 0 C-N-CA 120.668 -0.413 . . . . 0.0 110.713 177.113 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 43' ' ' GLN . . . . . . . . . . . . . 29.3 mm-40 -60.92 -40.11 91.95 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-O 121.064 0.459 . . . . 0.0 110.247 -179.811 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 44' ' ' HIS . . . . . . . . . . . . . 10.1 t60 -63.97 -46.86 82.78 Favored 'General case' 0 C--N 1.324 -0.519 0 CA-C-N 115.701 -0.681 . . . . 0.0 110.367 178.591 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 24.8 tptp -61.13 -44.88 96.65 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 115.686 -0.688 . . . . 0.0 110.473 178.977 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 46' ' ' GLN . . . . . 0.447 ' O ' HG13 ' A' ' 50' ' ' ILE . 25.0 tp60 -60.68 -38.92 86.55 Favored 'General case' 0 C--N 1.325 -0.464 0 CA-C-N 115.798 -0.637 . . . . 0.0 110.494 178.673 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 64.1 m -58.68 -44.12 90.17 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.856 178.52 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 48' ' ' MET . . . . . . . . . . . . . 25.9 ttt -63.06 -44.35 96.07 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 121.002 0.43 . . . . 0.0 110.524 178.785 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 8.8 mp -61.93 -37.15 83.62 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 115.935 -0.575 . . . . 0.0 111.52 -179.058 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 50' ' ' ILE . . . . . 0.447 HG13 ' O ' ' A' ' 46' ' ' GLN . 84.6 mt -61.7 -41.6 91.08 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.346 0 CA-C-N 116.292 -0.413 . . . . 0.0 110.4 176.725 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 51' ' ' ASN . . . . . . . . . . . . . 27.7 m-80 -68.62 -41.04 80.05 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.016 -0.538 . . . . 0.0 110.738 178.959 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 51.4 mm-40 -68.02 -50.1 57.45 Favored 'General case' 0 C--N 1.325 -0.465 0 CA-C-N 115.943 -0.571 . . . . 0.0 112.055 -177.954 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 50.1 mtmt -88.54 0.02 56.76 Favored 'General case' 0 C--N 1.325 -0.459 0 C-N-CA 121.13 -0.228 . . . . 0.0 111.461 -174.408 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 13.8 mptt 58.3 69.34 0.74 Allowed 'General case' 0 C--O 1.234 0.243 0 CA-C-O 121.344 0.592 . . . . 0.0 111.358 178.373 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 55' ' ' LEU . . . . . 0.427 HD22 ' CE1' ' A' ' 62' ' ' HIS . 20.0 mt -110.15 148.18 32.27 Favored 'General case' 0 C--N 1.322 -0.613 0 CA-C-N 115.796 -0.638 . . . . 0.0 109.779 178.491 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 56' ' ' ASN . . . . . . . . . . . . . 59.9 t30 -112.37 119.08 37.05 Favored 'General case' 0 C--N 1.323 -0.58 0 N-CA-C 109.059 -0.719 . . . . 0.0 109.059 171.954 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 57' ' ' MET . . . . . . . . . . . . . 0.7 OUTLIER -84.62 65.23 8.93 Favored 'General case' 0 C--N 1.323 -0.579 0 CA-C-O 121.408 0.623 . . . . 0.0 111.979 -169.127 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 58' ' ' MET . . . . . . . . . . . . . 24.8 ptt? -133.67 -27.44 1.51 Allowed 'General case' 0 C--N 1.323 -0.566 0 CA-C-N 115.386 -0.824 . . . . 0.0 110.119 173.93 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 59' ' ' ASN . . . . . . . . . . . . . 2.1 m-20 -74.81 141.23 44.34 Favored 'General case' 0 C--O 1.236 0.35 0 CA-C-N 116.274 -0.421 . . . . 0.0 110.705 -178.062 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -63.2 -25.56 68.39 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.582 178.764 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 6.3 mm-40 -61.65 -38.4 87.56 Favored 'General case' 0 C--N 1.325 -0.461 0 CA-C-N 115.865 -0.607 . . . . 0.0 110.908 177.815 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 62' ' ' HIS . . . . . 0.427 ' CE1' HD22 ' A' ' 55' ' ' LEU . 95.6 m-70 -84.32 -19.19 34.13 Favored 'General case' 0 C--N 1.324 -0.507 0 C-N-CA 120.494 -0.483 . . . . 0.0 109.881 178.302 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 63' ' ' ARG . . . . . . . . . . . . . 33.5 mmt180 -69.84 -47.46 62.61 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.381 174.892 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -66.63 -35.27 79.77 Favored 'General case' 0 C--O 1.224 -0.271 0 C-N-CA 120.997 -0.281 . . . . 0.0 110.28 177.866 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 1.3 mm? -63.07 -47.57 82.38 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-O 120.902 0.382 . . . . 0.0 110.241 175.536 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 62.2 tp -59.68 -41.19 90.12 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 115.852 -0.613 . . . . 0.0 110.432 176.721 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 67' ' ' GLU . . . . . 0.422 ' O ' HG23 ' A' ' 71' ' ' VAL . 32.4 tt0 -63.99 -52.19 60.74 Favored 'General case' 0 C--N 1.324 -0.538 0 CA-C-N 115.863 -0.608 . . . . 0.0 110.64 -179.571 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 68' ' ' GLN . . . . . 0.47 ' NE2' HG12 ' A' ' 82' ' ' ILE . 55.7 mt-30 -57.51 -50.44 73.06 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.943 178.462 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 69' ' ' GLU . . . . . 0.455 ' HB3' ' CZ2' ' A' ' 42' ' ' TRP . 8.0 mm-40 -62.23 -39.7 93.69 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-N 115.995 -0.548 . . . . 0.0 111.498 -179.643 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 70' ' ' MET . . . . . . . . . . . . . 57.0 ttp -64.25 -47.3 80.14 Favored 'General case' 0 C--N 1.324 -0.536 0 CA-C-O 120.863 0.363 . . . . 0.0 110.845 179.882 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 71' ' ' VAL . . . . . 0.422 HG23 ' O ' ' A' ' 67' ' ' GLU . 47.1 t -73.59 -12.34 15.35 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.442 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.788 -178.907 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 8.0 t -94.14 -50.48 5.27 Favored 'General case' 0 C--N 1.325 -0.459 0 CA-C-O 120.85 0.357 . . . . 0.0 110.97 178.832 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 73' ' ' PHE . . . . . . . . . . . . . 70.9 t80 -70.04 -49.24 53.25 Favored 'General case' 0 C--N 1.323 -0.572 0 CA-C-O 120.953 0.406 . . . . 0.0 111.313 -176.303 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 74' ' ' LEU . . . . . 0.412 ' HB3' ' CD1' ' A' ' 34' ' ' ILE . 77.2 mt -78.31 -55.13 5.48 Favored 'General case' 0 C--N 1.323 -0.548 0 N-CA-C 112.138 0.421 . . . . 0.0 112.138 -173.489 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 75' ' ' PHE . . . . . . . . . . . . . 52.1 t80 -98.33 -40.47 8.3 Favored 'General case' 0 C--N 1.321 -0.638 0 CA-C-O 120.907 0.384 . . . . 0.0 111.023 -174.555 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 6.4 tp10 56.73 67.9 0.93 Allowed 'General case' 0 C--N 1.326 -0.45 0 CA-C-N 115.091 -0.959 . . . . 0.0 110.874 -174.064 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . -146.62 31.36 1.51 Allowed Glycine 0 N--CA 1.445 -0.766 0 CA-C-N 114.906 -1.043 . . . . 0.0 110.829 177.172 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 78' ' ' LYS . . . . . 0.436 ' HD2' ' O ' ' A' ' 78' ' ' LYS . 2.8 pptp? -94.23 144.36 25.58 Favored 'General case' 0 C--N 1.325 -0.497 0 CA-C-N 115.394 -0.403 . . . . 0.0 111.425 -175.112 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 79' ' ' ASP . . . . . . . . . . . . . 22.3 t70 -100.92 -26.09 13.86 Favored 'General case' 0 C--N 1.322 -0.598 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.316 174.969 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 80' ' ' VAL . . . . . . . . . . . . . 16.9 t -65.39 106.17 0.63 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 115.74 -0.664 . . . . 0.0 110.587 -176.817 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 81' ' ' HIS . . . . . . . . . . . . . 36.7 m80 -68.39 131.8 45.94 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 115.771 -0.65 . . . . 0.0 110.796 -176.081 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 82' ' ' ILE . . . . . 0.47 HG12 ' NE2' ' A' ' 68' ' ' GLN . 17.6 mt -97.62 91.57 2.6 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.448 0 CA-C-N 116.424 -0.353 . . . . 0.0 110.823 -177.638 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 33.0 tt0 -118.98 -6.19 10.51 Favored 'General case' 0 C--N 1.322 -0.605 0 CA-C-O 121.348 0.594 . . . . 0.0 109.446 175.315 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 84' ' ' GLY . . . . . . . . . . . . . . . 91.95 -149.07 19.52 Favored Glycine 0 N--CA 1.444 -0.808 0 N-CA-C 111.068 -0.813 . . . . 0.0 111.068 -176.184 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 85' ' ' TYR . . . . . . . . . . . . . 88.1 m-85 61.84 -162.53 0.28 Allowed 'General case' 0 C--N 1.33 -0.254 0 CA-C-O 121.067 0.461 . . . . 0.0 111.008 176.914 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 86' ' ' THR . . . . . . . . . . . . . 9.7 t -129.48 107.74 17.39 Favored Pre-proline 0 C--N 1.32 -0.682 0 CA-C-O 121.257 0.551 . . . . 0.0 109.817 175.409 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 87' ' ' PRO . . . . . . . . . . . . . 63.8 Cg_endo -77.33 130.41 10.97 Favored 'Trans proline' 0 N--CA 1.459 -0.512 0 C-N-CA 122.37 2.046 . . . . 0.0 112.749 -178.257 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 88' ' ' GLU . . . . . . . . . . . . . 1.5 mp0 -67.73 145.45 54.73 Favored 'General case' 0 C--N 1.323 -0.553 0 CA-C-N 115.879 -0.6 . . . . 0.0 109.622 174.586 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 89' ' ' ASP . . . . . . . . . . . . . 10.1 p-10 -69.36 132.33 46.22 Favored 'General case' 0 C--N 1.325 -0.465 0 N-CA-C 109.283 -0.636 . . . . 0.0 109.283 174.984 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 90' ' ' LYS . . . . . 0.496 ' C ' ' HD3' ' A' ' 90' ' ' LYS . 5.8 tmtt? -72.92 109.82 6.76 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-O 121.349 0.595 . . . . 0.0 110.86 -171.887 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 91' ' ' LYS . . . . . . . . . . . . . 94.0 mttt . . . . . 0 C--O 1.247 0.966 0 CA-C-N 115.168 -0.924 . . . . 0.0 109.374 174.444 . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.48 1.062 0 CA-C-O 121.041 0.448 . . . . 0.0 110.246 . . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 61.1 m -111.99 150.32 30.75 Favored 'General case' 0 C--N 1.321 -0.669 0 CA-C-N 115.738 -0.664 . . . . 0.0 110.43 -179.541 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 3' ' ' ARG . . . . . . . . . . . . . 75.5 ttt180 -82.51 100.91 10.37 Favored 'General case' 0 C--N 1.326 -0.429 0 N-CA-C 109.467 -0.568 . . . . 0.0 109.467 177.996 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 11.5 p -76.36 124.07 26.94 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.313 -178.167 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 5' ' ' ILE . . . . . . . . . . . . . 2.7 pp -136.29 178.26 5.25 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.569 0 CA-C-N 115.856 -0.611 . . . . 0.0 110.401 179.828 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 6' ' ' PHE . . . . . . . . . . . . . 95.1 m-85 -112.96 101.87 9.89 Favored 'General case' 0 C--N 1.321 -0.661 0 N-CA-C 109.672 -0.492 . . . . 0.0 109.672 175.83 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 7' ' ' CYS . . . . . 0.546 ' HA ' ' O ' ' A' ' 33' ' ' GLU . 49.8 t -70.49 123.17 21.16 Favored 'General case' 0 C--N 1.323 -0.569 0 N-CA-C 109.902 -0.407 . . . . 0.0 109.902 179.954 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 11.4 p -66.66 -32.11 73.21 Favored 'General case' 0 C--N 1.322 -0.605 0 CA-C-N 116.291 -0.413 . . . . 0.0 111.968 -176.351 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 9' ' ' TYR . . . . . . . . . . . . . 89.2 t80 -65.12 -30.97 71.95 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-O 121.173 0.511 . . . . 0.0 110.61 177.263 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 85.1 mt -98.35 -29.23 13.27 Favored 'General case' 0 C--N 1.324 -0.532 0 CA-C-N 116.165 -0.47 . . . . 0.0 111.248 -176.86 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 84.4 mm-40 62.07 28.43 17.17 Favored 'General case' 0 N--CA 1.465 0.321 0 CA-C-O 121.453 0.644 . . . . 0.0 109.905 -174.923 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 20.7 mtp180 -139.42 174.14 10.82 Favored 'General case' 0 C--N 1.325 -0.498 0 CA-C-N 115.219 -0.9 . . . . 0.0 110.595 -174.273 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 18.2 t70 -68.04 127.66 33.7 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 115.983 -0.553 . . . . 0.0 109.622 175.019 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -143.78 172.42 12.86 Favored 'General case' 0 C--N 1.322 -0.626 0 CA-C-O 121.128 0.489 . . . . 0.0 111.268 -177.315 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 45.3 tt0 -100.25 132.1 45.81 Favored 'General case' 0 C--N 1.321 -0.645 0 CA-C-N 115.589 -0.732 . . . . 0.0 109.677 -179.042 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . -58.42 146.0 41.27 Favored Glycine 0 N--CA 1.448 -0.538 0 C-N-CA 120.975 -0.631 . . . . 0.0 111.618 176.002 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 17' ' ' GLN . . . . . . . . . . . . . 29.0 mt-30 -65.61 -88.36 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.447 0 CA-C-O 121.533 0.682 . . . . 0.0 111.868 -177.053 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 24.8 m-20 -142.3 -167.34 2.46 Favored 'General case' 0 C--N 1.32 -0.69 0 CA-C-N 115.405 -0.816 . . . . 0.0 109.782 -173.223 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 93.5 m-85 -107.96 177.15 4.9 Favored 'General case' 0 C--N 1.316 -0.874 0 CA-C-N 115.863 -0.608 . . . . 0.0 109.541 178.739 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 45.0 mt-30 -78.06 91.61 4.29 Favored 'General case' 0 C--N 1.322 -0.627 0 CA-C-O 120.999 0.428 . . . . 0.0 111.47 -176.765 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -98.0 -10.41 24.47 Favored 'General case' 0 C--N 1.323 -0.549 0 CA-C-N 115.753 -0.658 . . . . 0.0 111.165 178.816 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 22' ' ' TYR . . . . . 0.543 ' HB3' ' HD3' ' A' ' 23' ' ' PRO . 87.8 t80 -162.85 -53.15 0.01 OUTLIER Pre-proline 0 CA--C 1.539 0.528 0 N-CA-C 112.101 0.408 . . . . 0.0 112.101 177.101 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 23' ' ' PRO . . . . . 0.637 ' HB2' ' HA3' ' A' ' 27' ' ' GLY . 27.9 Cg_exo -65.07 148.66 89.51 Favored 'Trans proline' 0 C--N 1.354 0.828 0 C-N-CA 122.151 1.901 . . . . 0.0 112.783 -178.1 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -98.83 -109.42 2.93 Favored Glycine 0 CA--C 1.52 0.349 0 CA-C-N 116.178 -0.464 . . . . 0.0 113.266 -173.627 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 13.9 mm-40 -72.83 -43.14 63.04 Favored 'General case' 0 CA--C 1.517 -0.316 0 CA-C-O 120.837 0.351 . . . . 0.0 110.643 -175.975 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 26' ' ' LEU . . . . . 0.437 ' O ' HG13 ' A' ' 30' ' ' ILE . 51.1 tp -63.36 -34.4 77.64 Favored 'General case' 0 C--N 1.323 -0.574 0 N-CA-C 109.264 -0.643 . . . . 0.0 109.264 175.548 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 27' ' ' GLY . . . . . 0.637 ' HA3' ' HB2' ' A' ' 23' ' ' PRO . . . -59.2 -62.14 6.53 Favored Glycine 0 N--CA 1.446 -0.682 0 CA-C-N 115.195 -0.912 . . . . 0.0 112.79 179.012 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 7.0 ptpp? -57.16 -37.06 71.53 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-O 120.56 0.219 . . . . 0.0 111.038 -177.954 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 77.5 ttt180 -59.21 -45.14 91.89 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.895 0.379 . . . . 0.0 110.895 179.715 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 30' ' ' ILE . . . . . 0.437 HG13 ' O ' ' A' ' 26' ' ' LEU . 73.2 mt -72.23 -39.09 63.97 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.42 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.756 -179.286 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 31' ' ' TYR . . . . . . . . . . . . . 20.9 m-85 -63.84 -21.36 66.41 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.608 -0.269 . . . . 0.0 111.663 -179.992 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 32' ' ' ASN . . . . . . . . . . . . . 91.0 m-20 -84.15 -43.37 15.05 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 116.392 -0.367 . . . . 0.0 111.916 -178.882 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 33' ' ' GLU . . . . . 0.546 ' O ' ' HA ' ' A' ' 7' ' ' CYS . 40.0 mt-10 -112.47 -3.48 14.43 Favored 'General case' 0 C--N 1.326 -0.44 0 N-CA-C 112.544 0.572 . . . . 0.0 112.544 -168.356 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 34' ' ' ILE . . . . . . . . . . . . . 48.3 mm -120.24 136.58 56.82 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.696 0 CA-C-O 120.992 0.425 . . . . 0.0 110.408 178.379 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 9.3 t -99.28 167.98 10.32 Favored 'General case' 0 N--CA 1.444 -0.751 0 CA-C-N 115.887 -0.597 . . . . 0.0 110.283 -179.583 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 89.2 mttt -59.55 -31.27 69.27 Favored 'General case' 0 C--N 1.325 -0.48 0 CA-C-N 115.255 -0.884 . . . . 0.0 111.967 -176.001 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 36.4 t70 -63.12 -52.57 62.03 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.474 -0.33 . . . . 0.0 110.439 -178.74 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -66.87 -37.79 85.08 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.802 179.484 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 39' ' ' TRP . . . . . . . . . . . . . 76.8 t-105 -59.93 -52.12 66.75 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 115.832 -0.622 . . . . 0.0 110.947 179.026 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -69.73 -35.58 75.13 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-N 115.874 -0.603 . . . . 0.0 110.933 -179.356 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 24.3 tt0 -63.45 -54.37 37.54 Favored 'General case' 0 C--N 1.325 -0.459 0 CA-C-N 115.954 -0.566 . . . . 0.0 110.583 179.619 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 42' ' ' TRP . . . . . . . . . . . . . 33.1 t-105 -63.35 -48.28 78.6 Favored 'General case' 0 C--N 1.331 -0.203 0 CA-C-N 116.289 -0.414 . . . . 0.0 111.534 -175.207 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 43' ' ' GLN . . . . . . . . . . . . . 30.1 mt-30 -62.76 -43.99 97.36 Favored 'General case' 0 C--N 1.329 -0.293 0 C-N-CA 120.577 -0.449 . . . . 0.0 111.388 -177.276 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 44' ' ' HIS . . . . . . . . . . . . . 8.7 t-80 -66.91 -40.28 87.63 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-O 120.847 0.355 . . . . 0.0 110.321 -178.05 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 45' ' ' LYS . . . . . 0.463 ' O ' ' HG ' ' A' ' 49' ' ' LEU . 5.2 tmtm? -65.01 -47.7 76.55 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 115.943 -0.571 . . . . 0.0 109.587 177.759 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 46' ' ' GLN . . . . . . . . . . . . . 59.0 tp60 -61.87 -36.98 82.86 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 115.678 -0.692 . . . . 0.0 111.088 -179.993 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 85.4 m -57.55 -43.17 84.21 Favored 'General case' 0 C--N 1.331 -0.205 0 CA-C-O 120.838 0.351 . . . . 0.0 110.243 176.856 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 48' ' ' MET . . . . . . . . . . . . . 43.5 ttp -67.47 -34.88 78.07 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.05 -0.523 . . . . 0.0 110.656 178.128 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 49' ' ' LEU . . . . . 0.463 ' HG ' ' O ' ' A' ' 45' ' ' LYS . 75.2 mt -64.23 -48.81 74.37 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-O 121.168 0.509 . . . . 0.0 110.102 176.695 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 50' ' ' ILE . . . . . . . . . . . . . 86.0 mt -61.79 -36.92 76.58 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.394 0 CA-C-N 115.568 -0.742 . . . . 0.0 110.54 177.849 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 51' ' ' ASN . . . . . . . . . . . . . 3.4 t-20 -62.98 -44.03 97.17 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 115.77 -0.65 . . . . 0.0 110.842 -178.251 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 24.6 mm-40 -76.3 -40.67 50.97 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.047 -0.524 . . . . 0.0 111.707 -179.227 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 47.4 mttp -72.0 -28.46 63.42 Favored 'General case' 0 C--N 1.323 -0.561 0 CA-C-N 116.41 -0.359 . . . . 0.0 110.887 -179.624 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 96.0 mttt 56.25 43.56 26.33 Favored 'General case' 0 N--CA 1.462 0.162 0 CA-C-N 115.734 -0.666 . . . . 0.0 110.167 -179.765 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 4.2 pp -90.06 162.39 15.36 Favored 'General case' 0 N--CA 1.452 -0.348 0 CA-C-N 115.476 -0.784 . . . . 0.0 110.763 -177.964 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 56' ' ' ASN . . . . . . . . . . . . . 38.1 t-20 -121.13 141.4 50.85 Favored 'General case' 0 C--N 1.323 -0.565 0 N-CA-C 109.869 -0.419 . . . . 0.0 109.869 179.363 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 57' ' ' MET . . . . . . . . . . . . . 0.8 OUTLIER -81.01 8.39 8.59 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.242 -0.435 . . . . 0.0 111.087 178.923 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 58' ' ' MET . . . . . . . . . . . . . 55.9 ttm -58.85 -38.38 78.62 Favored 'General case' 0 C--N 1.326 -0.455 0 CA-C-N 116.314 -0.403 . . . . 0.0 110.956 178.352 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 59' ' ' ASN . . . . . 0.422 ' O ' ' HG3' ' A' ' 63' ' ' ARG . 3.4 m-20 -91.35 142.57 27.55 Favored 'General case' 0 C--N 1.324 -0.508 0 CA-C-N 116.367 -0.379 . . . . 0.0 110.886 -179.48 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -67.81 -25.19 65.45 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.991 -178.554 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 14.2 mt-10 -52.95 -51.41 61.54 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 115.446 -0.797 . . . . 0.0 111.035 177.515 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 62' ' ' HIS . . . . . . . . . . . . . 93.7 m-70 -76.85 -23.06 52.7 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.681 -177.166 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 63' ' ' ARG . . . . . 0.422 ' HG3' ' O ' ' A' ' 59' ' ' ASN . 99.2 mtt180 -66.51 -51.56 55.39 Favored 'General case' 0 C--O 1.232 0.179 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.642 178.788 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 64' ' ' LYS . . . . . 0.401 ' CE ' ' HA ' ' A' ' 85' ' ' TYR . 16.2 pttp -68.79 -31.75 70.98 Favored 'General case' 0 C--N 1.332 -0.167 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.363 -178.161 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 58.2 tp -62.43 -45.52 92.7 Favored 'General case' 0 C--N 1.332 -0.183 0 CA-C-N 116.332 -0.395 . . . . 0.0 110.266 178.104 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 66.6 tp -59.25 -46.09 89.43 Favored 'General case' 0 N--CA 1.454 -0.271 0 CA-C-N 115.91 -0.586 . . . . 0.0 110.332 177.801 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 44.0 tt0 -61.31 -50.08 74.43 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 115.971 -0.559 . . . . 0.0 110.816 179.394 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 68' ' ' GLN . . . . . 0.409 ' HB3' HG12 ' A' ' 82' ' ' ILE . 88.0 mt-30 -59.81 -52.45 65.39 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-N 115.883 -0.599 . . . . 0.0 111.803 -179.176 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 19.8 mt-10 -66.23 -29.41 69.65 Favored 'General case' 0 C--N 1.332 -0.16 0 C-N-CA 121.003 -0.279 . . . . 0.0 111.244 -178.895 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 70' ' ' MET . . . . . . . . . . . . . 27.0 ttt -61.27 -51.48 68.75 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-O 120.955 0.407 . . . . 0.0 110.239 177.529 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 71' ' ' VAL . . . . . . . . . . . . . 59.2 t -65.87 -35.55 75.39 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.418 0 CA-C-N 115.897 -0.592 . . . . 0.0 110.581 178.657 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 72' ' ' SER . . . . . 0.492 ' O ' ' HA ' ' A' ' 76' ' ' GLU . 32.3 t -71.68 -17.91 62.21 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-N 116.051 -0.522 . . . . 0.0 111.626 -178.237 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 73' ' ' PHE . . . . . . . . . . . . . 56.1 t80 -99.69 -46.98 5.24 Favored 'General case' 0 C--N 1.324 -0.505 0 C-N-CA 120.804 -0.358 . . . . 0.0 111.235 -179.807 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 74' ' ' LEU . . . . . . . . . . . . . 95.1 mt -72.99 -48.6 35.0 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.407 -0.361 . . . . 0.0 111.307 -177.307 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 75' ' ' PHE . . . . . . . . . . . . . 97.5 m-85 -94.02 -37.44 11.65 Favored 'General case' 0 C--N 1.326 -0.455 0 CA-C-N 116.614 -0.266 . . . . 0.0 110.549 -178.992 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 76' ' ' GLU . . . . . 0.492 ' HA ' ' O ' ' A' ' 72' ' ' SER . 38.8 mt-10 72.28 -48.04 0.67 Allowed 'General case' 0 N--CA 1.47 0.525 0 C-N-CA 123.793 0.837 . . . . 0.0 112.227 177.856 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . -77.55 63.15 3.42 Favored Glycine 0 N--CA 1.45 -0.377 0 C-N-CA 121.398 -0.429 . . . . 0.0 112.849 -177.053 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 78' ' ' LYS . . . . . 0.503 ' HD2' ' O ' ' A' ' 78' ' ' LYS . 0.0 OUTLIER -103.2 158.75 16.1 Favored 'General case' 0 C--N 1.321 -0.64 0 O-C-N 122.692 -0.299 . . . . 0.0 110.256 176.718 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 79' ' ' ASP . . . . . . . . . . . . . 5.7 p-10 -111.45 4.6 19.01 Favored 'General case' 0 C--N 1.323 -0.569 0 N-CA-C 109.346 -0.613 . . . . 0.0 109.346 173.949 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 80' ' ' VAL . . . . . . . . . . . . . 47.9 t -75.05 121.67 27.07 Favored 'Isoleucine or valine' 0 N--CA 1.448 -0.54 0 CA-C-N 115.398 -0.819 . . . . 0.0 109.938 177.819 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 81' ' ' HIS . . . . . . . . . . . . . 27.2 m-70 -80.21 111.4 16.55 Favored 'General case' 0 C--N 1.319 -0.735 0 CA-C-N 116.025 -0.534 . . . . 0.0 110.732 -179.887 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 82' ' ' ILE . . . . . 0.409 HG12 ' HB3' ' A' ' 68' ' ' GLN . 9.7 mt -93.02 84.57 1.93 Allowed 'Isoleucine or valine' 0 C--N 1.32 -0.708 0 N-CA-C 108.838 -0.801 . . . . 0.0 108.838 176.001 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 41.3 mt-10 -140.72 -52.43 0.48 Allowed 'General case' 0 C--N 1.321 -0.652 0 CA-C-N 115.589 -0.732 . . . . 0.0 109.879 -174.996 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 84' ' ' GLY . . . . . . . . . . . . . . . -97.59 137.2 13.17 Favored Glycine 0 N--CA 1.441 -1.02 0 C-N-CA 120.564 -0.827 . . . . 0.0 112.453 -178.679 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 85' ' ' TYR . . . . . 0.401 ' HA ' ' CE ' ' A' ' 64' ' ' LYS . 46.3 p90 -96.87 -4.7 39.73 Favored 'General case' 0 C--N 1.322 -0.595 0 CA-C-O 121.158 0.504 . . . . 0.0 109.737 174.439 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 86' ' ' THR . . . . . 0.433 ' HA ' ' HD3' ' A' ' 87' ' ' PRO . 89.9 m -79.64 119.88 78.3 Favored Pre-proline 0 C--N 1.327 -0.398 0 CA-C-N 115.466 -0.788 . . . . 0.0 110.13 176.067 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 87' ' ' PRO . . . . . 0.433 ' HD3' ' HA ' ' A' ' 86' ' ' THR . 13.3 Cg_exo -69.29 99.27 0.69 Allowed 'Trans proline' 0 C--O 1.237 0.454 0 C-N-CA 122.646 2.231 . . . . 0.0 112.529 -179.528 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 88' ' ' GLU . . . . . . . . . . . . . 10.4 tp10 -90.23 81.9 6.06 Favored 'General case' 0 C--N 1.323 -0.584 0 N-CA-C 108.814 -0.81 . . . . 0.0 108.814 174.212 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 89' ' ' ASP . . . . . . . . . . . . . 3.0 t70 -103.56 149.96 24.39 Favored 'General case' 0 C--N 1.322 -0.618 0 CA-C-N 115.922 -0.581 . . . . 0.0 110.19 -174.165 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 90' ' ' LYS . . . . . 0.498 ' HD2' ' N ' ' A' ' 90' ' ' LYS . 10.8 mptt -110.44 -63.36 1.4 Allowed 'General case' 0 C--N 1.325 -0.485 0 CA-C-O 121.09 0.472 . . . . 0.0 110.994 -173.721 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 91' ' ' LYS . . . . . . . . . . . . . 50.7 mtmt . . . . . 0 C--O 1.25 1.116 0 CA-C-O 118.495 -0.764 . . . . 0.0 110.166 -177.448 . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 95.3 mmm . . . . . 0 N--CA 1.48 1.033 0 CA-C-O 120.797 0.332 . . . . 0.0 110.578 . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 14.5 m -79.16 132.65 36.61 Favored 'General case' 0 N--CA 1.449 -0.477 0 N-CA-C 110.128 -0.323 . . . . 0.0 110.128 179.671 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 3' ' ' ARG . . . . . . . . . . . . . 8.5 tpm_? -81.94 92.16 6.7 Favored 'General case' 0 C--N 1.324 -0.534 0 N-CA-C 109.169 -0.678 . . . . 0.0 109.169 178.378 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 49.9 p -105.81 151.1 24.92 Favored 'General case' 0 C--N 1.321 -0.632 0 CA-C-N 115.783 -0.644 . . . . 0.0 110.944 -178.71 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 5' ' ' ILE . . . . . 0.435 HG13 ' CA ' ' A' ' 16' ' ' GLY . 2.5 pp -138.54 172.87 13.21 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.543 0 CA-C-N 115.715 -0.675 . . . . 0.0 110.288 -179.782 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 6' ' ' PHE . . . . . . . . . . . . . 96.2 m-85 -91.52 98.73 11.85 Favored 'General case' 0 C--N 1.322 -0.587 0 CA-C-O 121.124 0.488 . . . . 0.0 109.714 175.735 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 53.8 t -71.57 137.46 48.05 Favored 'General case' 0 C--N 1.324 -0.511 0 CA-C-N 115.678 -0.692 . . . . 0.0 110.437 -177.509 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 1.8 p -64.63 -46.24 83.42 Favored 'General case' 0 C--N 1.323 -0.547 0 CA-C-N 116.338 -0.392 . . . . 0.0 111.329 179.96 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 9' ' ' TYR . . . . . . . . . . . . . 74.1 t80 -70.53 -31.57 68.7 Favored 'General case' 0 C--N 1.325 -0.467 0 CA-C-N 115.781 -0.645 . . . . 0.0 111.754 -176.158 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 85.4 mt -96.87 -23.34 16.4 Favored 'General case' 0 C--N 1.326 -0.419 0 C-N-CA 120.942 -0.303 . . . . 0.0 111.475 -176.656 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 29.4 mm-40 62.52 21.24 12.5 Favored 'General case' 0 N--CA 1.47 0.567 0 C-N-CA 122.865 0.466 . . . . 0.0 111.383 -179.467 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 94.2 mtt180 -135.57 169.69 17.13 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 116.06 -0.518 . . . . 0.0 111.008 -177.051 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 13' ' ' ASP . . . . . 0.41 ' HA ' ' O ' ' A' ' 5' ' ' ILE . 23.3 t70 -80.74 106.46 12.76 Favored 'General case' 0 C--N 1.323 -0.544 0 CA-C-N 115.364 -0.834 . . . . 0.0 109.645 174.961 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -134.63 179.35 6.35 Favored 'General case' 0 C--N 1.323 -0.553 0 CA-C-N 115.805 -0.634 . . . . 0.0 110.373 -175.611 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 15' ' ' GLU . . . . . 0.566 ' O ' ' HA ' ' A' ' 35' ' ' SER . 8.0 mm-40 -52.37 128.02 24.12 Favored 'General case' 0 C--N 1.331 -0.212 0 O-C-N 123.226 0.329 . . . . 0.0 111.06 179.729 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 16' ' ' GLY . . . . . 0.435 ' CA ' HG13 ' A' ' 5' ' ' ILE . . . -93.17 46.67 2.42 Favored Glycine 0 N--CA 1.443 -0.898 0 C-N-CA 120.854 -0.689 . . . . 0.0 111.971 -179.885 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 17' ' ' GLN . . . . . 0.544 HE21 ' CA ' ' A' ' 17' ' ' GLN . 0.0 OUTLIER 57.87 -152.75 0.39 Allowed 'General case' 0 N--CA 1.454 -0.273 0 O-C-N 124.037 0.493 . . . . 0.0 111.096 -179.822 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 18' ' ' ASP . . . . . 0.411 ' H ' ' HB3' ' A' ' 17' ' ' GLN . 4.8 m-20 -113.1 -167.9 1.25 Allowed 'General case' 0 C--N 1.323 -0.55 0 N-CA-C 109.504 -0.554 . . . . 0.0 109.504 178.563 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 19' ' ' PHE . . . . . 0.4 ' O ' ' HG ' ' A' ' 21' ' ' LEU . 96.2 m-85 -94.07 -176.14 3.91 Favored 'General case' 0 C--N 1.322 -0.624 0 CA-C-O 120.588 0.233 . . . . 0.0 110.682 -179.19 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 20' ' ' GLN . . . . . 0.535 HE22 ' HB3' ' A' ' 28' ' ' LYS . 8.3 mp0 -61.41 96.34 0.06 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 121.152 0.501 . . . . 0.0 110.788 177.834 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 21' ' ' LEU . . . . . 0.4 ' HG ' ' O ' ' A' ' 19' ' ' PHE . 0.8 OUTLIER -111.27 -3.22 15.42 Favored 'General case' 0 C--N 1.321 -0.642 0 CA-C-N 115.596 -0.729 . . . . 0.0 110.8 177.732 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 22' ' ' TYR . . . . . 0.543 ' HB3' ' HD3' ' A' ' 23' ' ' PRO . 91.9 t80 -174.04 -53.7 0.0 OUTLIER Pre-proline 0 CA--C 1.538 0.497 0 CA-C-N 115.611 -0.722 . . . . 0.0 110.802 179.408 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 23' ' ' PRO . . . . . 0.543 ' HD3' ' HB3' ' A' ' 22' ' ' TYR . 94.7 Cg_endo -86.0 145.64 8.77 Favored 'Trans proline' 0 C--N 1.354 0.834 0 C-N-CA 121.429 1.419 . . . . 0.0 112.094 178.539 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -103.44 -98.29 2.47 Favored Glycine 0 N--CA 1.446 -0.693 0 C-N-CA 120.95 -0.643 . . . . 0.0 112.498 -177.144 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 11.8 pt-20 -70.81 -39.32 73.13 Favored 'General case' 0 C--N 1.328 -0.359 0 N-CA-C 111.72 0.267 . . . . 0.0 111.72 -174.721 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 58.3 tp -69.6 -39.1 77.44 Favored 'General case' 0 C--N 1.326 -0.437 0 N-CA-C 109.361 -0.607 . . . . 0.0 109.361 178.236 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . -59.26 -54.3 39.04 Favored Glycine 0 N--CA 1.444 -0.771 0 CA-C-N 115.25 -0.886 . . . . 0.0 112.157 178.443 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 28' ' ' LYS . . . . . 0.535 ' HB3' HE22 ' A' ' 20' ' ' GLN . 18.3 ptpt -63.32 -34.35 77.5 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.748 0.274 . . . . 0.0 111.367 -176.532 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 79.8 ttt180 -61.29 -39.14 89.33 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.832 0.349 . . . . 0.0 110.392 -179.925 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 30' ' ' ILE . . . . . . . . . . . . . 57.9 mt -83.3 -45.5 18.76 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.522 0 CA-C-N 116.369 -0.378 . . . . 0.0 111.334 -179.226 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 31' ' ' TYR . . . . . . . . . . . . . 5.1 m-30 -56.83 -35.49 68.88 Favored 'General case' 0 N--CA 1.467 0.397 0 N-CA-C 112.525 0.565 . . . . 0.0 112.525 -175.5 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 32' ' ' ASN . . . . . . . . . . . . . 23.4 m-80 -71.89 -3.7 23.94 Favored 'General case' 0 C--N 1.329 -0.301 0 N-CA-C 112.181 0.437 . . . . 0.0 112.181 -176.755 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 38.7 mt-10 -139.45 11.3 2.53 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-O 120.662 0.268 . . . . 0.0 110.891 179.075 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 34' ' ' ILE . . . . . 0.417 HD11 ' O ' ' A' ' 74' ' ' LEU . 13.5 mm -135.61 124.06 38.53 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.418 0 CA-C-O 121.203 0.525 . . . . 0.0 111.087 -178.556 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 35' ' ' SER . . . . . 0.566 ' HA ' ' O ' ' A' ' 15' ' ' GLU . 13.7 m -79.63 163.98 24.16 Favored 'General case' 0 C--N 1.322 -0.607 0 CA-C-N 115.592 -0.731 . . . . 0.0 110.803 178.113 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 36' ' ' LYS . . . . . 0.409 ' HG2' ' HA ' ' A' ' 17' ' ' GLN . 87.9 mttt -59.95 -34.2 72.94 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.002 -0.545 . . . . 0.0 110.812 -177.066 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 35.3 m-20 -64.67 -47.09 79.71 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 115.947 -0.57 . . . . 0.0 110.745 -178.676 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -67.38 -39.72 85.66 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.046 -0.525 . . . . 0.0 110.806 -178.165 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 39' ' ' TRP . . . . . . . . . . . . . 59.4 t-105 -64.0 -50.59 67.93 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.062 -0.517 . . . . 0.0 110.654 178.892 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -64.02 -37.72 88.47 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 115.994 -0.548 . . . . 0.0 111.027 -178.011 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 24.7 tm0? -65.8 -49.75 67.15 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 115.899 -0.592 . . . . 0.0 110.873 -179.297 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 42' ' ' TRP . . . . . 0.472 ' NE1' ' HA ' ' A' ' 70' ' ' MET . 70.1 t-105 -67.48 -37.54 83.03 Favored 'General case' 0 C--N 1.329 -0.297 0 C-N-CA 120.65 -0.42 . . . . 0.0 111.123 -176.134 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 43' ' ' GLN . . . . . . . . . . . . . 51.8 mt-30 -64.32 -39.27 93.57 Favored 'General case' 0 C--N 1.328 -0.34 0 C-N-CA 120.567 -0.453 . . . . 0.0 110.605 176.381 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 44' ' ' HIS . . . . . . . . . . . . . 46.8 t-80 -63.08 -43.85 97.39 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 121.247 0.546 . . . . 0.0 109.539 177.181 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 17.1 tppt? -59.02 -54.72 43.89 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-N 115.318 -0.856 . . . . 0.0 110.809 177.009 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 46' ' ' GLN . . . . . 0.511 ' O ' HG13 ' A' ' 50' ' ' ILE . 54.1 tp60 -59.4 -39.77 84.47 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.009 -0.542 . . . . 0.0 111.143 -176.317 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 70.3 m -57.75 -42.42 83.9 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-O 120.845 0.355 . . . . 0.0 110.479 178.465 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 48' ' ' MET . . . . . . . . . . . . . 17.5 tmm? -63.55 -44.22 94.77 Favored 'General case' 0 C--N 1.332 -0.194 0 N-CA-C 109.877 -0.416 . . . . 0.0 109.877 177.37 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 9.9 mp -57.95 -43.14 86.23 Favored 'General case' 0 C--N 1.331 -0.239 0 CA-C-N 116.047 -0.524 . . . . 0.0 111.038 178.854 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 50' ' ' ILE . . . . . 0.511 HG13 ' O ' ' A' ' 46' ' ' GLN . 76.5 mt -59.12 -42.82 87.8 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.407 -0.36 . . . . 0.0 111.528 -179.096 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 51' ' ' ASN . . . . . . . . . . . . . 45.9 m-80 -73.17 -35.59 66.45 Favored 'General case' 0 N--CA 1.466 0.369 0 CA-C-O 120.824 0.345 . . . . 0.0 111.462 -178.376 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 7.1 mm-40 -77.78 -38.81 45.91 Favored 'General case' 0 C--N 1.321 -0.665 0 CA-C-O 120.946 0.403 . . . . 0.0 111.517 -177.858 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 67.6 mttm -80.07 -17.61 52.23 Favored 'General case' 0 C--N 1.321 -0.669 0 CA-C-N 116.266 -0.425 . . . . 0.0 110.633 178.702 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 96.5 mttt 57.65 59.93 3.03 Favored 'General case' 0 C--O 1.236 0.365 0 CA-C-N 115.627 -0.715 . . . . 0.0 110.769 -179.684 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 4.3 pp -115.15 139.03 50.25 Favored 'General case' 0 C--N 1.323 -0.574 0 CA-C-N 115.887 -0.597 . . . . 0.0 110.765 -178.98 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 56' ' ' ASN . . . . . . . . . . . . . 12.0 t30 -116.44 147.06 42.06 Favored 'General case' 0 C--N 1.321 -0.656 0 N-CA-C 109.421 -0.585 . . . . 0.0 109.421 176.757 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 57' ' ' MET . . . . . . . . . . . . . 24.3 mmt -77.66 73.28 4.23 Favored 'General case' 0 C--N 1.326 -0.455 0 CA-C-O 121.533 0.683 . . . . 0.0 110.951 -177.839 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 58' ' ' MET . . . . . . . . . . . . . 24.4 ptt? -130.03 -21.92 2.93 Favored 'General case' 0 C--N 1.321 -0.632 0 CA-C-N 115.211 -0.904 . . . . 0.0 110.006 176.866 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 59' ' ' ASN . . . . . . . . . . . . . 49.5 t-20 -118.44 129.0 55.14 Favored 'General case' 0 C--O 1.237 0.416 0 CA-C-N 115.646 -0.706 . . . . 0.0 109.166 178.606 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -61.85 -20.08 63.29 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.068 -0.514 . . . . 0.0 111.834 -177.421 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 61' ' ' GLU . . . . . 0.515 ' O ' ' HG2' ' A' ' 64' ' ' LYS . 22.0 mm-40 -55.23 -39.95 70.31 Favored 'General case' 0 C--N 1.332 -0.175 0 CA-C-O 120.874 0.369 . . . . 0.0 111.49 178.003 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 62' ' ' HIS . . . . . . . . . . . . . 98.4 m-70 -86.64 -20.22 28.16 Favored 'General case' 0 C--N 1.323 -0.555 0 C-N-CA 120.699 -0.4 . . . . 0.0 110.593 -177.83 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 63' ' ' ARG . . . . . . . . . . . . . 6.9 tpp180 -73.4 -42.74 61.75 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-N 116.097 -0.502 . . . . 0.0 109.821 174.507 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 64' ' ' LYS . . . . . 0.515 ' HG2' ' O ' ' A' ' 61' ' ' GLU . 54.7 pttt -65.92 -40.05 91.08 Favored 'General case' 0 C--O 1.225 -0.186 0 CA-C-N 116.44 -0.346 . . . . 0.0 110.235 179.383 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 1.3 mm? -60.58 -49.34 77.94 Favored 'General case' 0 C--O 1.233 0.215 0 CA-C-O 120.62 0.248 . . . . 0.0 110.763 177.52 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 7.7 tt -56.26 -44.08 79.37 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 115.998 -0.546 . . . . 0.0 110.463 177.878 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 33.1 tt0 -63.95 -46.65 83.76 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.741 -179.228 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 68' ' ' GLN . . . . . 0.501 ' HG3' ' O ' ' A' ' 64' ' ' LYS . 55.2 mt-30 -56.05 -51.94 66.04 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.033 -0.53 . . . . 0.0 111.251 179.75 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 41.6 mt-10 -68.47 -40.91 80.84 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 116.365 -0.38 . . . . 0.0 111.192 -177.507 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 70' ' ' MET . . . . . 0.472 ' HA ' ' NE1' ' A' ' 42' ' ' TRP . 52.9 ttm -61.88 -51.17 69.26 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.521 -0.309 . . . . 0.0 111.224 -179.381 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 71' ' ' VAL . . . . . . . . . . . . . 69.8 t -64.19 -34.79 71.16 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.396 0 CA-C-N 116.444 -0.344 . . . . 0.0 110.726 -179.665 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 8.3 t -67.96 -36.34 79.9 Favored 'General case' 0 C--N 1.324 -0.501 0 CA-C-O 120.589 0.233 . . . . 0.0 111.245 -178.027 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 73' ' ' PHE . . . . . . . . . . . . . 75.8 t80 -84.84 -56.88 3.35 Favored 'General case' 0 C--N 1.327 -0.37 0 C-N-CA 121.099 -0.24 . . . . 0.0 111.344 -177.428 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 74' ' ' LEU . . . . . 0.417 ' O ' HD11 ' A' ' 34' ' ' ILE . 92.7 mt -71.44 -54.71 9.75 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-O 120.989 0.423 . . . . 0.0 111.572 -174.518 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 75' ' ' PHE . . . . . . . . . . . . . 78.0 t80 -78.34 -42.62 30.05 Favored 'General case' 0 C--N 1.321 -0.665 0 CA-C-N 116.277 -0.419 . . . . 0.0 110.382 -177.098 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 9.4 tp10 62.49 92.37 0.06 Allowed 'General case' 0 C--O 1.234 0.248 0 O-C-N 124.001 0.813 . . . . 0.0 110.846 -178.93 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . 141.33 51.22 0.04 OUTLIER Glycine 0 N--CA 1.445 -0.747 0 CA-C-N 115.505 -0.77 . . . . 0.0 112.281 -179.98 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 78' ' ' LYS . . . . . 0.608 ' HD2' ' O ' ' A' ' 78' ' ' LYS . 0.0 OUTLIER -92.23 145.94 24.1 Favored 'General case' 0 C--N 1.324 -0.502 0 CA-C-O 120.98 0.419 . . . . 0.0 110.736 177.967 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 79' ' ' ASP . . . . . . . . . . . . . 2.8 m-20 -95.33 -8.89 34.49 Favored 'General case' 0 C--N 1.322 -0.603 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.692 177.422 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 80' ' ' VAL . . . . . . . . . . . . . 20.1 t -79.02 122.09 33.53 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 CA-C-N 116.03 -0.532 . . . . 0.0 110.528 -178.558 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 81' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER -75.69 129.82 37.72 Favored 'General case' 0 C--N 1.322 -0.592 0 CA-C-N 115.831 -0.622 . . . . 0.0 110.287 179.038 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 82' ' ' ILE . . . . . . . . . . . . . 17.5 mt -104.4 86.25 0.96 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.532 0 CA-C-O 120.973 0.416 . . . . 0.0 111.166 -177.463 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 1.4 mp0 -113.22 -13.61 12.95 Favored 'General case' 0 C--N 1.323 -0.58 0 CA-C-N 115.905 -0.588 . . . . 0.0 109.511 170.731 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 84' ' ' GLY . . . . . . . . . . . . . . . 86.84 -143.91 19.26 Favored Glycine 0 N--CA 1.444 -0.802 0 N-CA-C 111.095 -0.802 . . . . 0.0 111.095 -175.573 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 85' ' ' TYR . . . . . . . . . . . . . 90.3 m-85 60.03 -171.83 0.13 Allowed 'General case' 0 C--O 1.235 0.329 0 CA-C-O 121.669 0.747 . . . . 0.0 111.358 177.75 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 86' ' ' THR . . . . . . . . . . . . . 9.0 p -119.22 92.36 45.41 Favored Pre-proline 0 C--N 1.32 -0.693 0 CA-C-N 115.378 -0.828 . . . . 0.0 109.243 167.444 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 87' ' ' PRO . . . . . . . . . . . . . 3.1 Cg_exo -83.12 -59.68 0.02 OUTLIER 'Trans proline' 0 N--CA 1.458 -0.589 0 C-N-CA 122.808 2.339 . . . . 0.0 111.997 179.723 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 88' ' ' GLU . . . . . . . . . . . . . 10.0 tp10 -156.39 140.09 16.06 Favored 'General case' 0 N--CA 1.448 -0.568 0 N-CA-C 108.914 -0.773 . . . . 0.0 108.914 -179.042 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 89' ' ' ASP . . . . . . . . . . . . . 3.4 p-10 -101.11 -13.29 18.24 Favored 'General case' 0 C--N 1.325 -0.461 0 CA-C-O 121.129 0.49 . . . . 0.0 110.241 -179.525 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 16.0 tppt? -99.65 113.5 25.99 Favored 'General case' 0 C--N 1.324 -0.503 0 CA-C-N 115.717 -0.674 . . . . 0.0 110.875 -179.6 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 91' ' ' LYS . . . . . . . . . . . . . 20.9 pttp . . . . . 0 C--O 1.244 0.773 0 CA-C-O 118.252 -0.88 . . . . 0.0 109.752 175.398 . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 25.5 ptm . . . . . 0 N--CA 1.482 1.156 0 CA-C-O 120.666 0.269 . . . . 0.0 111.114 . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 52.3 m -74.01 104.48 4.87 Favored 'General case' 0 N--CA 1.453 -0.308 0 CA-C-O 120.827 0.346 . . . . 0.0 110.078 176.227 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 3' ' ' ARG . . . . . . . . . . . . . 14.0 tpp180 -118.77 92.45 3.81 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-O 121.175 0.512 . . . . 0.0 110.131 179.039 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 5.8 p -90.24 110.72 21.76 Favored 'General case' 0 C--N 1.32 -0.709 0 CA-C-N 115.597 -0.728 . . . . 0.0 110.995 -178.042 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 5' ' ' ILE . . . . . . . . . . . . . 27.6 pt -105.18 156.63 6.17 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.528 0 CA-C-N 116.019 -0.537 . . . . 0.0 110.154 178.136 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 6' ' ' PHE . . . . . . . . . . . . . 63.6 m-85 -109.03 93.7 4.65 Favored 'General case' 0 C--N 1.32 -0.703 0 N-CA-C 108.879 -0.785 . . . . 0.0 108.879 174.747 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 7' ' ' CYS . . . . . 0.535 ' HA ' ' O ' ' A' ' 33' ' ' GLU . 37.1 m -57.45 137.78 55.81 Favored 'General case' 0 C--N 1.325 -0.487 0 CA-C-N 115.699 -0.682 . . . . 0.0 110.818 -176.835 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 1.7 p -65.07 -40.66 95.0 Favored 'General case' 0 C--N 1.319 -0.723 0 CA-C-O 120.789 0.328 . . . . 0.0 111.063 -179.738 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 9' ' ' TYR . . . . . . . . . . . . . 45.3 t80 -71.98 -37.95 69.78 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 115.984 -0.553 . . . . 0.0 111.686 -178.722 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 10' ' ' LEU . . . . . 0.408 ' HB2' ' HB2' ' A' ' 7' ' ' CYS . 93.2 mt -92.36 -33.75 14.46 Favored 'General case' 0 C--N 1.326 -0.437 0 C-N-CA 121.087 -0.245 . . . . 0.0 111.628 -174.902 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 80.9 mm-40 59.95 33.42 21.45 Favored 'General case' 0 N--CA 1.464 0.237 0 CA-C-O 121.476 0.655 . . . . 0.0 110.789 -177.056 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 12' ' ' ARG . . . . . 0.406 ' HG3' ' O ' ' A' ' 10' ' ' LEU . 43.7 mtt180 -135.55 173.45 11.7 Favored 'General case' 0 C--N 1.326 -0.434 0 N-CA-C 108.515 -0.92 . . . . 0.0 108.515 179.38 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 3.9 p-10 -82.38 129.26 34.84 Favored 'General case' 0 C--N 1.321 -0.643 0 CA-C-O 121.639 0.733 . . . . 0.0 110.238 179.366 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -140.23 179.73 6.47 Favored 'General case' 0 C--N 1.316 -0.86 0 CA-C-N 115.083 -0.962 . . . . 0.0 109.151 178.629 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 32.6 tt0 -98.24 128.0 44.47 Favored 'General case' 0 C--N 1.318 -0.77 0 N-CA-C 109.749 -0.463 . . . . 0.0 109.749 179.427 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . -61.8 145.69 48.98 Favored Glycine 0 N--CA 1.446 -0.676 0 C-N-CA 120.813 -0.708 . . . . 0.0 111.742 178.312 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 17' ' ' GLN . . . . . 0.47 ' HB3' ' HB3' ' A' ' 31' ' ' TYR . 14.1 tm0? -63.48 124.1 20.47 Favored 'General case' 0 C--N 1.321 -0.64 0 N-CA-C 109.419 -0.586 . . . . 0.0 109.419 -179.352 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 7.7 p-10 -83.09 116.83 22.48 Favored 'General case' 0 C--N 1.323 -0.556 0 CA-C-N 115.662 -0.699 . . . . 0.0 112.001 -172.92 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 86.3 m-85 70.19 115.83 0.04 OUTLIER 'General case' 0 N--CA 1.465 0.284 0 CA-C-N 114.638 -1.164 . . . . 0.0 112.651 173.566 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 53.0 mt-30 -56.59 112.56 1.31 Allowed 'General case' 0 N--CA 1.453 -0.282 0 CA-C-N 115.327 -0.851 . . . . 0.0 109.898 174.871 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 21' ' ' LEU . . . . . 0.627 ' H ' HD12 ' A' ' 21' ' ' LEU . 0.7 OUTLIER -74.1 -37.87 64.03 Favored 'General case' 0 C--N 1.321 -0.669 0 CA-C-N 115.846 -0.615 . . . . 0.0 110.803 -172.307 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 22' ' ' TYR . . . . . 0.497 ' HB3' ' HD3' ' A' ' 23' ' ' PRO . 70.2 t80 -160.88 -49.0 0.01 OUTLIER Pre-proline 0 C--N 1.325 -0.485 0 CA-C-N 116.103 -0.499 . . . . 0.0 111.52 -178.543 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 23' ' ' PRO . . . . . 0.497 ' HD3' ' HB3' ' A' ' 22' ' ' TYR . 21.4 Cg_exo -66.02 134.96 38.9 Favored 'Trans proline' 0 C--N 1.357 0.984 0 C-N-CA 121.571 1.514 . . . . 0.0 111.898 179.556 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -93.59 -95.22 1.52 Allowed Glycine 0 N--CA 1.448 -0.544 0 C-N-CA 120.899 -0.667 . . . . 0.0 112.351 -175.486 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 34.9 tt0 -57.65 -51.92 67.54 Favored 'General case' 0 C--N 1.323 -0.561 0 CA-C-O 120.899 0.381 . . . . 0.0 110.696 -178.215 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 54.6 tp -62.67 -36.97 84.62 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-N 115.854 -0.612 . . . . 0.0 110.264 178.243 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 27' ' ' GLY . . . . . 0.444 ' CA ' ' HB2' ' A' ' 23' ' ' PRO . . . -57.93 -64.29 4.48 Favored Glycine 0 N--CA 1.448 -0.52 0 CA-C-N 115.358 -0.837 . . . . 0.0 112.687 -177.537 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 61.5 pttt -66.64 -27.53 67.76 Favored 'General case' 0 C--N 1.327 -0.406 0 C-N-CA 121.051 -0.26 . . . . 0.0 111.079 -175.21 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 70.8 ttt180 -59.79 -36.99 77.85 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-O 120.941 0.401 . . . . 0.0 110.41 177.933 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 30' ' ' ILE . . . . . . . . . . . . . 62.8 mt -91.62 -47.97 14.0 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.378 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.154 179.727 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 31' ' ' TYR . . . . . 0.47 ' HB3' ' HB3' ' A' ' 17' ' ' GLN . 18.7 m-85 -63.44 -18.32 63.63 Favored 'General case' 0 N--CA 1.466 0.348 0 N-CA-C 113.19 0.811 . . . . 0.0 113.19 -172.567 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 32' ' ' ASN . . . . . . . . . . . . . 1.4 p30 -87.84 -11.43 47.89 Favored 'General case' 0 C--N 1.33 -0.282 0 C-N-CA 120.388 -0.525 . . . . 0.0 110.748 -179.548 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 33' ' ' GLU . . . . . 0.535 ' O ' ' HA ' ' A' ' 7' ' ' CYS . 43.6 mt-10 -130.27 10.5 5.33 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-O 120.909 0.385 . . . . 0.0 111.061 -178.749 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 34' ' ' ILE . . . . . 0.484 HD11 ' O ' ' A' ' 74' ' ' LEU . 6.5 mm -134.92 126.82 47.7 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-O 121.056 0.455 . . . . 0.0 110.466 178.755 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 35' ' ' SER . . . . . 0.456 ' HB2' ' SG ' ' A' ' 7' ' ' CYS . 32.9 t -70.19 155.67 40.31 Favored 'General case' 0 C--N 1.323 -0.555 0 CA-C-N 115.496 -0.774 . . . . 0.0 110.43 178.535 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 63.3 mttt -60.0 -34.32 73.18 Favored 'General case' 0 C--N 1.325 -0.471 0 CA-C-N 115.609 -0.723 . . . . 0.0 110.692 -178.31 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 4.7 p-10 -72.63 -39.84 66.91 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.613 -178.669 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -65.56 -40.11 92.44 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-O 121.002 0.429 . . . . 0.0 110.299 178.89 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 39' ' ' TRP . . . . . 0.452 ' O ' ' HG3' ' A' ' 43' ' ' GLN . 70.6 t-105 -61.93 -47.27 85.68 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 115.628 -0.715 . . . . 0.0 110.162 176.275 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -63.72 -42.3 97.95 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 115.885 -0.598 . . . . 0.0 111.655 -178.394 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 26.9 mm-40 -58.92 -41.42 87.26 Favored 'General case' 0 C--O 1.235 0.337 0 CA-C-N 116.231 -0.44 . . . . 0.0 111.284 179.759 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 42' ' ' TRP . . . . . . . . . . . . . 35.3 t-105 -67.4 -42.94 82.48 Favored 'General case' 0 C--N 1.328 -0.329 0 C-N-CA 120.742 -0.383 . . . . 0.0 110.969 179.353 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 43' ' ' GLN . . . . . 0.452 ' HG3' ' O ' ' A' ' 39' ' ' TRP . 37.4 mt-30 -59.37 -36.43 75.74 Favored 'General case' 0 C--N 1.331 -0.211 0 CA-C-O 120.819 0.342 . . . . 0.0 110.775 179.185 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 44' ' ' HIS . . . . . . . . . . . . . 23.3 t-80 -58.92 -51.15 71.25 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 115.863 -0.608 . . . . 0.0 110.404 177.921 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 18.1 tppt? -69.85 -38.19 76.39 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 115.964 -0.562 . . . . 0.0 111.12 -179.002 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 46' ' ' GLN . . . . . 0.444 ' O ' HG13 ' A' ' 50' ' ' ILE . 23.7 tp60 -61.85 -41.09 97.41 Favored 'General case' 0 C--N 1.325 -0.5 0 CA-C-O 120.792 0.33 . . . . 0.0 110.771 -179.625 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 33.4 m -68.18 -38.01 81.58 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.313 177.755 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 48' ' ' MET . . . . . . . . . . . . . 27.7 ttt -61.08 -41.22 96.24 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 116.089 -0.505 . . . . 0.0 110.064 176.333 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 4.9 mp -56.83 -40.35 75.89 Favored 'General case' 0 N--CA 1.462 0.174 0 CA-C-N 115.944 -0.571 . . . . 0.0 111.109 175.333 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 50' ' ' ILE . . . . . 0.444 HG13 ' O ' ' A' ' 46' ' ' GLN . 68.1 mt -67.23 -38.01 80.2 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.521 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.706 179.779 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 51' ' ' ASN . . . . . . . . . . . . . 92.8 m-20 -73.96 -40.68 62.85 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-N 116.13 -0.486 . . . . 0.0 111.266 -178.92 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 49.5 mt-10 -78.9 -52.6 8.06 Favored 'General case' 0 C--N 1.327 -0.398 0 N-CA-C 111.963 0.357 . . . . 0.0 111.963 -177.743 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 48.2 mttm -96.17 -14.06 23.06 Favored 'General case' 0 C--N 1.325 -0.494 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.64 -169.552 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 34.7 mmtp 54.05 52.13 13.35 Favored 'General case' 0 C--O 1.234 0.278 0 CA-C-O 121.24 0.543 . . . . 0.0 111.1 -179.163 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 55' ' ' LEU . . . . . 0.42 ' HB2' ' HB3' ' A' ' 62' ' ' HIS . 0.3 OUTLIER -87.56 77.67 8.71 Favored 'General case' 0 C--N 1.324 -0.541 0 CA-C-O 121.467 0.651 . . . . 0.0 110.962 178.67 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 56' ' ' ASN . . . . . . . . . . . . . 18.5 m120 -65.25 135.7 55.71 Favored 'General case' 0 C--N 1.324 -0.501 0 CA-C-N 115.404 -0.816 . . . . 0.0 109.933 177.099 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 57' ' ' MET . . . . . 0.501 ' SD ' ' HA ' ' A' ' 63' ' ' ARG . 21.2 mmt -78.78 6.43 9.02 Favored 'General case' 0 C--N 1.324 -0.512 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.204 -173.495 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 58' ' ' MET . . . . . . . . . . . . . 26.0 ptt? -64.74 -21.58 66.79 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-O 121.083 0.468 . . . . 0.0 109.98 174.639 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 59' ' ' ASN . . . . . . . . . . . . . 16.0 m120 -107.17 126.82 52.89 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-N 115.787 -0.642 . . . . 0.0 109.836 176.658 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -61.64 -24.76 66.93 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-O 120.834 0.349 . . . . 0.0 111.528 -176.271 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 24.1 mt-10 -64.35 -48.14 76.69 Favored 'General case' 0 C--N 1.322 -0.614 0 CA-C-O 121.419 0.628 . . . . 0.0 110.488 176.945 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 62' ' ' HIS . . . . . 0.434 ' O ' ' HB2' ' A' ' 65' ' ' LEU . 50.8 m-70 -76.99 -26.67 54.16 Favored 'General case' 0 C--N 1.321 -0.656 0 CA-C-O 121.176 0.512 . . . . 0.0 109.645 -179.591 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 63' ' ' ARG . . . . . 0.505 ' HD3' ' O ' ' A' ' 63' ' ' ARG . 1.9 tmt_? -72.66 -37.74 67.85 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 115.86 -0.609 . . . . 0.0 110.47 179.473 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 6.1 ptpp? -69.73 -27.73 65.21 Favored 'General case' 0 C--O 1.221 -0.423 0 C-N-CA 120.292 -0.563 . . . . 0.0 110.09 177.405 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 65' ' ' LEU . . . . . 0.434 ' HB2' ' O ' ' A' ' 62' ' ' HIS . 62.7 mt -56.0 -51.87 66.21 Favored 'General case' 0 C--O 1.234 0.273 0 CA-C-O 120.803 0.335 . . . . 0.0 110.205 171.921 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 32.6 tp -49.95 -49.2 51.02 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 115.393 -0.822 . . . . 0.0 111.188 174.133 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 8.1 tp10 -64.91 -55.82 16.99 Favored 'General case' 0 C--N 1.324 -0.513 0 CA-C-N 115.817 -0.628 . . . . 0.0 111.619 -176.46 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 68' ' ' GLN . . . . . 0.465 ' NE2' HG12 ' A' ' 82' ' ' ILE . 53.2 mt-30 -62.64 -53.28 56.99 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-N 115.893 -0.594 . . . . 0.0 111.736 -174.139 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 18.3 mt-10 -67.91 -28.25 67.33 Favored 'General case' 0 C--N 1.329 -0.297 0 C-N-CA 120.837 -0.345 . . . . 0.0 111.651 -174.982 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 70' ' ' MET . . . . . . . . . . . . . 18.3 tmm? -60.27 -53.23 60.14 Favored 'General case' 0 C--O 1.234 0.243 0 N-CA-C 110.131 -0.322 . . . . 0.0 110.131 176.077 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 71' ' ' VAL . . . . . . . . . . . . . 43.7 t -63.34 -33.76 63.14 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.425 179.696 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 26.9 m -70.17 -36.86 74.98 Favored 'General case' 0 C--N 1.324 -0.532 0 CA-C-N 115.732 -0.667 . . . . 0.0 111.823 -176.18 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 73' ' ' PHE . . . . . . . . . . . . . 80.2 t80 -85.3 -40.47 16.53 Favored 'General case' 0 C--N 1.325 -0.469 0 CA-C-O 120.686 0.279 . . . . 0.0 111.341 -177.04 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 74' ' ' LEU . . . . . 0.484 ' O ' HD11 ' A' ' 34' ' ' ILE . 93.6 mt -85.89 -46.55 10.49 Favored 'General case' 0 C--N 1.324 -0.501 0 N-CA-C 112.121 0.415 . . . . 0.0 112.121 -174.206 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 75' ' ' PHE . . . . . . . . . . . . . 41.3 t80 -100.05 -25.71 14.21 Favored 'General case' 0 C--N 1.324 -0.527 0 C-N-CA 120.832 -0.347 . . . . 0.0 111.083 -173.68 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 37.3 mt-10 62.23 23.07 13.6 Favored 'General case' 0 C--O 1.236 0.35 0 CA-C-N 115.913 -0.585 . . . . 0.0 111.633 179.257 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . -146.12 80.98 0.21 Allowed Glycine 0 N--CA 1.447 -0.61 0 C-N-CA 120.426 -0.892 . . . . 0.0 112.584 -178.3 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 78' ' ' LYS . . . . . 0.408 ' HD2' ' O ' ' A' ' 78' ' ' LYS . 1.8 pptp? -124.49 152.72 43.03 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-O 120.894 0.378 . . . . 0.0 110.404 175.066 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 79' ' ' ASP . . . . . . . . . . . . . 31.8 t70 -104.43 -11.19 17.21 Favored 'General case' 0 C--N 1.323 -0.551 0 CA-C-O 121.406 0.622 . . . . 0.0 110.306 179.12 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 80' ' ' VAL . . . . . . . . . . . . . 3.7 t -80.87 92.92 2.05 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.418 0 CA-C-N 116.057 -0.519 . . . . 0.0 110.189 -179.619 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 81' ' ' HIS . . . . . . . . . . . . . 4.2 p-80 -70.42 148.59 48.18 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.115 -0.493 . . . . 0.0 111.564 -177.993 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 82' ' ' ILE . . . . . 0.465 HG12 ' NE2' ' A' ' 68' ' ' GLN . 18.7 mt -106.74 109.23 27.34 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 CA-C-N 115.797 -0.638 . . . . 0.0 110.162 -177.927 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 48.7 mt-10 -109.94 7.74 23.95 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-O 120.708 0.29 . . . . 0.0 111.408 -177.193 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 84' ' ' GLY . . . . . . . . . . . . . . . 98.39 -157.85 20.43 Favored Glycine 0 N--CA 1.447 -0.629 0 C-N-CA 120.46 -0.876 . . . . 0.0 112.062 179.125 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 85' ' ' TYR . . . . . . . . . . . . . 36.1 p90 -109.19 -5.2 16.03 Favored 'General case' 0 C--N 1.325 -0.482 0 CA-C-O 120.911 0.386 . . . . 0.0 111.255 -177.551 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 86' ' ' THR . . . . . . . . . . . . . 24.4 m -110.38 111.01 57.84 Favored Pre-proline 0 C--N 1.324 -0.5 0 CA-C-N 116.422 -0.354 . . . . 0.0 110.792 -179.951 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 87' ' ' PRO . . . . . . . . . . . . . 84.6 Cg_endo -87.05 -179.63 2.91 Favored 'Trans proline' 0 N--CA 1.458 -0.595 0 C-N-CA 122.97 2.447 . . . . 0.0 112.409 177.948 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 88' ' ' GLU . . . . . . . . . . . . . 9.6 pt-20 -143.24 165.25 27.98 Favored 'General case' 0 C--N 1.322 -0.618 0 CA-C-N 116.027 -0.533 . . . . 0.0 109.756 176.614 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 89' ' ' ASP . . . . . . . . . . . . . 34.8 m-20 -80.51 156.11 26.68 Favored 'General case' 0 C--N 1.325 -0.473 0 CA-C-O 121.169 0.509 . . . . 0.0 111.23 -174.783 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 4.2 tppp? -115.65 131.95 56.78 Favored 'General case' 0 C--N 1.324 -0.533 0 CA-C-N 115.571 -0.741 . . . . 0.0 110.101 -178.733 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 91' ' ' LYS . . . . . . . . . . . . . 54.6 mtpt . . . . . 0 C--O 1.249 1.028 0 CA-C-O 118.571 -0.728 . . . . 0.0 110.058 175.815 . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 85.3 mmm . . . . . 0 N--CA 1.483 1.185 0 CA-C-O 120.531 0.205 . . . . 0.0 110.628 . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 34.2 m 64.27 43.65 4.72 Favored 'General case' 0 C--N 1.332 -0.175 0 CA-C-N 115.856 -0.611 . . . . 0.0 111.58 176.596 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 3' ' ' ARG . . . . . . . . . . . . . 38.3 ttm180 -81.55 91.24 6.33 Favored 'General case' 0 C--N 1.328 -0.344 0 N-CA-C 108.035 -1.098 . . . . 0.0 108.035 171.009 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 23.7 p -116.0 150.5 37.11 Favored 'General case' 0 N--CA 1.446 -0.669 0 CA-C-N 115.076 -0.965 . . . . 0.0 111.721 -170.653 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 5' ' ' ILE . . . . . . . . . . . . . 2.9 pp -131.15 152.38 37.37 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.818 0 CA-C-N 115.099 -0.955 . . . . 0.0 109.428 176.525 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 6' ' ' PHE . . . . . . . . . . . . . 54.5 t80 -78.67 107.93 11.71 Favored 'General case' 0 C--N 1.322 -0.612 0 N-CA-C 109.263 -0.643 . . . . 0.0 109.263 178.175 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 7' ' ' CYS . . . . . 0.468 ' HB2' ' HB2' ' A' ' 10' ' ' LEU . 44.5 m -70.79 127.51 32.88 Favored 'General case' 0 C--N 1.319 -0.739 0 CA-C-N 115.776 -0.647 . . . . 0.0 111.089 -176.374 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 10.0 p -66.9 -43.24 83.91 Favored 'General case' 0 C--N 1.322 -0.624 0 CA-C-O 121.231 0.538 . . . . 0.0 111.068 179.675 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 9' ' ' TYR . . . . . . . . . . . . . 76.3 t80 -81.85 -31.52 31.56 Favored 'General case' 0 C--N 1.324 -0.519 0 CA-C-N 115.921 -0.581 . . . . 0.0 111.895 -177.007 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 10' ' ' LEU . . . . . 0.468 ' HB2' ' HB2' ' A' ' 7' ' ' CYS . 90.3 mt -96.3 -21.7 17.66 Favored 'General case' 0 C--N 1.326 -0.425 0 C-N-CA 120.81 -0.356 . . . . 0.0 111.73 -175.413 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 32.1 mm-40 63.93 18.32 11.11 Favored 'General case' 0 N--CA 1.467 0.384 0 N-CA-C 112.23 0.456 . . . . 0.0 112.23 178.013 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 95.0 mtt180 -125.57 173.35 9.02 Favored 'General case' 0 C--N 1.325 -0.477 0 CA-C-O 120.754 0.312 . . . . 0.0 110.244 178.053 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 11.1 m-20 -91.59 110.85 22.18 Favored 'General case' 0 C--N 1.322 -0.603 0 CA-C-N 115.673 -0.694 . . . . 0.0 109.598 176.503 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 14' ' ' ALA . . . . . 0.448 ' HB3' ' SG ' ' A' ' 7' ' ' CYS . . . -130.75 163.73 26.66 Favored 'General case' 0 C--N 1.318 -0.795 0 CA-C-N 116.285 -0.416 . . . . 0.0 110.442 -179.036 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 43.7 tt0 -63.89 123.05 17.96 Favored 'General case' 0 C--N 1.322 -0.617 0 CA-C-N 116.125 -0.488 . . . . 0.0 110.617 -178.015 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . -65.1 149.38 51.71 Favored Glycine 0 N--CA 1.448 -0.558 0 CA-C-N 115.513 -0.767 . . . . 0.0 112.547 -177.282 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 17' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -72.14 97.74 2.0 Allowed 'General case' 0 C--N 1.323 -0.562 0 N-CA-C 109.327 -0.62 . . . . 0.0 109.327 179.216 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 18.4 t70 -90.03 4.16 51.04 Favored 'General case' 0 C--N 1.32 -0.698 0 CA-C-N 115.973 -0.558 . . . . 0.0 111.795 -170.007 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 98.5 m-85 -96.93 96.16 8.33 Favored 'General case' 0 C--N 1.322 -0.597 0 CA-C-N 116.231 -0.44 . . . . 0.0 111.426 -177.561 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 36.0 tt0 -96.56 114.71 26.39 Favored 'General case' 0 C--N 1.323 -0.566 0 N-CA-C 109.16 -0.681 . . . . 0.0 109.16 174.153 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 21' ' ' LEU . . . . . 0.403 HD13 ' H ' ' A' ' 21' ' ' LEU . 0.0 OUTLIER -141.88 1.13 1.46 Allowed 'General case' 0 C--N 1.324 -0.515 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.825 -174.128 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 22' ' ' TYR . . . . . 0.537 ' HB3' ' HD3' ' A' ' 23' ' ' PRO . 9.3 t80 -148.79 -56.59 0.02 OUTLIER Pre-proline 0 C--N 1.325 -0.488 0 C-N-CA 121.046 -0.262 . . . . 0.0 111.193 -176.948 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 23' ' ' PRO . . . . . 0.537 ' HD3' ' HB3' ' A' ' 22' ' ' TYR . 19.7 Cg_endo -95.65 147.3 1.36 Allowed 'Trans proline' 0 C--N 1.354 0.824 0 C-N-CA 122.544 2.163 . . . . 0.0 112.915 -177.317 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -95.28 -103.68 1.93 Allowed Glycine 0 N--CA 1.451 -0.365 0 C-N-CA 120.871 -0.681 . . . . 0.0 112.74 -176.765 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 15.5 tp10 -65.3 -40.31 93.65 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-O 121.113 0.483 . . . . 0.0 110.084 -179.071 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 56.7 tp -64.86 -34.07 77.51 Favored 'General case' 0 C--N 1.325 -0.492 0 CA-C-N 115.959 -0.564 . . . . 0.0 109.566 174.944 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 27' ' ' GLY . . . . . 0.535 ' CA ' ' HB2' ' A' ' 23' ' ' PRO . . . -62.51 -57.71 15.37 Favored Glycine 0 N--CA 1.445 -0.715 0 CA-C-N 115.371 -0.831 . . . . 0.0 112.299 178.751 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 12.9 ptmm? -61.74 -25.29 67.36 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-O 120.398 0.142 . . . . 0.0 111.195 -179.04 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 29' ' ' ARG . . . . . 0.42 ' O ' ' HG3' ' A' ' 33' ' ' GLU . 11.6 ttp180 -65.35 -54.88 22.38 Favored 'General case' 0 C--N 1.331 -0.201 0 N-CA-C 109.487 -0.56 . . . . 0.0 109.487 174.874 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 30' ' ' ILE . . . . . . . . . . . . . 69.0 mt -63.87 -37.36 79.53 Favored 'Isoleucine or valine' 0 C--O 1.219 -0.534 0 CA-C-N 115.791 -0.64 . . . . 0.0 110.799 -178.858 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 31' ' ' TYR . . . . . . . . . . . . . 20.7 m-30 -65.05 -26.42 68.24 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-O 121.073 0.463 . . . . 0.0 111.014 177.838 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 32' ' ' ASN . . . . . . . . . . . . . 1.8 t30 -83.58 -22.17 32.4 Favored 'General case' 0 C--N 1.321 -0.658 0 CA-C-N 115.476 -0.784 . . . . 0.0 110.871 179.723 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 33' ' ' GLU . . . . . 0.434 ' O ' ' HA ' ' A' ' 7' ' ' CYS . 41.3 mt-10 -101.82 -24.21 14.08 Favored 'General case' 0 C--N 1.325 -0.49 0 CA-C-O 121.158 0.504 . . . . 0.0 110.945 -178.73 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 34' ' ' ILE . . . . . 0.502 HG23 ' HB3' ' A' ' 38' ' ' ALA . 19.3 mm -124.81 129.62 73.52 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.542 0 CA-C-O 121.315 0.579 . . . . 0.0 111.19 -176.619 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 8.1 p -82.61 171.14 14.38 Favored 'General case' 0 C--N 1.32 -0.681 0 CA-C-N 115.416 -0.811 . . . . 0.0 111.242 178.844 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 95.3 mttt -59.5 -30.46 68.58 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-N 115.985 -0.552 . . . . 0.0 110.955 178.53 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 15.3 m-20 -63.59 -58.22 7.63 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.732 -179.279 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 38' ' ' ALA . . . . . 0.502 ' HB3' HG23 ' A' ' 34' ' ' ILE . . . -66.44 -33.31 75.41 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 115.815 -0.629 . . . . 0.0 110.902 -179.013 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 39' ' ' TRP . . . . . . . . . . . . . 75.0 t-105 -58.8 -53.09 62.35 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 115.904 -0.589 . . . . 0.0 110.53 178.127 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -67.08 -42.73 84.17 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 115.921 -0.581 . . . . 0.0 110.87 179.865 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 55.8 tt0 -55.71 -51.52 67.02 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 115.734 -0.666 . . . . 0.0 111.208 179.838 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 42' ' ' TRP . . . . . 0.452 ' HE1' ' HA ' ' A' ' 70' ' ' MET . 39.7 t-105 -66.52 -47.65 72.26 Favored 'General case' 0 N--CA 1.452 -0.366 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.089 -177.481 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 43' ' ' GLN . . . . . . . . . . . . . 25.8 mt-30 -61.66 -42.22 98.61 Favored 'General case' 0 C--N 1.325 -0.465 0 N-CA-C 111.795 0.294 . . . . 0.0 111.795 -176.723 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 44' ' ' HIS . . . . . . . . . . . . . 7.4 t-80 -66.26 -40.19 89.97 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-O 120.92 0.391 . . . . 0.0 110.406 -177.126 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 45' ' ' LYS . . . . . 0.533 ' HE3' HD11 ' A' ' 49' ' ' LEU . 2.1 tmmm? -73.1 -39.17 66.02 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.029 178.981 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 46' ' ' GLN . . . . . 0.587 ' O ' HG13 ' A' ' 50' ' ' ILE . 51.5 tp60 -65.16 -39.48 93.03 Favored 'General case' 0 C--N 1.324 -0.504 0 CA-C-N 116.333 -0.394 . . . . 0.0 110.527 -179.844 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 32.7 m -61.53 -38.02 85.89 Favored 'General case' 0 C--N 1.328 -0.342 0 N-CA-C 109.95 -0.389 . . . . 0.0 109.95 176.582 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 48' ' ' MET . . . . . 0.488 ' HB3' ' O ' ' A' ' 45' ' ' LYS . 37.0 ttm -57.44 -48.85 78.06 Favored 'General case' 0 C--N 1.332 -0.192 0 CA-C-N 115.93 -0.577 . . . . 0.0 109.89 173.809 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 49' ' ' LEU . . . . . 0.533 HD11 ' HE3' ' A' ' 45' ' ' LYS . 77.8 mt -62.55 -41.02 98.64 Favored 'General case' 0 C--O 1.221 -0.436 0 CA-C-N 115.715 -0.675 . . . . 0.0 111.111 179.415 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 50' ' ' ILE . . . . . 0.587 HG13 ' O ' ' A' ' 46' ' ' GLN . 88.4 mt -58.12 -37.6 62.95 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.431 0 CA-C-O 120.65 0.262 . . . . 0.0 110.694 179.533 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 51' ' ' ASN . . . . . . . . . . . . . 81.5 m-20 -66.42 -42.79 87.24 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.632 177.94 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 35.7 mt-10 -82.54 -34.82 27.72 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-N 115.957 -0.565 . . . . 0.0 111.754 -174.056 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 99.3 mttt -76.98 -19.23 57.57 Favored 'General case' 0 C--N 1.326 -0.414 0 N-CA-C 109.972 -0.381 . . . . 0.0 109.972 176.335 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 58.0 mtpt 58.81 42.44 19.9 Favored 'General case' 0 N--CA 1.465 0.29 0 CA-C-N 115.749 -0.659 . . . . 0.0 110.201 -179.813 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 55' ' ' LEU . . . . . 0.418 HD12 HG12 ' A' ' 50' ' ' ILE . 69.6 mt -61.08 125.72 24.76 Favored 'General case' 0 C--O 1.234 0.24 0 CA-C-N 115.223 -0.898 . . . . 0.0 112.006 -175.132 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 56' ' ' ASN . . . . . . . . . . . . . 31.4 t30 -95.75 113.59 25.24 Favored 'General case' 0 C--N 1.324 -0.536 0 CA-C-N 115.289 -0.868 . . . . 0.0 109.922 174.37 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 57' ' ' MET . . . . . . . . . . . . . 1.1 mpt? -79.99 -2.38 43.78 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.515 -177.792 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 58' ' ' MET . . . . . . . . . . . . . 59.8 mtm -87.0 1.26 53.42 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-O 121.318 0.58 . . . . 0.0 110.005 177.255 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 59' ' ' ASN . . . . . . . . . . . . . 13.4 t-20 -123.73 134.86 53.61 Favored 'General case' 0 C--N 1.326 -0.443 0 CA-C-N 115.517 -0.765 . . . . 0.0 110.053 178.791 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -64.64 -34.08 77.45 Favored 'General case' 0 C--N 1.328 -0.364 0 N-CA-C 112.824 0.675 . . . . 0.0 112.824 -172.943 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 30.5 mm-40 -67.32 -36.98 82.56 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-O 120.619 0.247 . . . . 0.0 111.451 -174.082 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 62' ' ' HIS . . . . . . . . . . . . . 90.5 m-70 -81.65 -24.96 35.99 Favored 'General case' 0 C--N 1.325 -0.491 0 CA-C-O 121.196 0.522 . . . . 0.0 109.874 178.509 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 63' ' ' ARG . . . . . . . . . . . . . 44.8 tpt85 -70.76 -45.08 65.43 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 115.658 -0.701 . . . . 0.0 110.514 177.52 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 17.6 ptpt -67.74 -35.34 78.55 Favored 'General case' 0 C--N 1.332 -0.194 0 CA-C-N 116.266 -0.424 . . . . 0.0 110.047 178.605 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 66.4 tp -58.37 -40.55 82.59 Favored 'General case' 0 C--O 1.233 0.207 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.172 177.887 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 36.6 tp -58.58 -49.99 75.44 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 115.643 -0.708 . . . . 0.0 110.407 177.348 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 17.2 mm-40 -59.44 -44.21 92.98 Favored 'General case' 0 C--O 1.235 0.306 0 CA-C-O 121.371 0.605 . . . . 0.0 110.667 177.722 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 68' ' ' GLN . . . . . 0.514 ' HB3' HG12 ' A' ' 82' ' ' ILE . 23.4 mt-30 -54.07 -60.3 3.51 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-N 114.927 -1.033 . . . . 0.0 112.077 -177.513 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 17.9 pt-20 -74.49 -26.44 60.01 Favored 'General case' 0 C--N 1.328 -0.33 0 C-N-CA 120.413 -0.515 . . . . 0.0 111.483 -175.626 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 70' ' ' MET . . . . . 0.452 ' HA ' ' HE1' ' A' ' 42' ' ' TRP . 37.5 ttm -60.12 -57.53 12.45 Favored 'General case' 0 C--N 1.331 -0.209 0 CA-C-O 121.199 0.523 . . . . 0.0 110.948 177.422 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 71' ' ' VAL . . . . . . . . . . . . . 60.8 t -69.84 -30.49 44.68 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 CA-C-N 115.825 -0.625 . . . . 0.0 111.156 -177.035 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 13.3 t -68.32 -25.41 65.1 Favored 'General case' 0 C--N 1.323 -0.579 0 CA-C-O 120.642 0.258 . . . . 0.0 110.55 179.914 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 73' ' ' PHE . . . . . . . . . . . . . 59.7 t80 -89.25 -47.99 7.68 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-O 120.806 0.336 . . . . 0.0 110.63 177.861 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 74' ' ' LEU . . . . . 0.416 ' HB3' HG13 ' A' ' 34' ' ' ILE . 95.7 mt -74.96 -38.49 61.69 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.083 -0.508 . . . . 0.0 112.188 -174.571 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 75' ' ' PHE . . . . . 0.429 ' O ' ' HB2' ' A' ' 76' ' ' GLU . 88.3 t80 -104.6 -39.22 6.46 Favored 'General case' 0 C--N 1.326 -0.452 0 C-N-CA 121.197 -0.201 . . . . 0.0 111.433 -175.834 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 76' ' ' GLU . . . . . 0.429 ' HB2' ' O ' ' A' ' 75' ' ' PHE . 22.7 mm-40 68.73 90.13 0.1 Allowed 'General case' 0 C--O 1.236 0.36 0 O-C-N 123.724 0.64 . . . . 0.0 110.474 -176.202 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . 135.58 65.66 0.06 OUTLIER Glycine 0 N--CA 1.447 -0.602 0 C-N-CA 120.938 -0.649 . . . . 0.0 112.183 -179.097 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 11.9 mmmt -88.85 133.22 34.34 Favored 'General case' 0 C--N 1.324 -0.518 0 CA-C-O 121.145 0.498 . . . . 0.0 111.971 -179.919 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 79' ' ' ASP . . . . . . . . . . . . . 9.1 p-10 -64.19 -48.53 75.58 Favored 'General case' 0 C--N 1.325 -0.478 0 CA-C-N 115.206 -0.906 . . . . 0.0 110.03 174.187 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 80' ' ' VAL . . . . . . . . . . . . . 65.2 t -66.13 125.54 23.54 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 115.791 -0.64 . . . . 0.0 110.145 176.401 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 81' ' ' HIS . . . . . . . . . . . . . 68.8 m-70 -78.64 117.76 20.1 Favored 'General case' 0 C--N 1.324 -0.511 0 CA-C-N 116.055 -0.52 . . . . 0.0 110.03 -179.048 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 82' ' ' ILE . . . . . 0.514 HG12 ' HB3' ' A' ' 68' ' ' GLN . 13.6 mt -69.1 116.11 9.09 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.586 0 CA-C-N 116.311 -0.404 . . . . 0.0 110.495 -177.594 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 10.2 tp10 66.87 20.26 10.57 Favored 'General case' 0 N--CA 1.468 0.427 0 CA-C-O 121.911 0.862 . . . . 0.0 109.845 -176.871 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 84' ' ' GLY . . . . . . . . . . . . . . . -145.49 28.07 1.79 Allowed Glycine 0 N--CA 1.444 -0.797 0 CA-C-N 115.481 -0.781 . . . . 0.0 111.887 178.732 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 85' ' ' TYR . . . . . . . . . . . . . 53.7 p90 -87.81 171.21 10.56 Favored 'General case' 0 C--N 1.326 -0.415 0 N-CA-C 110.126 -0.324 . . . . 0.0 110.126 -179.562 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 86' ' ' THR . . . . . . . . . . . . . 70.7 p -103.76 153.21 38.88 Favored Pre-proline 0 C--N 1.322 -0.595 0 CA-C-O 120.73 0.3 . . . . 0.0 111.214 -176.47 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 87' ' ' PRO . . . . . . . . . . . . . 24.1 Cg_exo -65.22 -15.19 48.98 Favored 'Trans proline' 0 C--N 1.346 0.406 0 C-N-CA 122.595 2.197 . . . . 0.0 111.589 174.733 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 88' ' ' GLU . . . . . . . . . . . . . 35.8 tt0 -60.84 -39.75 90.27 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 115.648 -0.706 . . . . 0.0 109.729 177.024 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 89' ' ' ASP . . . . . . . . . . . . . 19.3 t70 73.11 -69.17 0.2 Allowed 'General case' 0 N--CA 1.465 0.324 0 CA-C-N 115.109 -0.951 . . . . 0.0 112.036 173.635 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 23.9 pttm -160.51 172.52 17.06 Favored 'General case' 0 C--N 1.324 -0.501 0 CA-C-O 120.844 0.354 . . . . 0.0 110.684 -177.54 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 91' ' ' LYS . . . . . . . . . . . . . 55.8 mtpt . . . . . 0 C--O 1.245 0.832 0 CA-C-O 118.546 -0.74 . . . . 0.0 109.93 178.402 . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 66.5 mtt . . . . . 0 N--CA 1.483 1.181 0 CA-C-O 120.743 0.306 . . . . 0.0 110.838 . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 6.5 m -73.73 109.69 7.44 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.62 179.594 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 3' ' ' ARG . . . . . . . . . . . . . 45.8 ttt180 -142.82 106.7 4.68 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-N 116.288 -0.415 . . . . 0.0 109.926 178.501 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 4' ' ' THR . . . . . 0.509 ' HA ' ' O ' ' A' ' 14' ' ' ALA . 4.3 p -101.99 127.0 49.04 Favored 'General case' 0 C--N 1.322 -0.625 0 CA-C-O 120.953 0.406 . . . . 0.0 111.519 -179.523 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 5' ' ' ILE . . . . . . . . . . . . . 2.7 pp -118.4 179.91 1.72 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 CA-C-N 115.741 -0.663 . . . . 0.0 110.608 179.129 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 6' ' ' PHE . . . . . . . . . . . . . 85.3 m-85 -97.4 100.68 12.12 Favored 'General case' 0 C--N 1.323 -0.558 0 N-CA-C 109.766 -0.457 . . . . 0.0 109.766 177.878 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 7' ' ' CYS . . . . . 0.405 ' HB3' ' HB2' ' A' ' 10' ' ' LEU . 51.3 t -77.16 138.99 39.8 Favored 'General case' 0 C--N 1.325 -0.495 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.703 -176.917 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 10.9 p -65.28 -46.84 78.84 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-N 115.78 -0.645 . . . . 0.0 112.222 -177.911 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 9' ' ' TYR . . . . . . . . . . . . . 42.3 t80 -78.97 -32.38 45.34 Favored 'General case' 0 C--N 1.323 -0.567 0 CA-C-N 116.255 -0.43 . . . . 0.0 111.097 -174.555 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 10' ' ' LEU . . . . . 0.405 ' HB2' ' HB3' ' A' ' 7' ' ' CYS . 10.9 mp -86.32 -33.12 20.7 Favored 'General case' 0 C--N 1.327 -0.393 0 C-N-CA 120.865 -0.334 . . . . 0.0 111.341 -178.77 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 84.9 mm-40 58.71 41.16 22.35 Favored 'General case' 0 N--CA 1.462 0.158 0 CA-C-O 121.535 0.683 . . . . 0.0 110.526 -177.553 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 11.7 mtp180 -146.4 -179.25 6.62 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-N 115.227 -0.897 . . . . 0.0 111.002 -179.828 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 11.0 p-10 -72.59 109.93 6.59 Favored 'General case' 0 C--N 1.325 -0.467 0 CA-C-N 114.967 -1.015 . . . . 0.0 108.709 168.765 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 14' ' ' ALA . . . . . 0.509 ' O ' ' HA ' ' A' ' 4' ' ' THR . . . -132.17 180.0 5.77 Favored 'General case' 0 C--N 1.318 -0.799 0 CA-C-N 115.942 -0.572 . . . . 0.0 111.77 -170.813 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 10.3 mt-10 -71.83 136.36 46.98 Favored 'General case' 0 C--N 1.323 -0.548 0 CA-C-N 115.842 -0.617 . . . . 0.0 110.464 -176.507 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . -80.83 11.67 39.84 Favored Glycine 0 N--CA 1.45 -0.393 0 C-N-CA 120.856 -0.687 . . . . 0.0 112.501 176.659 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 17' ' ' GLN . . . . . 0.618 ' NE2' ' H ' ' A' ' 18' ' ' ASP . 0.0 OUTLIER 61.4 -174.18 0.13 Allowed 'General case' 0 CA--C 1.53 0.192 0 C-N-CA 123.007 0.523 . . . . 0.0 110.903 179.472 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 18' ' ' ASP . . . . . 0.618 ' H ' ' NE2' ' A' ' 17' ' ' GLN . 5.5 p-10 -97.68 165.99 11.7 Favored 'General case' 0 C--N 1.324 -0.52 0 N-CA-C 109.219 -0.66 . . . . 0.0 109.219 174.301 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 97.8 m-85 -88.52 -164.02 1.06 Allowed 'General case' 0 C--N 1.32 -0.699 0 N-CA-C 113.13 0.789 . . . . 0.0 113.13 -165.514 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 10.8 mm100 -64.76 103.56 0.71 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 114.931 -1.031 . . . . 0.0 111.259 -173.813 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 21' ' ' LEU . . . . . 0.44 ' H ' HD12 ' A' ' 21' ' ' LEU . 0.3 OUTLIER -106.04 -18.7 13.95 Favored 'General case' 0 C--N 1.321 -0.638 0 CA-C-N 115.917 -0.583 . . . . 0.0 111.35 175.918 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 22' ' ' TYR . . . . . 0.597 ' H ' ' HD2' ' A' ' 23' ' ' PRO . 43.3 m-85 -151.52 -57.3 0.02 OUTLIER Pre-proline 0 CA--C 1.537 0.481 0 CA-C-N 115.957 -0.565 . . . . 0.0 111.794 -178.281 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 23' ' ' PRO . . . . . 0.597 ' HD2' ' H ' ' A' ' 22' ' ' TYR . 86.7 Cg_endo -78.65 174.06 12.81 Favored 'Trans proline' 0 C--N 1.359 1.124 0 C-N-CA 122.07 1.847 . . . . 0.0 113.273 -171.835 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -106.81 -128.78 6.08 Favored Glycine 0 N--CA 1.445 -0.763 0 CA-C-N 115.686 -0.688 . . . . 0.0 112.361 -179.176 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 25' ' ' GLU . . . . . 0.468 ' HA ' ' HE3' ' A' ' 28' ' ' LYS . 9.9 pt-20 -58.22 -38.44 76.82 Favored 'General case' 0 C--N 1.326 -0.439 0 N-CA-C 112.155 0.428 . . . . 0.0 112.155 -176.08 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 26' ' ' LEU . . . . . 0.529 ' O ' HG13 ' A' ' 30' ' ' ILE . 43.9 tp -67.75 -33.65 75.27 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-O 120.933 0.397 . . . . 0.0 110.147 -179.892 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . -66.31 -51.95 39.6 Favored Glycine 0 N--CA 1.448 -0.532 0 CA-C-N 115.805 -0.634 . . . . 0.0 112.623 -178.818 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 28' ' ' LYS . . . . . 0.468 ' HE3' ' HA ' ' A' ' 25' ' ' GLU . 22.6 pttp -65.67 -27.43 68.35 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-O 120.51 0.195 . . . . 0.0 110.926 -178.32 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 77.7 ttt180 -62.1 -44.81 95.85 Favored 'General case' 0 C--O 1.224 -0.243 0 N-CA-C 109.801 -0.444 . . . . 0.0 109.801 174.327 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 30' ' ' ILE . . . . . 0.529 HG13 ' O ' ' A' ' 26' ' ' LEU . 60.8 mt -64.84 -44.31 96.31 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 CA-C-N 116.279 -0.419 . . . . 0.0 110.896 179.873 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 31' ' ' TYR . . . . . . . . . . . . . 23.4 m-85 -67.58 -33.18 74.49 Favored 'General case' 0 C--N 1.324 -0.539 0 N-CA-C 112.708 0.633 . . . . 0.0 112.708 -173.236 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 32' ' ' ASN . . . . . . . . . . . . . 0.0 OUTLIER -90.42 0.72 57.17 Favored 'General case' 0 C--N 1.327 -0.374 0 C-N-CA 119.933 -0.707 . . . . 0.0 111.214 -178.673 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 8.8 mm-40 -109.54 -25.29 10.54 Favored 'General case' 0 C--N 1.331 -0.2 0 CA-C-O 121.245 0.545 . . . . 0.0 110.144 174.987 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 34' ' ' ILE . . . . . . . . . . . . . 26.2 mm -120.4 119.48 59.96 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.572 0 CA-C-O 121.394 0.616 . . . . 0.0 111.892 -173.686 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 35' ' ' SER . . . . . 0.478 ' CB ' ' HB1' ' A' ' 14' ' ' ALA . 5.8 t -70.76 152.85 43.35 Favored 'General case' 0 C--N 1.321 -0.647 0 CA-C-N 115.004 -0.998 . . . . 0.0 109.756 175.443 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 36' ' ' LYS . . . . . 0.527 ' HG2' ' OE1' ' A' ' 17' ' ' GLN . 53.7 mttm -55.05 -26.98 41.23 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-O 120.641 0.258 . . . . 0.0 110.817 174.568 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 37' ' ' ASP . . . . . 0.47 ' O ' ' HG3' ' A' ' 41' ' ' GLN . 29.0 t70 -53.06 -57.66 9.66 Favored 'General case' 0 C--N 1.325 -0.472 0 CA-C-N 115.993 -0.549 . . . . 0.0 110.747 173.891 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -76.35 -34.33 58.95 Favored 'General case' 0 C--N 1.326 -0.445 0 CA-C-N 115.918 -0.583 . . . . 0.0 110.941 -179.24 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 39' ' ' TRP . . . . . 0.469 ' HB3' ' HA ' ' A' ' 36' ' ' LYS . 77.0 t-105 -61.43 -47.61 84.94 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 120.807 0.336 . . . . 0.0 110.526 -179.966 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -63.13 -46.86 85.27 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 116.088 -0.505 . . . . 0.0 110.698 179.465 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 41' ' ' GLN . . . . . 0.47 ' HG3' ' O ' ' A' ' 37' ' ' ASP . 98.4 mt-30 -58.71 -49.27 78.21 Favored 'General case' 0 CA--C 1.519 -0.236 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.841 179.126 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 42' ' ' TRP . . . . . 0.454 ' HE1' ' HA ' ' A' ' 70' ' ' MET . 33.6 t-105 -65.26 -46.38 80.76 Favored 'General case' 0 C--O 1.221 -0.396 0 CA-C-N 116.478 -0.328 . . . . 0.0 111.259 -177.363 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 43' ' ' GLN . . . . . . . . . . . . . 74.4 mm-40 -62.88 -40.06 96.36 Favored 'General case' 0 C--N 1.323 -0.576 0 C-N-CA 120.973 -0.291 . . . . 0.0 111.125 179.528 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 44' ' ' HIS . . . . . . . . . . . . . 9.7 t60 -66.32 -43.26 86.68 Favored 'General case' 0 C--N 1.324 -0.506 0 CA-C-O 121.286 0.565 . . . . 0.0 110.123 179.103 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 25.5 tptp -67.3 -52.32 41.99 Favored 'General case' 0 C--N 1.323 -0.563 0 CA-C-N 115.217 -0.901 . . . . 0.0 110.55 -178.435 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 46' ' ' GLN . . . . . 0.487 ' O ' HG13 ' A' ' 50' ' ' ILE . 52.0 tp60 -61.13 -41.18 96.25 Favored 'General case' 0 C--N 1.323 -0.552 0 CA-C-N 115.652 -0.704 . . . . 0.0 111.098 -177.129 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 90.7 m -63.79 -34.12 77.2 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-O 120.872 0.367 . . . . 0.0 110.465 178.173 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 48' ' ' MET . . . . . . . . . . . . . 14.8 tpt -68.79 -41.43 78.76 Favored 'General case' 0 C--N 1.329 -0.313 0 N-CA-C 109.75 -0.463 . . . . 0.0 109.75 176.233 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 9.5 mp -60.93 -37.25 81.69 Favored 'General case' 0 C--N 1.332 -0.179 0 CA-C-N 115.867 -0.606 . . . . 0.0 110.355 174.926 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 50' ' ' ILE . . . . . 0.487 HG13 ' O ' ' A' ' 46' ' ' GLN . 81.3 mt -62.97 -30.89 50.71 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.389 0 CA-C-N 116.022 -0.535 . . . . 0.0 110.767 176.632 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 51' ' ' ASN . . . . . . . . . . . . . 94.4 m-20 -76.96 -36.76 56.28 Favored 'General case' 0 C--N 1.324 -0.527 0 CA-C-N 116.5 -0.318 . . . . 0.0 110.86 177.587 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 46.0 mt-10 -71.76 -50.81 26.65 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 121.06 0.457 . . . . 0.0 110.836 179.416 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 94.2 mttt -73.68 -21.51 60.23 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-N 115.857 -0.61 . . . . 0.0 110.405 179.434 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 42.8 mtmt 54.49 70.06 0.66 Allowed 'General case' 0 C--O 1.234 0.279 0 CA-C-N 115.415 -0.811 . . . . 0.0 110.099 -170.231 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 55' ' ' LEU . . . . . 0.45 ' HB2' HG23 ' A' ' 50' ' ' ILE . 76.8 mt -88.77 101.59 14.17 Favored 'General case' 0 C--N 1.326 -0.452 0 CA-C-N 115.366 -0.833 . . . . 0.0 110.347 -178.416 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 56' ' ' ASN . . . . . . . . . . . . . 46.6 t-20 -87.62 122.38 31.24 Favored 'General case' 0 C--N 1.318 -0.768 0 N-CA-C 108.956 -0.757 . . . . 0.0 108.956 175.987 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 57' ' ' MET . . . . . . . . . . . . . 25.7 mmt -79.16 19.94 0.53 Allowed 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.605 -175.739 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 58' ' ' MET . . . . . . . . . . . . . 27.2 ptt? -73.28 -24.38 60.43 Favored 'General case' 0 C--N 1.326 -0.448 0 CA-C-O 121.199 0.523 . . . . 0.0 109.615 173.722 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 59' ' ' ASN . . . . . . . . . . . . . 4.5 m-20 -116.2 138.04 51.62 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 115.603 -0.726 . . . . 0.0 110.247 178.062 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -65.35 -24.08 67.16 Favored 'General case' 0 C--N 1.326 -0.442 0 CA-C-N 115.927 -0.579 . . . . 0.0 111.249 -177.832 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 33.1 mt-10 -45.59 -53.39 9.18 Favored 'General case' 0 N--CA 1.465 0.316 0 O-C-N 123.664 0.603 . . . . 0.0 111.318 177.911 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 62' ' ' HIS . . . . . . . . . . . . . 78.2 m-70 -82.57 -19.98 37.46 Favored 'General case' 0 C--N 1.325 -0.478 0 CA-C-N 115.376 -0.829 . . . . 0.0 110.626 -172.623 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 63' ' ' ARG . . . . . . . . . . . . . 4.5 tmm_? -76.8 -32.01 57.35 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 116.057 -0.52 . . . . 0.0 109.758 178.661 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 7.7 mtpm? -77.31 -27.01 52.79 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.445 -0.343 . . . . 0.0 110.303 175.756 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 65' ' ' LEU . . . . . 0.495 ' O ' ' HG3' ' A' ' 69' ' ' GLU . 18.9 mt -58.87 -46.25 88.23 Favored 'General case' 0 C--N 1.329 -0.286 0 N-CA-C 109.591 -0.522 . . . . 0.0 109.591 170.373 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 52.0 tp -56.98 -43.61 81.84 Favored 'General case' 0 C--O 1.224 -0.282 0 CA-C-N 115.533 -0.758 . . . . 0.0 110.207 176.652 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 34.0 tt0 -56.07 -54.15 48.44 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 115.962 -0.563 . . . . 0.0 111.106 177.185 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 68' ' ' GLN . . . . . . . . . . . . . 28.4 mt-30 -59.09 -48.18 82.54 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 115.997 -0.547 . . . . 0.0 111.233 -177.878 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 69' ' ' GLU . . . . . 0.495 ' HG3' ' O ' ' A' ' 65' ' ' LEU . 29.8 mt-10 -66.53 -39.16 88.45 Favored 'General case' 0 C--O 1.235 0.341 0 CA-C-O 120.774 0.321 . . . . 0.0 110.479 -178.795 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 70' ' ' MET . . . . . 0.454 ' HA ' ' HE1' ' A' ' 42' ' ' TRP . 50.1 tpp -58.31 -57.21 13.89 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 115.996 -0.547 . . . . 0.0 111.023 178.797 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 71' ' ' VAL . . . . . . . . . . . . . 60.0 t -62.49 -31.99 53.75 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 115.959 -0.564 . . . . 0.0 110.382 -178.586 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 72' ' ' SER . . . . . 0.426 ' O ' ' HG2' ' A' ' 76' ' ' GLU . 32.5 t -65.1 -65.9 0.61 Allowed 'General case' 0 C--N 1.322 -0.604 0 CA-C-N 116.129 -0.487 . . . . 0.0 111.05 -179.347 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 73' ' ' PHE . . . . . . . . . . . . . 51.7 t80 -64.89 -36.76 85.39 Favored 'General case' 0 C--N 1.323 -0.55 0 N-CA-C 111.985 0.365 . . . . 0.0 111.985 -171.996 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 74' ' ' LEU . . . . . . . . . . . . . 78.0 mt -85.66 -35.18 21.07 Favored 'General case' 0 C--N 1.325 -0.462 0 N-CA-C 112.592 0.59 . . . . 0.0 112.592 -173.833 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 75' ' ' PHE . . . . . . . . . . . . . 96.3 m-85 -118.18 -43.89 2.72 Favored 'General case' 0 C--N 1.328 -0.329 0 N-CA-C 112.351 0.501 . . . . 0.0 112.351 -175.198 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 76' ' ' GLU . . . . . 0.426 ' HG2' ' O ' ' A' ' 72' ' ' SER . 19.3 mm-40 62.6 18.83 10.84 Favored 'General case' 0 N--CA 1.463 0.183 0 CA-C-O 121.21 0.528 . . . . 0.0 111.029 -171.476 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . -92.39 37.01 3.48 Favored Glycine 0 N--CA 1.445 -0.727 0 C-N-CA 120.839 -0.696 . . . . 0.0 112.128 -179.433 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 78' ' ' LYS . . . . . 0.401 ' O ' ' HD2' ' A' ' 78' ' ' LYS . 0.0 OUTLIER -124.74 161.67 25.9 Favored 'General case' 0 C--N 1.322 -0.605 0 N-CA-C 110.295 -0.261 . . . . 0.0 110.295 178.281 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 79' ' ' ASP . . . . . . . . . . . . . 2.0 p-10 -111.6 3.57 18.03 Favored 'General case' 0 C--N 1.322 -0.615 0 N-CA-C 109.645 -0.502 . . . . 0.0 109.645 174.651 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 80' ' ' VAL . . . . . . . . . . . . . 45.7 t -78.79 113.1 17.63 Favored 'Isoleucine or valine' 0 N--CA 1.45 -0.453 0 CA-C-N 115.42 -0.809 . . . . 0.0 110.351 -179.592 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 81' ' ' HIS . . . . . . . . . . . . . 45.9 m80 -82.87 117.59 22.84 Favored 'General case' 0 C--N 1.323 -0.545 0 CA-C-N 116.071 -0.513 . . . . 0.0 109.783 176.556 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 82' ' ' ILE . . . . . 0.598 ' O ' ' HG3' ' A' ' 83' ' ' GLU . 42.4 mt -76.84 109.91 11.8 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.529 0 CA-C-N 116.049 -0.523 . . . . 0.0 110.847 -174.893 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 83' ' ' GLU . . . . . 0.598 ' HG3' ' O ' ' A' ' 82' ' ' ILE . 0.2 OUTLIER 50.49 21.51 0.87 Allowed 'General case' 0 N--CA 1.476 0.844 0 C-N-CA 124.485 1.114 . . . . 0.0 112.668 -179.887 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 84' ' ' GLY . . . . . . . . . . . . . . . -99.46 134.89 11.86 Favored Glycine 0 N--CA 1.446 -0.677 0 N-CA-C 111.476 -0.65 . . . . 0.0 111.476 177.237 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 85' ' ' TYR . . . . . . . . . . . . . 60.6 m-85 -66.45 122.21 17.03 Favored 'General case' 0 C--N 1.325 -0.475 0 CA-C-O 120.939 0.399 . . . . 0.0 111.081 -177.555 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 86' ' ' THR . . . . . . . . . . . . . 34.8 p -89.28 137.31 29.29 Favored Pre-proline 0 C--N 1.322 -0.598 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.727 -179.572 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 87' ' ' PRO . . . . . . . . . . . . . 39.2 Cg_endo -66.86 99.72 0.47 Allowed 'Trans proline' 0 C--O 1.234 0.312 0 C-N-CA 122.647 2.231 . . . . 0.0 111.709 177.599 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 88' ' ' GLU . . . . . . . . . . . . . 42.9 mt-10 -104.42 -71.78 0.73 Allowed 'General case' 0 C--N 1.325 -0.458 0 CA-C-N 116.112 -0.494 . . . . 0.0 111.0 -176.367 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 89' ' ' ASP . . . . . . . . . . . . . 14.5 t70 -75.17 -38.61 60.82 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-O 120.995 0.426 . . . . 0.0 110.07 -176.618 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 27.7 mtpp -91.35 124.76 35.78 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-N 115.912 -0.586 . . . . 0.0 110.19 176.915 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 91' ' ' LYS . . . . . . . . . . . . . 14.3 mptt . . . . . 0 C--O 1.25 1.084 0 CA-C-O 118.387 -0.816 . . . . 0.0 110.079 178.002 . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.481 1.121 0 CA-C-O 120.89 0.376 . . . . 0.0 110.545 . . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 10.8 t -90.91 -146.89 0.2 Allowed 'General case' 0 C--N 1.325 -0.486 0 CA-C-N 116.005 -0.543 . . . . 0.0 109.87 -179.793 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 3' ' ' ARG . . . . . . . . . . . . . 41.7 ttm180 -79.68 134.15 36.4 Favored 'General case' 0 C--N 1.326 -0.438 0 N-CA-C 109.598 -0.519 . . . . 0.0 109.598 177.462 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -87.83 105.63 17.54 Favored 'General case' 0 C--N 1.321 -0.664 0 CA-C-O 121.505 0.669 . . . . 0.0 111.32 -177.826 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 5' ' ' ILE . . . . . 0.451 ' H ' HG13 ' A' ' 5' ' ' ILE . 2.7 pp -106.34 151.59 8.28 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.699 0 CA-C-N 115.298 -0.865 . . . . 0.0 109.56 177.757 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 6' ' ' PHE . . . . . . . . . . . . . 70.7 m-85 -87.64 108.41 19.07 Favored 'General case' 0 C--N 1.316 -0.88 0 CA-C-O 121.147 0.498 . . . . 0.0 110.279 178.043 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 7' ' ' CYS . . . . . 0.418 ' HA ' ' O ' ' A' ' 33' ' ' GLU . 54.0 t -69.23 141.91 54.34 Favored 'General case' 0 C--N 1.324 -0.531 0 CA-C-N 115.255 -0.884 . . . . 0.0 111.092 -175.964 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 2.6 p -66.89 -47.06 72.99 Favored 'General case' 0 C--N 1.321 -0.635 0 CA-C-N 115.91 -0.586 . . . . 0.0 111.606 -179.364 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 9' ' ' TYR . . . . . . . . . . . . . 64.8 t80 -69.26 -44.1 72.6 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.43 -178.801 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 10' ' ' LEU . . . . . 0.41 ' O ' ' HB2' ' A' ' 11' ' ' GLN . 89.5 mt -80.19 -34.48 37.42 Favored 'General case' 0 C--N 1.325 -0.469 0 CA-C-N 116.494 -0.321 . . . . 0.0 111.527 -175.675 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 11' ' ' GLN . . . . . 0.41 ' HB2' ' O ' ' A' ' 10' ' ' LEU . 32.0 mm-40 67.16 13.69 9.51 Favored 'General case' 0 N--CA 1.47 0.543 0 CA-C-O 121.74 0.781 . . . . 0.0 109.568 -171.586 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 11.8 tpp180 -119.73 157.9 27.61 Favored 'General case' 0 C--N 1.322 -0.593 0 CA-C-N 114.763 -1.108 . . . . 0.0 109.215 -176.509 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 6.8 p-10 -65.9 132.48 48.75 Favored 'General case' 0 C--N 1.323 -0.549 0 CA-C-O 121.036 0.445 . . . . 0.0 109.905 174.507 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -141.88 175.58 9.6 Favored 'General case' 0 C--N 1.317 -0.832 0 CA-C-N 115.668 -0.696 . . . . 0.0 109.516 179.766 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 10.8 pt-20 -94.01 145.34 24.73 Favored 'General case' 0 C--N 1.317 -0.815 0 C-N-CA 120.667 -0.413 . . . . 0.0 110.32 -179.405 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . -59.44 131.39 51.26 Favored Glycine 0 N--CA 1.448 -0.501 0 N-CA-C 110.502 -1.039 . . . . 0.0 110.502 170.753 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 17' ' ' GLN . . . . . 0.404 HE21 ' HB3' ' A' ' 17' ' ' GLN . 22.4 mt-30 -60.84 -93.11 0.0 OUTLIER 'General case' 0 C--N 1.327 -0.385 0 N-CA-C 113.035 0.754 . . . . 0.0 113.035 -172.378 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 4.5 m-20 -143.33 -173.03 3.82 Favored 'General case' 0 C--N 1.323 -0.561 0 CA-C-N 115.943 -0.571 . . . . 0.0 111.048 -170.692 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 80.1 m-85 -101.45 179.74 4.27 Favored 'General case' 0 C--N 1.322 -0.606 0 CA-C-N 115.324 -0.853 . . . . 0.0 110.018 -179.291 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 0.9 OUTLIER -67.89 99.27 0.82 Allowed 'General case' 0 C--N 1.323 -0.566 0 CA-C-N 116.42 -0.355 . . . . 0.0 110.809 -179.839 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 21' ' ' LEU . . . . . 0.673 HD13 ' H ' ' A' ' 21' ' ' LEU . 0.0 OUTLIER -102.05 -14.7 17.02 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 116.006 -0.543 . . . . 0.0 110.505 175.592 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 22' ' ' TYR . . . . . 0.544 ' HB3' ' HD3' ' A' ' 23' ' ' PRO . 66.8 t80 -169.28 -51.65 0.0 OUTLIER Pre-proline 0 CA--C 1.534 0.356 0 CA-C-N 115.746 -0.661 . . . . 0.0 111.031 177.503 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 23' ' ' PRO . . . . . 0.544 ' HD3' ' HB3' ' A' ' 22' ' ' TYR . 13.9 Cg_exo -71.27 142.1 40.69 Favored 'Trans proline' 0 C--N 1.357 1.0 0 C-N-CA 121.82 1.68 . . . . 0.0 111.666 179.622 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -86.09 -138.79 5.04 Favored Glycine 0 N--CA 1.447 -0.595 0 C-N-CA 120.793 -0.718 . . . . 0.0 112.791 -175.248 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 10.9 pt-20 -62.84 -30.89 71.85 Favored 'General case' 0 C--N 1.327 -0.382 0 N-CA-C 111.706 0.262 . . . . 0.0 111.706 -176.132 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 53.3 tp -63.05 -49.13 75.76 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-O 120.919 0.39 . . . . 0.0 110.258 178.799 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . -67.06 -38.48 92.55 Favored Glycine 0 N--CA 1.448 -0.556 0 C-N-CA 120.797 -0.716 . . . . 0.0 111.752 178.695 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 57.4 tttp -57.59 -46.6 83.82 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-O 121.062 0.458 . . . . 0.0 110.524 178.065 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 16.0 ttp180 -56.42 -45.9 80.5 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 115.744 -0.662 . . . . 0.0 109.664 178.187 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 30' ' ' ILE . . . . . . . . . . . . . 75.7 mt -63.52 -33.36 61.01 Favored 'Isoleucine or valine' 0 C--O 1.224 -0.288 0 CA-C-N 115.584 -0.734 . . . . 0.0 111.332 179.945 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 31' ' ' TYR . . . . . . . . . . . . . 23.0 m-30 -68.27 -17.78 64.37 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-O 120.747 0.308 . . . . 0.0 110.974 178.552 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 32' ' ' ASN . . . . . . . . . . . . . 45.8 m-80 -90.51 -0.65 57.75 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-N 116.363 -0.381 . . . . 0.0 111.333 174.023 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 33' ' ' GLU . . . . . 0.418 ' O ' ' HA ' ' A' ' 7' ' ' CYS . 27.2 mt-10 -122.07 -35.0 3.23 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-O 121.204 0.526 . . . . 0.0 111.314 -177.089 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 34' ' ' ILE . . . . . . . . . . . . . 30.1 mm -115.07 148.39 17.83 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.835 0 CA-C-N 115.961 -0.563 . . . . 0.0 110.038 -177.934 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 8.6 t -108.12 173.35 6.36 Favored 'General case' 0 N--CA 1.445 -0.686 0 CA-C-O 120.906 0.384 . . . . 0.0 110.107 175.647 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 84.0 mttt -55.84 -35.47 66.45 Favored 'General case' 0 C--N 1.323 -0.546 0 CA-C-N 115.252 -0.886 . . . . 0.0 112.856 -172.141 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 37' ' ' ASP . . . . . 0.522 ' O ' ' HG2' ' A' ' 41' ' ' GLN . 14.9 t70 -66.21 -59.93 3.28 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-O 120.674 0.273 . . . . 0.0 110.638 -177.809 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -60.58 -37.12 80.31 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.021 -0.536 . . . . 0.0 110.937 -179.366 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 39' ' ' TRP . . . . . 0.569 ' O ' ' HG3' ' A' ' 43' ' ' GLN . 72.8 t-105 -60.0 -53.26 59.89 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-N 115.793 -0.639 . . . . 0.0 110.47 178.068 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -64.57 -39.31 93.51 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-N 116.079 -0.51 . . . . 0.0 111.382 -178.923 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 41' ' ' GLN . . . . . 0.522 ' HG2' ' O ' ' A' ' 37' ' ' ASP . 25.9 mm-40 -67.13 -41.58 85.9 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.369 -0.378 . . . . 0.0 111.168 -177.842 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 42' ' ' TRP . . . . . 0.481 ' HE1' ' HA ' ' A' ' 70' ' ' MET . 35.0 t-105 -68.07 -40.86 82.62 Favored 'General case' 0 C--N 1.327 -0.395 0 C-N-CA 120.736 -0.385 . . . . 0.0 110.926 -178.84 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 43' ' ' GLN . . . . . 0.569 ' HG3' ' O ' ' A' ' 39' ' ' TRP . 38.7 mt-30 -63.49 -42.03 98.54 Favored 'General case' 0 C--N 1.328 -0.358 0 C-N-CA 120.723 -0.391 . . . . 0.0 109.996 178.354 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 44' ' ' HIS . . . . . . . . . . . . . 28.7 t-80 -56.5 -50.47 71.71 Favored 'General case' 0 C--N 1.326 -0.456 0 CA-C-N 115.733 -0.667 . . . . 0.0 110.277 177.975 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 45' ' ' LYS . . . . . 0.517 ' O ' ' HG ' ' A' ' 49' ' ' LEU . 57.8 tptt -63.66 -52.79 59.17 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-N 115.484 -0.78 . . . . 0.0 111.142 179.646 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 46' ' ' GLN . . . . . 0.584 ' O ' HG13 ' A' ' 50' ' ' ILE . 57.5 tp60 -59.96 -41.8 92.69 Favored 'General case' 0 C--N 1.325 -0.465 0 CA-C-N 115.983 -0.553 . . . . 0.0 111.498 -176.186 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 44.5 m -63.42 -38.56 91.61 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 120.746 0.308 . . . . 0.0 111.065 179.867 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 48' ' ' MET . . . . . . . . . . . . . 53.2 tpp -64.95 -37.73 88.62 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 121.229 0.538 . . . . 0.0 109.724 176.41 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 49' ' ' LEU . . . . . 0.517 ' HG ' ' O ' ' A' ' 45' ' ' LYS . 88.0 mt -68.6 -33.37 73.93 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 115.732 -0.667 . . . . 0.0 110.605 178.3 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 50' ' ' ILE . . . . . 0.584 HG13 ' O ' ' A' ' 46' ' ' GLN . 88.0 mt -62.79 -34.73 67.4 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 CA-C-O 120.93 0.395 . . . . 0.0 110.58 177.06 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 51' ' ' ASN . . . . . . . . . . . . . 90.7 m-20 -64.5 -39.43 93.77 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 115.979 -0.555 . . . . 0.0 110.49 177.867 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 5.9 mm-40 -82.9 -38.61 22.65 Favored 'General case' 0 C--N 1.325 -0.461 0 CA-C-N 115.54 -0.755 . . . . 0.0 111.686 -176.892 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 94.2 mttt -74.86 -25.69 59.15 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-N 116.623 -0.262 . . . . 0.0 110.664 179.051 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 38.1 mtmt 58.16 38.65 26.39 Favored 'General case' 0 C--O 1.234 0.249 0 CA-C-O 121.609 0.719 . . . . 0.0 110.334 -179.078 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 55' ' ' LEU . . . . . 0.401 ' HB2' ' HB3' ' A' ' 62' ' ' HIS . 4.6 pp -85.01 141.28 30.42 Favored 'General case' 0 N--CA 1.448 -0.528 0 CA-C-N 115.072 -0.967 . . . . 0.0 110.082 -179.783 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 56' ' ' ASN . . . . . . . . . . . . . 51.0 m-80 -117.48 146.33 43.58 Favored 'General case' 0 C--N 1.32 -0.687 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.183 178.052 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 57' ' ' MET . . . . . . . . . . . . . 1.7 mpt? -77.5 -8.32 57.61 Favored 'General case' 0 C--N 1.325 -0.477 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.447 -179.026 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 58' ' ' MET . . . . . . . . . . . . . 65.9 mtm -66.49 -28.74 68.81 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-N 115.78 -0.645 . . . . 0.0 109.766 173.388 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 59' ' ' ASN . . . . . . . . . . . . . 16.6 m120 -86.18 118.57 25.72 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-N 115.547 -0.752 . . . . 0.0 110.128 178.971 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 60' ' ' ALA . . . . . 0.427 ' O ' ' HG2' ' A' ' 64' ' ' LYS . . . -54.17 -37.15 64.13 Favored 'General case' 0 C--N 1.329 -0.308 0 O-C-N 123.386 0.429 . . . . 0.0 110.759 178.771 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 61' ' ' GLU . . . . . 0.494 ' O ' ' HB2' ' A' ' 65' ' ' LEU . 34.0 tt0 -56.37 -48.18 77.36 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 115.382 -0.826 . . . . 0.0 111.808 178.072 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 62' ' ' HIS . . . . . 0.401 ' HB3' ' HB2' ' A' ' 55' ' ' LEU . 92.7 m-70 -82.45 -33.05 28.67 Favored 'General case' 0 C--N 1.325 -0.464 0 N-CA-C 112.41 0.522 . . . . 0.0 112.41 -169.332 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 63' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -64.3 -45.14 89.26 Favored 'General case' 0 C--N 1.328 -0.349 0 C-N-CA 120.457 -0.497 . . . . 0.0 111.063 179.687 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 64' ' ' LYS . . . . . 0.506 ' O ' ' HG3' ' A' ' 68' ' ' GLN . 64.4 pttt -74.41 -28.14 60.94 Favored 'General case' 0 C--N 1.329 -0.294 0 C-N-CA 120.7 -0.4 . . . . 0.0 110.206 178.97 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 65' ' ' LEU . . . . . 0.494 ' HB2' ' O ' ' A' ' 61' ' ' GLU . 0.9 OUTLIER -63.29 -45.49 91.16 Favored 'General case' 0 C--N 1.331 -0.232 0 N-CA-C 108.954 -0.758 . . . . 0.0 108.954 176.786 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 8.1 tt -62.43 -40.01 95.17 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 115.677 -0.692 . . . . 0.0 109.858 177.581 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 30.8 tt0 -57.67 -47.94 80.89 Favored 'General case' 0 C--O 1.233 0.234 0 CA-C-N 115.862 -0.608 . . . . 0.0 109.916 175.487 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 68' ' ' GLN . . . . . 0.506 ' HG3' ' O ' ' A' ' 64' ' ' LYS . 27.7 mt-30 -58.73 -45.03 90.53 Favored 'General case' 0 N--CA 1.453 -0.323 0 CA-C-N 115.696 -0.684 . . . . 0.0 110.774 177.789 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 16.8 mt-10 -58.6 -46.88 86.07 Favored 'General case' 0 N--CA 1.463 0.191 0 CA-C-O 120.716 0.293 . . . . 0.0 110.855 179.109 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 70' ' ' MET . . . . . 0.481 ' HA ' ' HE1' ' A' ' 42' ' ' TRP . 38.2 mtt -59.28 -52.69 64.57 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.429 -0.35 . . . . 0.0 111.166 178.877 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 71' ' ' VAL . . . . . 0.446 ' O ' ' HB3' ' A' ' 75' ' ' PHE . 61.6 t -68.93 -21.12 25.36 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.509 0 CA-C-N 116.524 -0.307 . . . . 0.0 111.602 -175.964 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 72' ' ' SER . . . . . 0.433 ' O ' ' HA ' ' A' ' 76' ' ' GLU . 42.4 m -86.34 -19.29 30.01 Favored 'General case' 0 C--N 1.324 -0.527 0 O-C-N 121.875 -0.516 . . . . 0.0 111.422 179.288 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 73' ' ' PHE . . . . . . . . . . . . . 54.7 t80 -100.26 -51.6 3.61 Favored 'General case' 0 C--N 1.325 -0.494 0 CA-C-O 121.029 0.442 . . . . 0.0 110.58 178.521 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 74' ' ' LEU . . . . . . . . . . . . . 94.9 mt -73.94 -31.7 63.17 Favored 'General case' 0 C--N 1.327 -0.413 0 CA-C-N 115.896 -0.593 . . . . 0.0 111.414 -175.917 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 75' ' ' PHE . . . . . 0.535 ' O ' ' HG2' ' A' ' 76' ' ' GLU . 68.0 t80 -112.52 -43.35 3.5 Favored 'General case' 0 C--N 1.326 -0.414 0 N-CA-C 110.268 -0.271 . . . . 0.0 110.268 -178.599 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 76' ' ' GLU . . . . . 0.535 ' HG2' ' O ' ' A' ' 75' ' ' PHE . 2.6 pt-20 73.11 -28.48 0.19 Allowed 'General case' 0 N--CA 1.477 0.908 0 C-N-CA 124.945 1.298 . . . . 0.0 112.815 173.262 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . -90.14 49.74 3.3 Favored Glycine 0 N--CA 1.447 -0.619 0 C-N-CA 120.711 -0.756 . . . . 0.0 113.319 -176.79 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 78' ' ' LYS . . . . . 0.438 ' HE2' ' HB ' ' A' ' 71' ' ' VAL . 0.0 OUTLIER -118.32 145.58 44.99 Favored 'General case' 0 C--N 1.327 -0.393 0 N-CA-C 109.565 -0.532 . . . . 0.0 109.565 176.263 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 79' ' ' ASP . . . . . . . . . . . . . 16.9 p-10 -96.04 -10.35 28.68 Favored 'General case' 0 C--N 1.324 -0.516 0 N-CA-C 112.111 0.412 . . . . 0.0 112.111 -172.279 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 80' ' ' VAL . . . . . . . . . . . . . 60.7 t -68.25 108.93 1.57 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.433 0 N-CA-C 109.729 -0.471 . . . . 0.0 109.729 176.332 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 81' ' ' HIS . . . . . . . . . . . . . 50.3 m80 -77.29 138.06 39.16 Favored 'General case' 0 C--N 1.323 -0.548 0 CA-C-N 115.853 -0.612 . . . . 0.0 111.378 -173.399 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 82' ' ' ILE . . . . . 0.505 HG12 HE21 ' A' ' 68' ' ' GLN . 25.6 mt -95.53 89.83 2.42 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.536 0 CA-C-N 116.017 -0.538 . . . . 0.0 110.37 -179.821 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 9.4 pt-20 -140.08 -39.02 0.45 Allowed 'General case' 0 C--N 1.324 -0.531 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.758 178.924 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 84' ' ' GLY . . . . . . . . . . . . . . . 135.93 133.93 3.28 Favored Glycine 0 N--CA 1.448 -0.502 0 C-N-CA 120.251 -0.976 . . . . 0.0 112.881 175.172 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 85' ' ' TYR . . . . . . . . . . . . . 15.3 t80 56.3 91.77 0.03 OUTLIER 'General case' 0 N--CA 1.464 0.254 0 C-N-CA 123.41 0.684 . . . . 0.0 111.502 178.423 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 86' ' ' THR . . . . . . . . . . . . . 27.6 m -134.79 94.34 16.77 Favored Pre-proline 0 C--N 1.324 -0.51 0 CA-C-O 121.106 0.479 . . . . 0.0 111.266 -179.927 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 87' ' ' PRO . . . . . . . . . . . . . 55.2 Cg_endo -97.4 104.33 0.08 OUTLIER 'Trans proline' 0 N--CA 1.451 -1.009 0 C-N-CA 123.52 2.813 . . . . 0.0 111.534 173.673 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 88' ' ' GLU . . . . . . . . . . . . . 35.1 tt0 -87.35 121.85 30.34 Favored 'General case' 0 C--N 1.324 -0.537 0 CA-C-O 120.847 0.356 . . . . 0.0 110.474 -178.015 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 89' ' ' ASP . . . . . . . . . . . . . 18.4 t70 -132.69 131.28 41.11 Favored 'General case' 0 C--N 1.324 -0.518 0 CA-C-N 115.892 -0.594 . . . . 0.0 110.241 179.304 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 79.2 mttt -131.95 20.03 4.55 Favored 'General case' 0 C--N 1.325 -0.486 0 CA-C-N 116.327 -0.397 . . . . 0.0 111.426 -176.079 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 91' ' ' LYS . . . . . . . . . . . . . 49.4 mttp . . . . . 0 C--O 1.246 0.898 0 CA-C-O 118.961 -0.542 . . . . 0.0 110.464 175.75 . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 27.2 ptt? . . . . . 0 N--CA 1.482 1.165 0 N-CA-C 110.04 -0.356 . . . . 0.0 110.04 . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 11.9 t 59.89 -157.16 0.33 Allowed 'General case' 0 C--O 1.236 0.386 0 CA-C-O 120.995 0.426 . . . . 0.0 110.903 179.071 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 3' ' ' ARG . . . . . 0.415 HH11 ' HD2' ' A' ' 3' ' ' ARG . 0.0 OUTLIER -133.98 135.75 43.68 Favored 'General case' 0 C--N 1.321 -0.648 0 N-CA-C 109.907 -0.405 . . . . 0.0 109.907 178.844 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 16.9 p -99.78 139.26 35.7 Favored 'General case' 0 C--N 1.321 -0.654 0 CA-C-O 121.071 0.462 . . . . 0.0 111.361 179.922 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 5' ' ' ILE . . . . . . . . . . . . . 43.6 pt -129.31 157.27 42.11 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.576 0 CA-C-N 115.914 -0.585 . . . . 0.0 110.245 -179.474 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 6' ' ' PHE . . . . . . . . . . . . . 88.7 m-85 -85.23 94.56 8.93 Favored 'General case' 0 C--N 1.321 -0.658 0 N-CA-C 109.522 -0.547 . . . . 0.0 109.522 173.293 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 7' ' ' CYS . . . . . 0.569 ' HA ' ' O ' ' A' ' 33' ' ' GLU . 42.1 t -68.59 123.93 22.22 Favored 'General case' 0 C--N 1.322 -0.59 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.215 -178.04 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 5.4 p -55.53 -44.28 76.55 Favored 'General case' 0 C--N 1.325 -0.499 0 CA-C-N 116.029 -0.532 . . . . 0.0 111.948 -178.022 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 9' ' ' TYR . . . . . . . . . . . . . 74.3 t80 -71.81 -31.79 66.93 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-N 115.942 -0.572 . . . . 0.0 111.577 -175.877 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 91.5 mt -94.34 -26.87 16.38 Favored 'General case' 0 C--N 1.328 -0.363 0 C-N-CA 121.002 -0.279 . . . . 0.0 111.533 -175.982 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 28.7 mm-40 66.77 16.99 10.51 Favored 'General case' 0 N--CA 1.466 0.373 0 C-N-CA 123.115 0.566 . . . . 0.0 111.659 179.79 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 59.4 mtp180 -139.5 -179.24 5.79 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.724 -0.216 . . . . 0.0 110.6 -179.8 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 7.9 m-20 -68.11 116.52 8.82 Favored 'General case' 0 C--O 1.233 0.197 0 CA-C-N 115.934 -0.575 . . . . 0.0 110.753 178.176 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -123.72 179.55 4.75 Favored 'General case' 0 C--N 1.317 -0.828 0 N-CA-C 109.127 -0.694 . . . . 0.0 109.127 175.709 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 13.1 pt-20 -96.27 140.51 30.85 Favored 'General case' 0 C--N 1.32 -0.713 0 C-N-CA 120.198 -0.601 . . . . 0.0 110.209 179.366 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . -63.8 142.13 46.19 Favored Glycine 0 N--CA 1.446 -0.695 0 C-N-CA 120.877 -0.678 . . . . 0.0 111.751 179.296 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 17' ' ' GLN . . . . . . . . . . . . . 0.6 OUTLIER -70.24 -167.89 0.19 Allowed 'General case' 0 C--N 1.325 -0.475 0 CA-C-O 121.22 0.534 . . . . 0.0 111.657 -179.114 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 1.1 t70 -76.57 -168.78 1.06 Allowed 'General case' 0 C--N 1.321 -0.645 0 CA-C-N 115.556 -0.747 . . . . 0.0 111.391 -174.35 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 99.0 m-85 -95.96 -177.05 3.89 Favored 'General case' 0 C--N 1.32 -0.676 0 CA-C-N 115.792 -0.64 . . . . 0.0 110.288 -179.254 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 8.8 mm100 -79.05 88.12 4.81 Favored 'General case' 0 C--N 1.324 -0.5 0 CA-C-O 121.223 0.535 . . . . 0.0 110.653 -177.556 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -85.27 -18.94 32.43 Favored 'General case' 0 C--N 1.323 -0.581 0 CA-C-N 115.424 -0.807 . . . . 0.0 111.235 178.338 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 22' ' ' TYR . . . . . 0.496 ' HB3' ' HD3' ' A' ' 23' ' ' PRO . 87.3 t80 -154.51 -53.08 0.02 OUTLIER Pre-proline 0 CA--C 1.537 0.48 0 N-CA-C 112.267 0.469 . . . . 0.0 112.267 -179.695 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 23' ' ' PRO . . . . . 0.497 ' HB2' ' HA3' ' A' ' 27' ' ' GLY . 12.2 Cg_exo -72.21 162.59 41.22 Favored 'Trans proline' 0 C--N 1.354 0.843 0 C-N-CA 122.02 1.813 . . . . 0.0 112.477 -176.54 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -101.52 -133.24 8.03 Favored Glycine 0 N--CA 1.446 -0.678 0 C-N-CA 120.696 -0.764 . . . . 0.0 112.277 -179.469 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 8.0 mp0 -59.48 -45.79 90.63 Favored 'General case' 0 C--N 1.327 -0.397 0 C-N-CA 122.698 0.399 . . . . 0.0 111.544 -175.79 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 60.2 tp -63.18 -46.42 87.19 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-N 115.982 -0.554 . . . . 0.0 110.951 -177.479 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 27' ' ' GLY . . . . . 0.497 ' HA3' ' HB2' ' A' ' 23' ' ' PRO . . . -67.12 -34.13 85.39 Favored Glycine 0 N--CA 1.45 -0.41 0 C-N-CA 120.616 -0.802 . . . . 0.0 111.792 -179.864 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 38.7 ttpt -62.14 -43.1 99.57 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-O 120.881 0.372 . . . . 0.0 110.022 177.198 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 19.5 ttp180 -55.09 -45.51 75.44 Favored 'General case' 0 C--N 1.333 -0.143 0 CA-C-N 115.866 -0.606 . . . . 0.0 109.866 178.328 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 30' ' ' ILE . . . . . . . . . . . . . 45.4 mt -61.15 -39.57 82.86 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.249 0 CA-C-N 115.842 -0.617 . . . . 0.0 110.751 179.013 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 31' ' ' TYR . . . . . . . . . . . . . 21.7 m-85 -74.8 -8.82 57.6 Favored 'General case' 0 C--N 1.325 -0.459 0 CA-C-O 120.76 0.314 . . . . 0.0 111.323 -179.95 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 32' ' ' ASN . . . . . . . . . . . . . 1.0 OUTLIER -94.48 -24.31 17.35 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.366 -0.379 . . . . 0.0 110.831 176.074 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 33' ' ' GLU . . . . . 0.569 ' O ' ' HA ' ' A' ' 7' ' ' CYS . 41.1 mt-10 -106.22 -24.89 12.19 Favored 'General case' 0 C--N 1.325 -0.491 0 CA-C-O 121.074 0.464 . . . . 0.0 111.477 -176.252 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 34' ' ' ILE . . . . . . . . . . . . . 22.6 mm -114.39 128.97 71.19 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.618 0 CA-C-O 121.256 0.55 . . . . 0.0 111.823 -176.117 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 35.5 t -78.77 167.09 21.7 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-N 115.304 -0.862 . . . . 0.0 110.273 176.979 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 83.1 mttt -60.22 -32.05 70.76 Favored 'General case' 0 C--N 1.322 -0.598 0 CA-C-N 115.654 -0.703 . . . . 0.0 109.972 178.136 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 6.5 m-20 -58.92 -61.74 2.41 Favored 'General case' 0 N--CA 1.463 0.183 0 CA-C-N 115.534 -0.757 . . . . 0.0 110.837 179.197 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -64.22 -37.25 86.81 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 115.661 -0.699 . . . . 0.0 110.951 -177.967 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 39' ' ' TRP . . . . . . . . . . . . . 67.4 t-105 -63.48 -45.9 88.62 Favored 'General case' 0 C--N 1.326 -0.439 0 CA-C-N 116.053 -0.522 . . . . 0.0 110.563 -179.29 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -71.11 -39.86 71.8 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-N 116.402 -0.363 . . . . 0.0 110.756 -179.928 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 1.0 OUTLIER -63.07 -44.77 94.87 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-N 115.967 -0.561 . . . . 0.0 110.768 -178.213 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 42' ' ' TRP . . . . . . . . . . . . . 18.9 t-105 -64.9 -43.31 93.26 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.615 -0.266 . . . . 0.0 110.899 -179.132 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 43' ' ' GLN . . . . . . . . . . . . . 48.1 mt-30 -63.44 -41.81 98.66 Favored 'General case' 0 C--N 1.329 -0.3 0 C-N-CA 121.134 -0.227 . . . . 0.0 110.583 178.977 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 44' ' ' HIS . . . . . . . . . . . . . 20.2 t60 -60.58 -46.25 90.94 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.101 178.226 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -64.86 -48.05 75.71 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-N 115.987 -0.551 . . . . 0.0 110.763 179.621 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 46' ' ' GLN . . . . . 0.575 ' O ' HG13 ' A' ' 50' ' ' ILE . 53.1 tp60 -62.8 -41.43 99.27 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 116.074 -0.512 . . . . 0.0 111.211 -177.679 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 75.0 m -59.45 -40.74 87.83 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 120.677 0.275 . . . . 0.0 110.587 178.203 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 48' ' ' MET . . . . . . . . . . . . . 15.8 tpt -58.94 -46.53 87.76 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.088 175.718 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 10.6 mp -63.95 -36.99 85.78 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 115.839 -0.619 . . . . 0.0 111.067 179.352 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 50' ' ' ILE . . . . . 0.575 HG13 ' O ' ' A' ' 46' ' ' GLN . 79.0 mt -60.93 -36.12 69.72 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.241 0 CA-C-O 120.73 0.3 . . . . 0.0 110.21 177.52 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 51' ' ' ASN . . . . . . . . . . . . . 87.3 m-20 -69.89 -50.93 37.53 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.003 -0.544 . . . . 0.0 110.567 177.747 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 42.5 mt-10 -61.25 -45.58 93.94 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 115.646 -0.706 . . . . 0.0 111.359 -177.419 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 94.0 mttt -82.48 -17.6 44.62 Favored 'General case' 0 C--N 1.325 -0.47 0 CA-C-N 116.081 -0.509 . . . . 0.0 110.836 -177.333 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 26.4 tptp 54.9 59.38 4.1 Favored 'General case' 0 CA--C 1.531 0.244 0 CA-C-O 121.615 0.721 . . . . 0.0 110.219 -178.019 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 84.1 mt -75.71 141.0 42.76 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-N 115.409 -0.814 . . . . 0.0 111.779 -174.051 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 56' ' ' ASN . . . . . . . . . . . . . 23.7 t-20 -99.94 114.4 27.63 Favored 'General case' 0 C--N 1.325 -0.493 0 CA-C-N 115.69 -0.686 . . . . 0.0 110.041 176.549 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 57' ' ' MET . . . . . . . . . . . . . 22.8 mmt -92.63 41.49 1.08 Allowed 'General case' 0 C--N 1.321 -0.659 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.777 -173.577 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 58' ' ' MET . . . . . . . . . . . . . 79.7 mtp -97.96 -39.47 8.95 Favored 'General case' 0 C--N 1.326 -0.455 0 CA-C-O 120.903 0.382 . . . . 0.0 110.245 172.738 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 59' ' ' ASN . . . . . . . . . . . . . 75.9 m-20 -88.16 154.84 20.13 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.779 -177.121 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -75.75 -7.88 55.47 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.278 -0.419 . . . . 0.0 111.127 179.548 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 37.9 mt-10 -54.11 -53.58 51.27 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 115.717 -0.674 . . . . 0.0 110.838 178.837 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 62' ' ' HIS . . . . . . . . . . . . . 95.7 m-70 -79.33 -19.09 51.2 Favored 'General case' 0 C--N 1.326 -0.456 0 CA-C-N 115.747 -0.66 . . . . 0.0 110.455 -177.91 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 63' ' ' ARG . . . . . . . . . . . . . 23.9 tpp180 -66.62 -51.91 51.06 Favored 'General case' 0 C--O 1.235 0.314 0 CA-C-N 116.069 -0.514 . . . . 0.0 110.179 179.104 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 52.3 pttt -69.23 -31.04 69.35 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.055 178.535 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 57.9 tp -57.45 -56.23 24.49 Favored 'General case' 0 N--CA 1.457 -0.119 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.732 178.425 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 10.2 mp -59.98 -33.21 71.65 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 115.988 -0.551 . . . . 0.0 110.986 179.526 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 32.7 tt0 -63.67 -52.33 61.18 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-O 121.026 0.441 . . . . 0.0 110.342 176.908 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 68' ' ' GLN . . . . . 0.604 ' NE2' ' HA ' ' A' ' 82' ' ' ILE . 56.1 mt-30 -61.87 -45.8 92.19 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-N 116.055 -0.52 . . . . 0.0 111.367 -179.975 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 20.7 mt-10 -68.23 -29.33 68.13 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.6 0.238 . . . . 0.0 110.97 -179.287 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 70' ' ' MET . . . . . . . . . . . . . 47.3 ttm -64.52 -51.76 61.25 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 116.483 -0.326 . . . . 0.0 110.243 176.679 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 71' ' ' VAL . . . . . 0.444 HG12 ' HB3' ' A' ' 78' ' ' LYS . 58.5 t -63.2 -36.52 76.31 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.375 0 CA-C-N 116.13 -0.487 . . . . 0.0 110.48 -179.943 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 34.8 m -66.42 -53.13 39.17 Favored 'General case' 0 C--N 1.325 -0.474 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.953 178.834 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 73' ' ' PHE . . . . . . . . . . . . . 59.0 t80 -70.51 -47.53 59.99 Favored 'General case' 0 C--N 1.325 -0.478 0 CA-C-N 116.486 -0.324 . . . . 0.0 111.616 -174.303 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 74' ' ' LEU . . . . . . . . . . . . . 70.3 mt -81.93 -33.4 30.39 Favored 'General case' 0 C--N 1.324 -0.54 0 N-CA-C 112.804 0.668 . . . . 0.0 112.804 -172.036 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 75' ' ' PHE . . . . . . . . . . . . . 29.3 m-85 -108.85 -30.12 8.3 Favored 'General case' 0 C--N 1.327 -0.38 0 N-CA-C 112.619 0.6 . . . . 0.0 112.619 -174.443 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 6.6 mm-40 64.06 13.07 7.46 Favored 'General case' 0 N--CA 1.469 0.519 0 CA-C-O 120.883 0.373 . . . . 0.0 111.236 -178.513 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . -132.29 71.43 0.5 Allowed Glycine 0 N--CA 1.449 -0.498 0 C-N-CA 120.797 -0.716 . . . . 0.0 112.319 -176.618 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 78' ' ' LYS . . . . . 0.533 ' HD2' ' O ' ' A' ' 78' ' ' LYS . 0.1 OUTLIER -124.52 152.71 43.1 Favored 'General case' 0 C--N 1.324 -0.503 0 CA-C-O 120.832 0.349 . . . . 0.0 110.962 -179.584 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 79' ' ' ASP . . . . . . . . . . . . . 10.6 m-20 -115.35 -11.69 11.86 Favored 'General case' 0 C--N 1.324 -0.537 0 CA-C-N 116.043 -0.526 . . . . 0.0 110.789 178.587 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 80' ' ' VAL . . . . . . . . . . . . . 13.4 t -78.25 113.61 17.73 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.409 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.132 -179.558 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 81' ' ' HIS . . . . . . . . . . . . . 58.0 t-80 -65.9 122.92 18.45 Favored 'General case' 0 C--N 1.326 -0.439 0 N-CA-C 109.686 -0.487 . . . . 0.0 109.686 178.466 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 82' ' ' ILE . . . . . 0.604 ' HA ' ' NE2' ' A' ' 68' ' ' GLN . 10.0 mt -69.17 107.73 1.56 Allowed 'Isoleucine or valine' 0 C--N 1.322 -0.618 0 N-CA-C 110.013 -0.365 . . . . 0.0 110.013 -178.333 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 5.8 mm-40 62.34 92.08 0.06 Allowed 'General case' 0 C--O 1.231 0.102 0 CA-C-N 115.315 -0.857 . . . . 0.0 110.958 -171.491 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 84' ' ' GLY . . . . . . . . . . . . . . . 169.23 -132.93 2.68 Favored Glycine 0 N--CA 1.446 -0.69 0 CA-C-N 115.134 -0.939 . . . . 0.0 111.632 178.75 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 85' ' ' TYR . . . . . . . . . . . . . 28.1 t80 -67.2 125.35 25.78 Favored 'General case' 0 C--N 1.326 -0.445 0 N-CA-C 109.766 -0.457 . . . . 0.0 109.766 179.105 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 86' ' ' THR . . . . . . . . . . . . . 10.1 t -116.82 146.7 38.37 Favored Pre-proline 0 C--N 1.323 -0.557 0 CA-C-N 116.286 -0.415 . . . . 0.0 111.159 -174.727 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 87' ' ' PRO . . . . . . . . . . . . . 7.5 Cg_exo -73.6 -169.89 0.6 Allowed 'Trans proline' 0 C--N 1.346 0.415 0 C-N-CA 122.676 2.251 . . . . 0.0 111.109 170.924 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 88' ' ' GLU . . . . . . . . . . . . . 20.7 mm-40 65.15 22.33 12.24 Favored 'General case' 0 N--CA 1.468 0.464 0 CA-C-O 121.325 0.583 . . . . 0.0 110.264 -179.844 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 89' ' ' ASP . . . . . . . . . . . . . 22.4 t70 -89.45 -48.57 7.24 Favored 'General case' 0 C--N 1.326 -0.444 0 CA-C-N 115.806 -0.633 . . . . 0.0 111.788 -173.982 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 18.0 ptpt -96.85 21.16 9.95 Favored 'General case' 0 C--N 1.326 -0.446 0 CA-C-O 120.88 0.372 . . . . 0.0 111.283 -176.793 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 91' ' ' LYS . . . . . . . . . . . . . 51.9 pttt . . . . . 0 C--O 1.247 0.952 0 CA-C-N 116.005 -0.543 . . . . 0.0 109.955 176.17 . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 16.5 tpt . . . . . 0 N--CA 1.48 1.044 0 N-CA-C 110.132 -0.322 . . . . 0.0 110.132 . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 46.9 p -82.7 72.74 9.77 Favored 'General case' 0 C--N 1.325 -0.472 0 CA-C-O 121.169 0.509 . . . . 0.0 111.288 -175.997 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 3' ' ' ARG . . . . . . . . . . . . . 43.2 ttm180 -143.24 105.46 4.41 Favored 'General case' 0 C--N 1.325 -0.471 0 CA-C-N 115.788 -0.642 . . . . 0.0 109.27 174.778 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 5.3 m -80.37 104.69 11.09 Favored 'General case' 0 C--N 1.323 -0.549 0 CA-C-N 115.993 -0.549 . . . . 0.0 111.668 -174.019 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 5' ' ' ILE . . . . . . . . . . . . . 2.8 pp -120.63 159.08 22.56 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.642 0 CA-C-N 116.109 -0.496 . . . . 0.0 109.853 175.472 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 6' ' ' PHE . . . . . . . . . . . . . 96.5 m-85 -98.53 100.93 12.22 Favored 'General case' 0 C--N 1.318 -0.772 0 N-CA-C 109.701 -0.481 . . . . 0.0 109.701 177.302 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 7' ' ' CYS . . . . . 0.711 ' SG ' ' HB2' ' A' ' 10' ' ' LEU . 4.3 p -73.19 136.34 44.7 Favored 'General case' 0 C--N 1.324 -0.54 0 CA-C-N 115.592 -0.731 . . . . 0.0 111.116 -176.206 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 9.5 p -61.52 -35.82 78.81 Favored 'General case' 0 C--N 1.323 -0.549 0 CA-C-N 115.763 -0.653 . . . . 0.0 112.191 -176.368 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 9' ' ' TYR . . . . . . . . . . . . . 71.8 t80 -71.8 -44.36 64.07 Favored 'General case' 0 C--N 1.328 -0.359 0 N-CA-C 111.826 0.306 . . . . 0.0 111.826 -176.145 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 10' ' ' LEU . . . . . 0.711 ' HB2' ' SG ' ' A' ' 7' ' ' CYS . 7.0 mp -88.71 -26.27 21.89 Favored 'General case' 0 N--CA 1.465 0.28 0 C-N-CA 121.059 -0.256 . . . . 0.0 111.313 -176.525 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 29.0 mm-40 68.07 16.77 9.5 Favored 'General case' 0 N--CA 1.465 0.324 0 CA-C-O 121.212 0.529 . . . . 0.0 110.961 -179.268 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 97.5 mtt180 -125.58 172.91 9.33 Favored 'General case' 0 C--N 1.323 -0.549 0 CA-C-N 115.91 -0.586 . . . . 0.0 109.487 179.82 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 4.1 p-10 -78.22 128.92 34.45 Favored 'General case' 0 C--N 1.319 -0.755 0 CA-C-O 121.201 0.524 . . . . 0.0 109.761 175.406 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -148.74 -179.83 7.28 Favored 'General case' 0 C--N 1.315 -0.923 0 CA-C-N 115.582 -0.735 . . . . 0.0 109.81 -178.344 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 17.3 pt-20 -85.75 145.51 27.22 Favored 'General case' 0 C--N 1.316 -0.85 0 CA-C-N 116.525 -0.307 . . . . 0.0 110.5 -177.05 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . -66.6 167.59 37.02 Favored Glycine 0 N--CA 1.448 -0.516 0 C-N-CA 120.777 -0.725 . . . . 0.0 111.609 174.089 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 17' ' ' GLN . . . . . 0.52 ' HA ' ' HG3' ' A' ' 36' ' ' LYS . 30.9 mt-30 -75.49 -111.16 0.01 OUTLIER 'General case' 0 C--N 1.323 -0.582 0 N-CA-C 112.42 0.526 . . . . 0.0 112.42 -177.78 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 3.9 m-20 -136.69 -164.78 1.63 Allowed 'General case' 0 C--N 1.322 -0.609 0 CA-C-O 121.015 0.436 . . . . 0.0 110.766 -170.325 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 19' ' ' PHE . . . . . 0.454 ' O ' ' HG ' ' A' ' 21' ' ' LEU . 38.1 p90 -92.0 175.72 6.77 Favored 'General case' 0 C--N 1.322 -0.614 0 CA-C-N 115.753 -0.658 . . . . 0.0 110.042 176.501 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 14.4 mm100 -72.16 96.01 1.73 Allowed 'General case' 0 C--N 1.325 -0.494 0 CA-C-O 120.963 0.411 . . . . 0.0 110.148 178.448 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 21' ' ' LEU . . . . . 0.454 ' HG ' ' O ' ' A' ' 19' ' ' PHE . 0.7 OUTLIER -116.93 -11.23 10.84 Favored 'General case' 0 C--N 1.325 -0.459 0 CA-C-N 116.013 -0.54 . . . . 0.0 112.346 -176.256 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 22' ' ' TYR . . . . . 0.52 ' HB3' ' HD3' ' A' ' 23' ' ' PRO . 43.2 t80 -153.42 -53.63 0.02 OUTLIER Pre-proline 0 C--N 1.327 -0.402 0 N-CA-C 111.814 0.301 . . . . 0.0 111.814 -177.579 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 23' ' ' PRO . . . . . 0.562 ' HB2' ' HA3' ' A' ' 27' ' ' GLY . 10.2 Cg_endo -89.2 173.65 3.89 Favored 'Trans proline' 0 N--CA 1.453 -0.875 0 C-N-CA 121.922 1.748 . . . . 0.0 112.1 -179.142 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -111.86 -120.76 3.93 Favored Glycine 0 N--CA 1.447 -0.57 0 C-N-CA 120.698 -0.763 . . . . 0.0 112.629 -177.447 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 25' ' ' GLU . . . . . 0.434 ' O ' ' HG2' ' A' ' 28' ' ' LYS . 42.6 mt-10 -63.81 -45.33 90.09 Favored 'General case' 0 C--O 1.236 0.359 0 CA-C-O 120.719 0.295 . . . . 0.0 111.405 -175.279 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 54.5 tp -63.21 -32.18 73.52 Favored 'General case' 0 C--N 1.328 -0.365 0 N-CA-C 109.614 -0.513 . . . . 0.0 109.614 176.673 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 27' ' ' GLY . . . . . 0.562 ' HA3' ' HB2' ' A' ' 23' ' ' PRO . . . -63.25 -56.4 20.39 Favored Glycine 0 N--CA 1.447 -0.575 0 CA-C-N 115.592 -0.731 . . . . 0.0 112.741 179.38 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 28' ' ' LYS . . . . . 0.434 ' HG2' ' O ' ' A' ' 25' ' ' GLU . 21.7 ptmt -58.04 -34.04 69.65 Favored 'General case' 0 C--O 1.238 0.49 0 CA-C-O 120.822 0.344 . . . . 0.0 110.837 -176.661 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 29' ' ' ARG . . . . . 0.562 ' O ' ' HG2' ' A' ' 33' ' ' GLU . 32.8 ttt180 -59.22 -57.94 10.81 Favored 'General case' 0 N--CA 1.452 -0.357 0 CA-C-N 116.349 -0.387 . . . . 0.0 110.014 175.276 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 30' ' ' ILE . . . . . 0.465 ' O ' ' HB ' ' A' ' 34' ' ' ILE . 70.9 mt -59.25 -37.1 67.01 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.407 0 CA-C-O 121.109 0.481 . . . . 0.0 110.661 -179.29 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 31' ' ' TYR . . . . . . . . . . . . . 3.1 m-85 -66.71 -20.81 66.05 Favored 'General case' 0 C--N 1.323 -0.583 0 N-CA-C 112.609 0.596 . . . . 0.0 112.609 -177.092 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 32' ' ' ASN . . . . . . . . . . . . . 6.0 p30 -103.58 -12.46 17.06 Favored 'General case' 0 CA--C 1.534 0.342 0 C-N-CA 119.803 -0.759 . . . . 0.0 112.52 179.546 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 33' ' ' GLU . . . . . 0.562 ' HG2' ' O ' ' A' ' 29' ' ' ARG . 6.8 pt-20 -116.27 -3.72 11.95 Favored 'General case' 0 N--CA 1.468 0.444 0 CA-C-O 121.053 0.454 . . . . 0.0 111.57 178.182 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 34' ' ' ILE . . . . . 0.465 ' HB ' ' O ' ' A' ' 30' ' ' ILE . 12.7 mm -127.83 134.6 65.01 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.578 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.29 175.71 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 16.2 m -85.6 160.23 19.67 Favored 'General case' 0 C--N 1.322 -0.606 0 CA-C-N 116.041 -0.527 . . . . 0.0 110.945 178.938 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 36' ' ' LYS . . . . . 0.52 ' HG3' ' HA ' ' A' ' 17' ' ' GLN . 45.3 mttm -49.71 -43.64 47.71 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-N 115.586 -0.734 . . . . 0.0 111.12 178.52 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 2.4 m-20 -58.49 -53.67 55.68 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 115.465 -0.789 . . . . 0.0 111.385 -178.866 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -62.7 -38.93 92.37 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.034 -0.53 . . . . 0.0 110.973 -177.948 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 39' ' ' TRP . . . . . 0.424 ' O ' ' HG3' ' A' ' 43' ' ' GLN . 76.4 t-105 -64.62 -44.75 89.55 Favored 'General case' 0 C--N 1.326 -0.453 0 CA-C-N 115.854 -0.612 . . . . 0.0 110.293 177.982 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -62.24 -39.68 93.66 Favored 'General case' 0 C--O 1.235 0.325 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.818 178.993 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 41' ' ' GLN . . . . . 0.58 ' HA ' HE21 ' A' ' 41' ' ' GLN . 0.0 OUTLIER -60.4 -45.64 92.83 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 115.939 -0.573 . . . . 0.0 110.568 177.268 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 42' ' ' TRP . . . . . . . . . . . . . 22.5 t-105 -63.71 -43.92 95.15 Favored 'General case' 0 N--CA 1.453 -0.301 0 CA-C-N 116.545 -0.298 . . . . 0.0 110.961 178.971 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 43' ' ' GLN . . . . . 0.424 ' HG3' ' O ' ' A' ' 39' ' ' TRP . 45.9 mt-30 -55.2 -45.64 75.87 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-O 120.793 0.33 . . . . 0.0 111.311 -178.878 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 44' ' ' HIS . . . . . . . . . . . . . 70.9 m-70 -72.29 -34.7 68.34 Favored 'General case' 0 C--N 1.324 -0.5 0 CA-C-N 116.486 -0.324 . . . . 0.0 110.964 -178.703 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 58.7 tptt -62.63 -45.46 92.76 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.832 0.349 . . . . 0.0 110.144 175.88 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 46' ' ' GLN . . . . . . . . . . . . . 23.5 tp60 -64.06 -42.94 96.84 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 116.061 -0.518 . . . . 0.0 110.402 178.407 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 35.4 m -60.1 -46.61 89.03 Favored 'General case' 0 C--O 1.235 0.298 0 CA-C-O 120.981 0.42 . . . . 0.0 110.117 177.812 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 48' ' ' MET . . . . . . . . . . . . . 53.6 tpp -59.64 -42.7 93.35 Favored 'General case' 0 C--N 1.332 -0.183 0 CA-C-N 115.741 -0.663 . . . . 0.0 110.39 177.102 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 49' ' ' LEU . . . . . 0.416 ' HG ' ' HE2' ' A' ' 53' ' ' LYS . 7.7 tp -64.42 -41.6 96.52 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 115.736 -0.666 . . . . 0.0 110.829 -178.192 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 50' ' ' ILE . . . . . . . . . . . . . 78.6 mt -61.58 -46.58 96.27 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.442 176.921 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 51' ' ' ASN . . . . . . . . . . . . . 57.0 t30 -71.01 -23.97 62.28 Favored 'General case' 0 C--N 1.326 -0.454 0 CA-C-N 115.637 -0.711 . . . . 0.0 110.314 -179.023 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 25.5 tt0 -75.56 -65.26 0.92 Allowed 'General case' 0 C--N 1.324 -0.528 0 CA-C-N 115.454 -0.794 . . . . 0.0 110.954 -179.384 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 53' ' ' LYS . . . . . 0.416 ' HE2' ' HG ' ' A' ' 49' ' ' LEU . 52.4 mttm -82.4 -16.45 49.02 Favored 'General case' 0 C--N 1.326 -0.455 0 CA-C-N 115.652 -0.704 . . . . 0.0 111.123 -172.253 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 75.6 mmtt 61.14 80.89 0.2 Allowed 'General case' 0 C--O 1.233 0.192 0 O-C-N 123.857 0.723 . . . . 0.0 111.411 -179.802 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 4.0 pp -107.1 151.24 25.64 Favored 'General case' 0 C--N 1.323 -0.579 0 CA-C-N 115.749 -0.659 . . . . 0.0 109.83 176.613 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 56' ' ' ASN . . . . . . . . . . . . . 27.6 p-10 -101.2 147.25 26.48 Favored 'General case' 0 C--N 1.323 -0.549 0 N-CA-C 109.288 -0.634 . . . . 0.0 109.288 177.762 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 57' ' ' MET . . . . . . . . . . . . . 18.6 mtp -106.57 5.36 29.02 Favored 'General case' 0 C--N 1.32 -0.717 0 C-N-CA 120.628 -0.429 . . . . 0.0 111.882 -169.774 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 58' ' ' MET . . . . . . . . . . . . . 15.6 ptp -85.41 -17.11 37.6 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-O 120.82 0.343 . . . . 0.0 110.199 174.229 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 59' ' ' ASN . . . . . 0.461 ' HB3' ' OE1' ' A' ' 61' ' ' GLU . 6.4 m-20 -85.89 -177.61 6.38 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 115.996 -0.547 . . . . 0.0 110.45 178.719 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -92.15 -31.99 15.28 Favored 'General case' 0 C--N 1.323 -0.561 0 CA-C-O 120.767 0.318 . . . . 0.0 110.965 -179.088 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 61' ' ' GLU . . . . . 0.461 ' OE1' ' HB3' ' A' ' 59' ' ' ASN . 1.9 mp0 -47.52 -41.59 21.44 Favored 'General case' 0 N--CA 1.466 0.341 0 C-N-CA 123.756 0.822 . . . . 0.0 113.115 -172.763 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 62' ' ' HIS . . . . . . . . . . . . . 15.7 p80 -63.08 -24.92 68.13 Favored 'General case' 0 C--N 1.331 -0.228 0 N-CA-C 111.719 0.266 . . . . 0.0 111.719 -175.79 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 63' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -69.94 -56.95 5.69 Favored 'General case' 0 CA--C 1.519 -0.22 0 C-N-CA 121.048 -0.261 . . . . 0.0 110.771 -175.366 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 64' ' ' LYS . . . . . 0.417 ' O ' ' HG3' ' A' ' 68' ' ' GLN . 65.9 pttt -66.7 -36.96 83.75 Favored 'General case' 0 C--N 1.327 -0.394 0 C-N-CA 120.638 -0.425 . . . . 0.0 110.365 -179.275 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 53.7 tp -59.16 -49.65 77.04 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.534 -0.303 . . . . 0.0 110.519 179.208 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 10.4 tt -64.16 -43.74 94.25 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.137 179.657 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 34.8 tt0 -62.21 -41.79 98.7 Favored 'General case' 0 C--O 1.235 0.341 0 CA-C-O 120.886 0.375 . . . . 0.0 110.951 -178.465 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 68' ' ' GLN . . . . . 0.508 ' HA ' ' HE2' ' A' ' 78' ' ' LYS . 55.9 mt-30 -61.79 -57.16 12.96 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 115.99 -0.55 . . . . 0.0 110.756 178.801 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 8.2 mm-40 -63.15 -39.72 95.48 Favored 'General case' 0 C--N 1.325 -0.484 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.708 -177.42 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 70' ' ' MET . . . . . . . . . . . . . 58.8 ttp -59.18 -58.16 9.84 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-O 120.874 0.369 . . . . 0.0 111.443 -178.659 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 71' ' ' VAL . . . . . . . . . . . . . 46.8 t -66.73 -29.53 46.72 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 CA-C-O 120.919 0.39 . . . . 0.0 110.899 -175.431 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 10.2 t -76.26 -40.82 50.89 Favored 'General case' 0 C--N 1.325 -0.481 0 CA-C-O 120.791 0.329 . . . . 0.0 110.729 -179.693 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 73' ' ' PHE . . . . . . . . . . . . . 69.2 t80 -70.64 -39.9 73.4 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-O 120.905 0.383 . . . . 0.0 110.95 -178.682 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 74' ' ' LEU . . . . . . . . . . . . . 96.3 mt -86.67 -46.34 10.16 Favored 'General case' 0 C--N 1.325 -0.484 0 CA-C-N 116.026 -0.534 . . . . 0.0 112.276 -174.676 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 75' ' ' PHE . . . . . . . . . . . . . 49.6 t80 -98.19 -30.18 12.79 Favored 'General case' 0 C--N 1.328 -0.356 0 C-N-CA 120.903 -0.319 . . . . 0.0 111.79 -173.705 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 6.2 mm-40 60.18 32.23 20.8 Favored 'General case' 0 N--CA 1.469 0.501 0 CA-C-O 121.154 0.502 . . . . 0.0 111.196 -177.485 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . -153.79 84.1 0.15 Allowed Glycine 0 N--CA 1.448 -0.521 0 C-N-CA 120.882 -0.675 . . . . 0.0 112.07 179.376 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 78' ' ' LYS . . . . . 0.508 ' HE2' ' HA ' ' A' ' 68' ' ' GLN . 26.5 mtpp -112.26 174.26 5.97 Favored 'General case' 0 C--N 1.321 -0.633 0 CA-C-O 121.431 0.634 . . . . 0.0 112.029 179.641 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 79' ' ' ASP . . . . . . . . . . . . . 2.4 m-20 -106.37 -40.75 5.5 Favored 'General case' 0 C--N 1.322 -0.598 0 CA-C-N 114.987 -1.006 . . . . 0.0 108.289 172.371 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 80' ' ' VAL . . . . . . . . . . . . . 36.4 t -76.22 115.79 18.33 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.383 0 CA-C-N 114.852 -1.067 . . . . 0.0 110.653 179.478 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 81' ' ' HIS . . . . . . . . . . . . . 4.9 m170 -63.91 148.52 49.29 Favored 'General case' 0 C--N 1.326 -0.456 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.24 174.312 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 82' ' ' ILE . . . . . 0.437 HG12 ' HB3' ' A' ' 68' ' ' GLN . 11.2 mt -102.37 87.05 1.14 Allowed 'Isoleucine or valine' 0 C--N 1.32 -0.674 0 N-CA-C 109.462 -0.57 . . . . 0.0 109.462 175.669 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 44.0 mt-10 -144.58 -31.49 0.43 Allowed 'General case' 0 C--N 1.326 -0.426 0 CA-C-N 115.65 -0.704 . . . . 0.0 110.285 -178.078 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 84' ' ' GLY . . . . . . . . . . . . . . . 117.49 -42.66 1.79 Allowed Glycine 0 N--CA 1.446 -0.672 0 N-CA-C 110.983 -0.847 . . . . 0.0 110.983 -177.818 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 85' ' ' TYR . . . . . . . . . . . . . 37.6 p90 -155.59 152.79 29.18 Favored 'General case' 0 C--N 1.325 -0.496 0 N-CA-C 109.669 -0.493 . . . . 0.0 109.669 178.967 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 86' ' ' THR . . . . . 0.417 ' HA ' ' HD3' ' A' ' 87' ' ' PRO . 5.0 t -136.49 132.24 18.69 Favored Pre-proline 0 C--N 1.323 -0.577 0 CA-C-O 120.615 0.245 . . . . 0.0 110.721 177.311 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 87' ' ' PRO . . . . . 0.417 ' HD3' ' HA ' ' A' ' 86' ' ' THR . 15.7 Cg_exo -68.99 -178.18 1.94 Allowed 'Trans proline' 0 C--O 1.236 0.379 0 C-N-CA 122.641 2.227 . . . . 0.0 111.781 174.592 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 88' ' ' GLU . . . . . . . . . . . . . 55.5 mm-40 62.51 77.8 0.32 Allowed 'General case' 0 C--N 1.331 -0.215 0 CA-C-O 121.502 0.668 . . . . 0.0 111.583 -178.474 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 89' ' ' ASP . . . . . . . . . . . . . 6.7 m-20 -100.86 128.89 46.71 Favored 'General case' 0 C--N 1.323 -0.544 0 CA-C-N 115.635 -0.711 . . . . 0.0 110.034 175.378 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 18.1 ptpt -101.58 146.04 28.22 Favored 'General case' 0 C--N 1.321 -0.655 0 CA-C-N 116.244 -0.434 . . . . 0.0 109.952 177.482 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 91' ' ' LYS . . . . . . . . . . . . . 30.8 mmmt . . . . . 0 C--O 1.25 1.116 0 CA-C-O 118.58 -0.724 . . . . 0.0 110.114 -179.297 . . . . . . . . 0 0 . 1 . 011 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 70.5 mtm . . . . . 0 N--CA 1.479 1.004 0 CA-C-O 120.738 0.304 . . . . 0.0 110.552 . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 24.8 m -84.27 93.96 8.33 Favored 'General case' 0 N--CA 1.448 -0.536 0 CA-C-O 120.992 0.425 . . . . 0.0 110.453 -179.73 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 3' ' ' ARG . . . . . 0.433 ' HD2' ' HA3' ' A' ' 16' ' ' GLY . 38.0 ttm180 -81.23 112.71 18.81 Favored 'General case' 0 C--N 1.324 -0.502 0 CA-C-N 115.925 -0.579 . . . . 0.0 109.979 -179.205 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 20.2 p -109.22 129.87 55.49 Favored 'General case' 0 C--N 1.321 -0.657 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.243 -179.379 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 5' ' ' ILE . . . . . . . . . . . . . 2.8 pp -128.13 173.98 12.37 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.45 0 CA-C-N 115.898 -0.592 . . . . 0.0 109.919 175.867 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 6' ' ' PHE . . . . . . . . . . . . . 56.8 m-85 -97.84 102.61 14.41 Favored 'General case' 0 C--N 1.322 -0.598 0 CA-C-O 120.899 0.38 . . . . 0.0 110.189 176.057 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 7' ' ' CYS . . . . . 0.569 ' HA ' ' O ' ' A' ' 33' ' ' GLU . 47.5 t -75.69 129.6 37.37 Favored 'General case' 0 C--N 1.322 -0.615 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.304 -178.482 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 3.5 p -60.49 -46.45 90.05 Favored 'General case' 0 C--N 1.324 -0.535 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.852 -177.476 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 9' ' ' TYR . . . . . . . . . . . . . 75.8 t80 -70.45 -20.08 62.92 Favored 'General case' 0 C--N 1.325 -0.465 0 CA-C-N 115.952 -0.567 . . . . 0.0 111.394 -175.983 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 83.0 mt -105.66 -29.36 10.15 Favored 'General case' 0 C--N 1.326 -0.453 0 C-N-CA 121.091 -0.244 . . . . 0.0 111.553 -176.254 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 31.9 mm-40 65.6 22.45 11.71 Favored 'General case' 0 N--CA 1.469 0.507 0 CA-C-O 121.146 0.498 . . . . 0.0 110.67 -178.76 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 30.9 mtp180 -141.25 -179.74 6.29 Favored 'General case' 0 C--N 1.326 -0.439 0 CA-C-N 115.989 -0.551 . . . . 0.0 110.771 -176.219 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 5.3 m-20 -70.33 125.48 26.9 Favored 'General case' 0 C--O 1.235 0.329 0 CA-C-N 115.931 -0.577 . . . . 0.0 110.345 176.68 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -137.78 175.67 9.39 Favored 'General case' 0 C--N 1.322 -0.591 0 CA-C-N 116.11 -0.496 . . . . 0.0 110.635 179.511 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 31.5 tt0 -75.51 143.52 42.47 Favored 'General case' 0 C--N 1.326 -0.43 0 N-CA-C 110.036 -0.357 . . . . 0.0 110.036 -178.266 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 16' ' ' GLY . . . . . 0.433 ' HA3' ' HD2' ' A' ' 3' ' ' ARG . . . -83.32 37.7 2.74 Favored Glycine 0 CA--C 1.518 0.253 0 CA-C-N 116.115 -0.493 . . . . 0.0 113.837 -175.995 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 17' ' ' GLN . . . . . . . . . . . . . 2.3 mm-40 58.33 -166.12 0.16 Allowed 'General case' 0 C--N 1.329 -0.303 0 N-CA-C 114.767 1.395 . . . . 0.0 114.767 169.348 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 1.2 t70 -91.27 -153.62 0.33 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 114.447 -1.252 . . . . 0.0 110.949 -172.949 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 77.3 m-85 -119.78 179.07 4.35 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.026 -178.987 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 19.0 mm-40 -78.86 89.32 4.68 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-O 121.12 0.486 . . . . 0.0 110.228 177.782 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -109.99 -17.22 13.65 Favored 'General case' 0 C--N 1.324 -0.539 0 CA-C-N 115.689 -0.687 . . . . 0.0 111.922 -178.64 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 22' ' ' TYR . . . . . 0.532 ' HB3' ' HD3' ' A' ' 23' ' ' PRO . 67.2 t80 -156.99 -50.83 0.01 OUTLIER Pre-proline 0 C--N 1.325 -0.461 0 N-CA-C 111.767 0.284 . . . . 0.0 111.767 -176.724 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 23' ' ' PRO . . . . . 0.532 ' HD3' ' HB3' ' A' ' 22' ' ' TYR . 5.3 Cg_exo -79.2 154.61 25.19 Favored 'Trans proline' 0 C--N 1.354 0.862 0 C-N-CA 121.883 1.722 . . . . 0.0 111.593 178.199 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -97.94 -133.58 7.99 Favored Glycine 0 N--CA 1.451 -0.339 0 C-N-CA 120.525 -0.845 . . . . 0.0 112.307 179.391 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 39.7 mm-40 -63.52 -26.98 68.96 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.602 0.239 . . . . 0.0 111.25 -177.487 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 26' ' ' LEU . . . . . 0.519 ' O ' HG12 ' A' ' 30' ' ' ILE . 58.9 tp -63.71 -50.98 67.01 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-O 120.947 0.404 . . . . 0.0 110.182 178.033 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 27' ' ' GLY . . . . . 0.426 ' HA3' ' HB2' ' A' ' 23' ' ' PRO . . . -64.99 -37.47 94.31 Favored Glycine 0 N--CA 1.449 -0.463 0 C-N-CA 120.839 -0.696 . . . . 0.0 111.466 177.875 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 72.0 tttt -58.76 -45.76 89.01 Favored 'General case' 0 C--N 1.322 -0.612 0 C-N-CA 122.719 0.408 . . . . 0.0 110.774 176.365 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 73.6 ttt180 -56.7 -40.81 76.27 Favored 'General case' 0 N--CA 1.463 0.189 0 CA-C-N 116.025 -0.534 . . . . 0.0 110.359 176.804 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 30' ' ' ILE . . . . . 0.519 HG12 ' O ' ' A' ' 26' ' ' LEU . 44.9 mm -69.02 -47.97 72.43 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.358 0 CA-C-N 115.767 -0.651 . . . . 0.0 111.19 179.597 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 31' ' ' TYR . . . . . . . . . . . . . 21.5 m-30 -61.67 -25.48 67.42 Favored 'General case' 0 N--CA 1.466 0.359 0 N-CA-C 112.617 0.599 . . . . 0.0 112.617 -172.879 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 32' ' ' ASN . . . . . . . . . . . . . 25.7 m-80 -72.43 -28.53 63.01 Favored 'General case' 0 C--N 1.323 -0.564 0 C-N-CA 120.893 -0.323 . . . . 0.0 111.439 177.671 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 33' ' ' GLU . . . . . 0.569 ' O ' ' HA ' ' A' ' 7' ' ' CYS . 15.2 mm-40 -109.11 -22.2 12.24 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-O 120.826 0.346 . . . . 0.0 111.76 -173.864 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 34' ' ' ILE . . . . . 0.499 HD11 ' O ' ' A' ' 74' ' ' LEU . 26.0 mm -118.28 132.95 66.63 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.67 0 CA-C-O 120.751 0.31 . . . . 0.0 111.342 -176.434 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 4.4 t -90.42 -178.53 5.37 Favored 'General case' 0 N--CA 1.449 -0.479 0 CA-C-N 116.007 -0.542 . . . . 0.0 110.061 179.585 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 61.6 mttm -69.86 -42.36 73.64 Favored 'General case' 0 C--N 1.327 -0.405 0 N-CA-C 112.235 0.457 . . . . 0.0 112.235 -174.564 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 31.6 t70 -62.87 -45.61 91.76 Favored 'General case' 0 C--N 1.329 -0.302 0 C-N-CA 120.646 -0.422 . . . . 0.0 110.826 -178.439 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -65.86 -39.85 91.13 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-N 116.268 -0.424 . . . . 0.0 110.657 178.465 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 39' ' ' TRP . . . . . 0.511 ' CZ3' HG21 ' A' ' 30' ' ' ILE . 63.8 t-105 -62.64 -50.87 69.51 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-N 115.897 -0.592 . . . . 0.0 110.379 178.576 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -66.14 -31.77 72.83 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 115.809 -0.632 . . . . 0.0 110.601 -179.867 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 32.2 tt0 -63.03 -43.95 97.26 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 115.973 -0.558 . . . . 0.0 110.17 178.199 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 42' ' ' TRP . . . . . . . . . . . . . 42.8 t-105 -67.24 -41.81 85.02 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.071 -0.513 . . . . 0.0 110.634 177.438 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 43' ' ' GLN . . . . . 0.486 ' HG3' ' O ' ' A' ' 39' ' ' TRP . 47.8 mt-30 -60.12 -43.82 95.34 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 121.032 0.444 . . . . 0.0 110.315 178.004 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 44' ' ' HIS . . . . . . . . . . . . . 32.3 t60 -61.52 -43.69 98.41 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-N 115.755 -0.657 . . . . 0.0 110.227 177.786 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 45' ' ' LYS . . . . . 0.621 ' O ' ' HG ' ' A' ' 49' ' ' LEU . 5.7 tmtt? -63.48 -44.97 92.86 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 115.689 -0.687 . . . . 0.0 110.117 179.718 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 46' ' ' GLN . . . . . 0.453 ' O ' HG13 ' A' ' 50' ' ' ILE . 58.6 tp60 -65.81 -35.43 80.66 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.013 -0.539 . . . . 0.0 111.148 -179.694 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 49.1 m -57.32 -44.54 84.28 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 121.137 0.494 . . . . 0.0 109.689 176.645 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 48' ' ' MET . . . . . . . . . . . . . 26.2 ttt -62.65 -45.72 91.54 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 115.382 -0.826 . . . . 0.0 110.326 175.973 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 49' ' ' LEU . . . . . 0.621 ' HG ' ' O ' ' A' ' 45' ' ' LYS . 85.7 mt -59.39 -44.28 92.82 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 115.998 -0.547 . . . . 0.0 111.799 -178.499 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 50' ' ' ILE . . . . . 0.453 HG13 ' O ' ' A' ' 46' ' ' GLN . 77.2 mt -61.55 -42.73 95.16 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.248 0 CA-C-O 121.082 0.467 . . . . 0.0 110.632 178.61 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 51' ' ' ASN . . . . . . . . . . . . . 30.5 t30 -66.29 -40.38 90.01 Favored 'General case' 0 C--N 1.323 -0.553 0 CA-C-N 115.592 -0.731 . . . . 0.0 110.963 -177.732 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 19.2 mm-40 -75.86 -41.64 51.72 Favored 'General case' 0 C--N 1.324 -0.516 0 CA-C-N 116.188 -0.46 . . . . 0.0 112.185 -176.0 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 33.6 mtmm -93.51 -13.69 27.53 Favored 'General case' 0 C--N 1.327 -0.381 0 N-CA-C 112.361 0.504 . . . . 0.0 112.361 -174.409 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 60.6 mttp 53.55 79.58 0.12 Allowed 'General case' 0 N--CA 1.465 0.315 0 CA-C-O 121.072 0.463 . . . . 0.0 111.04 -175.627 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 55' ' ' LEU . . . . . 0.438 ' HB2' ' CG ' ' A' ' 62' ' ' HIS . 4.5 pp -119.48 144.05 47.21 Favored 'General case' 0 C--N 1.32 -0.675 0 CA-C-O 120.996 0.426 . . . . 0.0 111.29 -178.939 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 56' ' ' ASN . . . . . . . . . . . . . 13.9 m120 -84.96 135.38 34.06 Favored 'General case' 0 C--N 1.325 -0.486 0 CA-C-N 116.004 -0.543 . . . . 0.0 110.096 176.078 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 57' ' ' MET . . . . . . . . . . . . . 0.5 OUTLIER -83.06 -19.43 36.87 Favored 'General case' 0 C--N 1.322 -0.612 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.77 -176.176 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 58' ' ' MET . . . . . . . . . . . . . 3.7 mpp? -73.87 -34.67 64.55 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-O 121.06 0.457 . . . . 0.0 110.598 -179.246 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 59' ' ' ASN . . . . . . . . . . . . . 2.1 m-20 -65.43 128.56 36.39 Favored 'General case' 0 C--N 1.326 -0.445 0 CA-C-N 115.656 -0.702 . . . . 0.0 110.9 -177.32 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 60' ' ' ALA . . . . . 0.493 ' O ' ' HG2' ' A' ' 64' ' ' LYS . . . -60.15 -24.38 64.67 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 115.814 -0.63 . . . . 0.0 110.277 178.174 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 28.3 mt-10 -48.95 -63.65 1.03 Allowed 'General case' 0 C--O 1.233 0.224 0 CA-C-N 115.43 -0.804 . . . . 0.0 110.671 174.862 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 62' ' ' HIS . . . . . 0.438 ' CG ' ' HB2' ' A' ' 55' ' ' LEU . 71.3 m-70 -81.15 -18.39 46.49 Favored 'General case' 0 C--N 1.326 -0.446 0 CA-C-N 115.328 -0.851 . . . . 0.0 110.424 -174.511 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 63' ' ' ARG . . . . . . . . . . . . . 6.8 tpp180 -64.98 -50.12 67.57 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.102 177.633 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 64' ' ' LYS . . . . . 0.493 ' HG2' ' O ' ' A' ' 60' ' ' ALA . 20.1 pttm -72.67 -27.21 61.96 Favored 'General case' 0 C--N 1.333 -0.147 0 C-N-CA 120.738 -0.385 . . . . 0.0 110.694 178.233 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 68.7 tp -59.49 -52.75 64.23 Favored 'General case' 0 C--O 1.233 0.19 0 N-CA-C 109.878 -0.416 . . . . 0.0 109.878 173.66 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 47.7 tp -58.5 -43.93 89.26 Favored 'General case' 0 N--CA 1.455 -0.209 0 CA-C-N 115.805 -0.634 . . . . 0.0 110.934 177.644 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 67' ' ' GLU . . . . . 0.504 ' O ' HG23 ' A' ' 71' ' ' VAL . 39.7 tt0 -59.32 -52.65 64.75 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.943 -179.062 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 68' ' ' GLN . . . . . 0.465 ' HB3' ' CD1' ' A' ' 82' ' ' ILE . 43.4 mt-30 -57.98 -50.45 73.36 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.076 -0.511 . . . . 0.0 111.707 -179.216 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 8.5 mm-40 -64.83 -33.92 77.14 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.141 -0.482 . . . . 0.0 111.122 -179.316 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 70' ' ' MET . . . . . . . . . . . . . 50.3 ttm -63.34 -51.23 66.79 Favored 'General case' 0 C--N 1.326 -0.444 0 CA-C-O 120.912 0.387 . . . . 0.0 110.687 178.652 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 71' ' ' VAL . . . . . 0.504 HG23 ' O ' ' A' ' 67' ' ' GLU . 10.8 t -73.03 -10.01 13.54 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.398 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.444 -177.85 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 72' ' ' SER . . . . . 0.471 ' O ' ' HG2' ' A' ' 76' ' ' GLU . 63.6 m -90.51 -63.89 1.21 Allowed 'General case' 0 C--N 1.326 -0.439 0 CA-C-N 116.622 -0.263 . . . . 0.0 111.336 174.608 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 73' ' ' PHE . . . . . . . . . . . . . 81.0 t80 -58.76 -36.69 74.78 Favored 'General case' 0 N--CA 1.464 0.231 0 CA-C-O 120.713 0.292 . . . . 0.0 111.701 -173.824 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 74' ' ' LEU . . . . . 0.499 ' O ' HD11 ' A' ' 34' ' ' ILE . 80.8 mt -97.79 -43.68 7.04 Favored 'General case' 0 C--N 1.322 -0.609 0 N-CA-C 112.21 0.448 . . . . 0.0 112.21 -174.918 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 75' ' ' PHE . . . . . 0.556 ' CZ ' ' HG3' ' A' ' 33' ' ' GLU . 2.8 t80 -99.49 -44.76 6.05 Favored 'General case' 0 C--N 1.322 -0.63 0 CA-C-N 116.287 -0.415 . . . . 0.0 111.985 -167.97 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 76' ' ' GLU . . . . . 0.626 ' HA ' ' OE1' ' A' ' 76' ' ' GLU . 2.7 mm-40 54.5 20.35 2.78 Favored 'General case' 0 N--CA 1.47 0.546 0 C-N-CA 123.546 0.739 . . . . 0.0 112.441 -172.765 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . -118.06 38.77 2.81 Favored Glycine 0 N--CA 1.446 -0.676 0 N-CA-C 109.947 -1.261 . . . . 0.0 109.947 172.816 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 11.9 pttm -70.07 124.63 24.57 Favored 'General case' 0 C--N 1.324 -0.508 0 CA-C-N 114.711 -0.745 . . . . 0.0 111.953 -175.172 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 79' ' ' ASP . . . . . . . . . . . . . 6.3 p-10 -84.35 -17.89 37.99 Favored 'General case' 0 C--N 1.319 -0.749 0 CA-C-N 114.924 -1.035 . . . . 0.0 109.862 174.845 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 80' ' ' VAL . . . . . . . . . . . . . 40.9 t -89.78 118.83 35.84 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.45 0 CA-C-N 115.479 -0.782 . . . . 0.0 109.481 174.654 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 81' ' ' HIS . . . . . . . . . . . . . 73.5 m80 -83.48 130.75 35.03 Favored 'General case' 0 C--N 1.32 -0.677 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.319 -177.786 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 82' ' ' ILE . . . . . 0.465 ' CD1' ' HB3' ' A' ' 68' ' ' GLN . 42.5 mt -99.98 111.49 29.77 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 CA-C-N 115.929 -0.578 . . . . 0.0 111.216 -175.116 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 37.9 tt0 -154.6 -61.66 0.12 Allowed 'General case' 0 C--N 1.323 -0.587 0 CA-C-N 115.912 -0.586 . . . . 0.0 109.591 174.831 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 84' ' ' GLY . . . . . . . . . . . . . . . -154.29 -131.4 1.52 Allowed Glycine 0 N--CA 1.447 -0.6 0 CA-C-N 115.683 -0.69 . . . . 0.0 111.693 178.989 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 85' ' ' TYR . . . . . . . . . . . . . 87.1 t80 -137.7 114.81 10.85 Favored 'General case' 0 C--N 1.319 -0.735 0 N-CA-C 109.849 -0.426 . . . . 0.0 109.849 177.986 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 86' ' ' THR . . . . . . . . . . . . . 8.4 t -99.64 116.46 64.83 Favored Pre-proline 0 C--N 1.323 -0.582 0 CA-C-N 116.343 -0.389 . . . . 0.0 110.747 -179.068 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 87' ' ' PRO . . . . . . . . . . . . . 7.2 Cg_exo -73.03 -67.73 0.02 OUTLIER 'Trans proline' 0 C--N 1.348 0.515 0 C-N-CA 122.565 2.176 . . . . 0.0 112.168 177.181 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 88' ' ' GLU . . . . . . . . . . . . . 41.2 mt-10 61.87 14.18 6.1 Favored 'General case' 0 N--CA 1.47 0.553 0 CA-C-N 115.929 -0.578 . . . . 0.0 111.723 -179.058 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 89' ' ' ASP . . . . . . . . . . . . . 38.1 t0 -107.46 145.55 32.89 Favored 'General case' 0 C--N 1.323 -0.567 0 CA-C-N 115.945 -0.57 . . . . 0.0 109.49 179.031 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 22.7 pttm -121.43 17.93 11.36 Favored 'General case' 0 C--N 1.321 -0.665 0 CA-C-O 121.049 0.452 . . . . 0.0 110.768 -176.397 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 91' ' ' LYS . . . . . . . . . . . . . 55.4 mtpt . . . . . 0 C--O 1.249 1.078 0 CA-C-O 118.27 -0.871 . . . . 0.0 109.97 176.512 . . . . . . . . 0 0 . 1 . 012 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 20.5 mmt . . . . . 0 N--CA 1.482 1.146 0 N-CA-C 110.496 -0.187 . . . . 0.0 110.496 . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 24.3 m -70.01 151.69 45.27 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.255 -0.43 . . . . 0.0 111.108 178.91 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 3' ' ' ARG . . . . . 0.435 ' O ' ' HA ' ' A' ' 15' ' ' GLU . 30.9 tpt180 -133.13 96.85 3.85 Favored 'General case' 0 C--N 1.324 -0.507 0 N-CA-C 109.798 -0.445 . . . . 0.0 109.798 175.769 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 58.5 m -81.3 109.99 16.33 Favored 'General case' 0 C--N 1.323 -0.585 0 CA-C-O 121.094 0.473 . . . . 0.0 111.338 -179.017 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 5' ' ' ILE . . . . . . . . . . . . . 2.8 pp -126.21 162.03 30.8 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.564 0 CA-C-N 115.545 -0.752 . . . . 0.0 109.682 175.641 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 6' ' ' PHE . . . . . . . . . . . . . 86.9 m-85 -93.99 113.22 25.17 Favored 'General case' 0 C--N 1.32 -0.691 0 N-CA-C 109.77 -0.456 . . . . 0.0 109.77 175.121 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 7' ' ' CYS . . . . . 0.436 ' HA ' ' O ' ' A' ' 33' ' ' GLU . 42.7 t -78.67 137.23 37.71 Favored 'General case' 0 C--N 1.322 -0.601 0 CA-C-N 115.687 -0.688 . . . . 0.0 110.558 -175.88 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 3.0 p -60.08 -56.84 16.69 Favored 'General case' 0 C--N 1.324 -0.523 0 CA-C-N 115.8 -0.636 . . . . 0.0 112.427 -177.351 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 9' ' ' TYR . . . . . . . . . . . . . 46.0 t80 -73.55 -34.54 65.24 Favored 'General case' 0 C--N 1.324 -0.509 0 CA-C-O 120.631 0.253 . . . . 0.0 111.319 -173.963 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 10' ' ' LEU . . . . . 0.419 ' HB2' ' HB3' ' A' ' 7' ' ' CYS . 85.9 mt -80.26 -26.94 38.74 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-O 120.543 0.211 . . . . 0.0 110.953 -178.763 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 26.4 mm-40 63.9 19.65 11.84 Favored 'General case' 0 N--CA 1.466 0.364 0 CA-C-N 116.029 -0.532 . . . . 0.0 111.84 178.047 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 72.2 mtp180 -137.05 179.79 6.17 Favored 'General case' 0 C--N 1.325 -0.483 0 CA-C-N 116.164 -0.471 . . . . 0.0 109.871 178.133 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 6.0 p-10 -79.27 140.0 37.73 Favored 'General case' 0 C--N 1.325 -0.5 0 CA-C-O 121.022 0.439 . . . . 0.0 110.105 178.969 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -156.58 179.02 9.67 Favored 'General case' 0 C--N 1.321 -0.661 0 CA-C-N 115.652 -0.704 . . . . 0.0 109.792 -179.967 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 15' ' ' GLU . . . . . 0.435 ' HA ' ' O ' ' A' ' 3' ' ' ARG . 44.4 tt0 -81.39 134.69 35.6 Favored 'General case' 0 C--N 1.325 -0.458 0 CA-C-N 116.502 -0.317 . . . . 0.0 110.267 -179.831 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . -77.06 63.21 3.25 Favored Glycine 0 C--N 1.33 0.215 0 CA-C-N 116.226 -0.443 . . . . 0.0 113.125 -178.171 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 17' ' ' GLN . . . . . 0.635 ' O ' ' HE2' ' A' ' 36' ' ' LYS . 26.8 mt-30 47.14 -111.05 0.34 Allowed 'General case' 0 C--N 1.329 -0.286 0 N-CA-C 113.666 0.988 . . . . 0.0 113.666 176.489 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 1.5 t70 -148.73 -166.03 2.44 Favored 'General case' 0 C--N 1.326 -0.425 0 N-CA-C 109.743 -0.466 . . . . 0.0 109.743 -170.258 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 43.7 p90 -91.98 168.24 11.54 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-O 121.027 0.441 . . . . 0.0 111.075 179.81 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 16.0 mm100 -76.56 101.05 5.51 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 116.006 -0.543 . . . . 0.0 110.729 179.731 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 21' ' ' LEU . . . . . 0.688 HD23 ' H ' ' A' ' 21' ' ' LEU . 2.7 pt? -90.0 -12.4 38.74 Favored 'General case' 0 C--N 1.325 -0.483 0 CA-C-N 115.997 -0.547 . . . . 0.0 111.457 -178.927 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 22' ' ' TYR . . . . . 0.436 ' HB3' ' HD3' ' A' ' 23' ' ' PRO . 55.4 t80 -160.93 -55.45 0.01 OUTLIER Pre-proline 0 CA--C 1.539 0.546 0 N-CA-C 112.798 0.666 . . . . 0.0 112.798 -177.236 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 23' ' ' PRO . . . . . 0.436 ' HD3' ' HB3' ' A' ' 22' ' ' TYR . 4.0 Cg_exo -73.97 176.28 9.69 Favored 'Trans proline' 0 C--N 1.355 0.905 0 C-N-CA 121.921 1.747 . . . . 0.0 113.492 -170.902 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -118.72 -109.77 2.4 Favored Glycine 0 N--CA 1.448 -0.53 0 CA-C-N 115.736 -0.666 . . . . 0.0 112.307 179.499 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -62.17 -39.53 92.98 Favored 'General case' 0 N--CA 1.464 0.232 0 CA-C-O 120.559 0.218 . . . . 0.0 111.513 -175.81 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 60.1 tp -68.46 -40.46 81.04 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 121.012 0.435 . . . . 0.0 109.858 -179.128 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . -60.2 -55.53 29.67 Favored Glycine 0 N--CA 1.445 -0.709 0 CA-C-N 115.602 -0.726 . . . . 0.0 111.811 178.397 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 55.2 mtpt -61.55 -36.19 79.91 Favored 'General case' 0 C--N 1.325 -0.497 0 C-N-CA 121.245 -0.182 . . . . 0.0 110.949 -178.074 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 48.9 ttm-85 -54.4 -43.65 71.66 Favored 'General case' 0 C--N 1.329 -0.294 0 O-C-N 123.542 0.526 . . . . 0.0 110.839 178.557 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 30' ' ' ILE . . . . . . . . . . . . . 62.5 mt -81.41 -46.55 20.3 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.517 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.852 -179.993 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 31' ' ' TYR . . . . . 0.421 ' HA ' ' OE1' ' A' ' 17' ' ' GLN . 6.7 m-85 -65.18 -14.49 60.73 Favored 'General case' 0 C--N 1.325 -0.471 0 N-CA-C 113.487 0.921 . . . . 0.0 113.487 -172.085 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 32' ' ' ASN . . . . . . . . . . . . . 2.6 p30 -102.3 -10.42 19.53 Favored 'General case' 0 C--N 1.325 -0.46 0 C-N-CA 119.98 -0.688 . . . . 0.0 111.32 -178.453 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 33' ' ' GLU . . . . . 0.436 ' O ' ' HA ' ' A' ' 7' ' ' CYS . 42.5 mt-10 -126.02 -4.83 6.85 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 121.144 0.497 . . . . 0.0 111.466 -178.015 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 34' ' ' ILE . . . . . 0.405 ' O ' ' HG3' ' A' ' 17' ' ' GLN . 22.0 mm -121.59 136.77 57.44 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.535 0 CA-C-O 121.06 0.457 . . . . 0.0 110.344 176.747 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 13.8 t -94.97 164.63 12.82 Favored 'General case' 0 N--CA 1.445 -0.687 0 CA-C-N 116.0 -0.546 . . . . 0.0 110.1 178.545 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 36' ' ' LYS . . . . . 0.635 ' HE2' ' O ' ' A' ' 17' ' ' GLN . 66.0 mttm -56.77 -33.96 67.13 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 115.926 -0.579 . . . . 0.0 111.004 -179.946 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 33.6 t70 -62.71 -55.78 23.65 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.467 -0.333 . . . . 0.0 111.167 -179.462 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -64.34 -39.26 93.53 Favored 'General case' 0 C--N 1.326 -0.449 0 CA-C-O 120.995 0.426 . . . . 0.0 110.637 179.12 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 39' ' ' TRP . . . . . . . . . . . . . 75.1 t-105 -61.96 -51.36 68.4 Favored 'General case' 0 C--N 1.325 -0.462 0 CA-C-N 115.614 -0.721 . . . . 0.0 110.996 179.64 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -64.99 -36.58 84.88 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.401 -0.363 . . . . 0.0 111.246 -177.882 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 41.3 mt-30 -65.71 -49.12 69.68 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.259 178.052 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 42' ' ' TRP . . . . . 0.412 ' HE1' ' HA ' ' A' ' 70' ' ' MET . 50.0 t-105 -70.91 -36.84 72.87 Favored 'General case' 0 C--O 1.222 -0.357 0 C-N-CA 120.442 -0.503 . . . . 0.0 110.983 -177.711 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 43' ' ' GLN . . . . . . . . . . . . . 33.6 mt-30 -55.67 -49.09 73.87 Favored 'General case' 0 CA--C 1.518 -0.264 0 CA-C-O 121.173 0.511 . . . . 0.0 110.283 174.972 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 44' ' ' HIS . . . . . . . . . . . . . 5.1 t60 -68.62 -45.81 70.93 Favored 'General case' 0 C--N 1.322 -0.609 0 CA-C-N 115.397 -0.82 . . . . 0.0 110.728 -176.301 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 45' ' ' LYS . . . . . 0.47 ' O ' ' HB3' ' A' ' 48' ' ' MET . 17.7 tppt? -65.89 -43.28 88.73 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.102 -178.765 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 46' ' ' GLN . . . . . 0.576 ' O ' HG13 ' A' ' 50' ' ' ILE . 55.5 tp60 -66.55 -31.91 72.93 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-N 116.523 -0.308 . . . . 0.0 110.48 -179.441 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 86.5 m -61.47 -40.54 94.89 Favored 'General case' 0 C--O 1.234 0.263 0 CA-C-O 120.945 0.402 . . . . 0.0 110.001 175.29 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 48' ' ' MET . . . . . 0.473 ' O ' ' HG2' ' A' ' 52' ' ' GLU . 48.9 tpp -57.41 -52.09 66.76 Favored 'General case' 0 C--N 1.332 -0.192 0 CA-C-N 115.921 -0.581 . . . . 0.0 109.748 172.775 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 10.5 mp -58.73 -39.57 81.25 Favored 'General case' 0 C--N 1.331 -0.204 0 CA-C-N 115.803 -0.635 . . . . 0.0 111.749 -179.556 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 50' ' ' ILE . . . . . 0.576 HG13 ' O ' ' A' ' 46' ' ' GLN . 75.9 mt -56.56 -49.33 78.09 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.448 0 CA-C-O 121.012 0.434 . . . . 0.0 110.461 178.394 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 51' ' ' ASN . . . . . . . . . . . . . 90.6 m-20 -70.22 -48.23 57.94 Favored 'General case' 0 C--N 1.322 -0.604 0 CA-C-N 115.986 -0.552 . . . . 0.0 111.024 -178.864 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 52' ' ' GLU . . . . . 0.473 ' HG2' ' O ' ' A' ' 48' ' ' MET . 14.3 mm-40 -65.3 -37.32 86.79 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-N 116.091 -0.504 . . . . 0.0 111.874 -175.579 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 53' ' ' LYS . . . . . 0.469 ' HE3' HD11 ' A' ' 55' ' ' LEU . 55.0 mtmt -94.0 7.42 45.15 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.886 -0.143 . . . . 0.0 111.349 -179.182 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 31.5 mmmt 59.73 39.16 21.26 Favored 'General case' 0 N--CA 1.469 0.525 0 O-C-N 123.473 0.483 . . . . 0.0 111.611 173.881 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 55' ' ' LEU . . . . . 0.469 HD11 ' HE3' ' A' ' 53' ' ' LYS . 43.1 mt -84.93 88.7 7.45 Favored 'General case' 0 C--N 1.324 -0.517 0 CA-C-N 116.028 -0.533 . . . . 0.0 110.938 -176.554 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 56' ' ' ASN . . . . . . . . . . . . . 28.5 p-10 -76.56 116.11 16.94 Favored 'General case' 0 C--N 1.323 -0.557 0 CA-C-O 121.6 0.714 . . . . 0.0 109.424 175.429 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 57' ' ' MET . . . . . . . . . . . . . 24.4 mmt -81.4 15.59 1.97 Allowed 'General case' 0 C--N 1.323 -0.582 0 CA-C-N 115.726 -0.67 . . . . 0.0 112.026 -170.061 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 58' ' ' MET . . . . . . . . . . . . . 88.5 mtp -86.41 -6.63 58.88 Favored 'General case' 0 C--N 1.325 -0.463 0 CA-C-O 121.308 0.575 . . . . 0.0 109.937 174.942 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 59' ' ' ASN . . . . . . . . . . . . . 45.5 m-80 -111.22 138.64 47.42 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 115.714 -0.675 . . . . 0.0 110.286 175.872 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 60' ' ' ALA . . . . . 0.541 ' O ' ' HG2' ' A' ' 64' ' ' LYS . . . -63.1 -24.18 67.78 Favored 'General case' 0 C--N 1.326 -0.446 0 CA-C-N 115.983 -0.553 . . . . 0.0 111.082 -178.471 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 11.1 mm-40 -56.52 -54.45 45.71 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 115.836 -0.62 . . . . 0.0 111.274 178.363 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 62' ' ' HIS . . . . . . . . . . . . . 88.6 m-70 -79.87 -22.3 43.04 Favored 'General case' 0 C--N 1.324 -0.539 0 CA-C-N 116.121 -0.491 . . . . 0.0 110.258 -176.691 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 63' ' ' ARG . . . . . . . . . . . . . 14.8 tpp180 -63.84 -53.18 54.69 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 115.861 -0.608 . . . . 0.0 110.487 178.519 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 64' ' ' LYS . . . . . 0.541 ' HG2' ' O ' ' A' ' 60' ' ' ALA . 16.1 pttm -69.62 -28.75 66.19 Favored 'General case' 0 C--N 1.332 -0.16 0 C-N-CA 120.69 -0.404 . . . . 0.0 110.528 177.944 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 65' ' ' LEU . . . . . 0.426 HD22 ' HA ' ' A' ' 65' ' ' LEU . 0.3 OUTLIER -61.81 -47.25 85.95 Favored 'General case' 0 C--N 1.329 -0.312 0 N-CA-C 109.4 -0.593 . . . . 0.0 109.4 176.204 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 28.8 tp -53.65 -49.41 67.99 Favored 'General case' 0 C--O 1.233 0.187 0 CA-C-N 115.764 -0.653 . . . . 0.0 110.645 175.367 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 67' ' ' GLU . . . . . 0.417 ' O ' HG23 ' A' ' 71' ' ' VAL . 42.1 tt0 -57.19 -51.44 69.31 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 115.186 -0.916 . . . . 0.0 110.568 178.909 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 68' ' ' GLN . . . . . 0.52 HE21 HG12 ' A' ' 82' ' ' ILE . 26.2 mt-30 -59.49 -43.08 93.41 Favored 'General case' 0 C--N 1.325 -0.477 0 CA-C-N 115.582 -0.735 . . . . 0.0 111.793 -177.921 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 19.3 mt-10 -65.41 -41.37 93.7 Favored 'General case' 0 C--O 1.234 0.261 0 CA-C-O 120.871 0.367 . . . . 0.0 110.538 178.607 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 70' ' ' MET . . . . . 0.412 ' HA ' ' HE1' ' A' ' 42' ' ' TRP . 52.8 ttm -63.74 -50.37 69.36 Favored 'General case' 0 C--N 1.331 -0.205 0 CA-C-N 115.911 -0.586 . . . . 0.0 111.368 -176.952 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 71' ' ' VAL . . . . . 0.417 HG23 ' O ' ' A' ' 67' ' ' GLU . 44.3 t -66.19 -32.94 60.34 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.351 0 CA-C-N 116.497 -0.32 . . . . 0.0 111.19 -177.763 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 47.6 m -71.35 -35.24 71.09 Favored 'General case' 0 C--N 1.325 -0.48 0 CA-C-O 120.567 0.223 . . . . 0.0 111.445 -179.483 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 73' ' ' PHE . . . . . . . . . . . . . 49.8 t80 -87.99 -57.18 3.03 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-O 120.694 0.283 . . . . 0.0 111.38 -176.522 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 74' ' ' LEU . . . . . . . . . . . . . 48.8 mt -72.85 -51.7 17.76 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.396 -0.366 . . . . 0.0 111.954 -174.144 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 75' ' ' PHE . . . . . . . . . . . . . 56.8 t80 -79.37 -42.9 24.55 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-N 116.608 -0.269 . . . . 0.0 110.332 -177.116 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 23.6 tt0 58.06 75.15 0.4 Allowed 'General case' 0 C--O 1.236 0.385 0 CA-C-O 122.01 0.909 . . . . 0.0 110.328 -177.922 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . 161.88 58.81 0.02 OUTLIER Glycine 0 N--CA 1.448 -0.529 0 CA-C-N 114.878 -1.055 . . . . 0.0 111.424 -177.287 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 78' ' ' LYS . . . . . 0.456 ' HD3' ' O ' ' A' ' 80' ' ' VAL . 1.5 pptp? -109.52 156.32 20.27 Favored 'General case' 0 C--N 1.322 -0.628 0 CA-C-O 120.72 0.295 . . . . 0.0 110.74 -178.37 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 79' ' ' ASP . . . . . . . . . . . . . 8.1 p-10 -102.24 -22.37 14.18 Favored 'General case' 0 C--N 1.324 -0.507 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.778 179.512 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 80' ' ' VAL . . . . . 0.456 ' O ' ' HD3' ' A' ' 78' ' ' LYS . 31.2 t -75.95 116.42 18.92 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.42 0 CA-C-N 115.917 -0.583 . . . . 0.0 110.798 -178.756 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 81' ' ' HIS . . . . . . . . . . . . . 3.1 m-70 -71.35 145.72 49.24 Favored 'General case' 0 C--N 1.324 -0.509 0 CA-C-N 116.291 -0.413 . . . . 0.0 111.003 177.353 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 82' ' ' ILE . . . . . 0.52 HG12 HE21 ' A' ' 68' ' ' GLN . 22.6 mt -111.76 87.57 1.01 Allowed 'Isoleucine or valine' 0 C--N 1.322 -0.597 0 N-CA-C 109.705 -0.48 . . . . 0.0 109.705 178.071 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 31.3 mm-40 -160.85 176.03 11.9 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-N 115.726 -0.67 . . . . 0.0 109.667 179.972 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 84' ' ' GLY . . . . . . . . . . . . . . . -76.62 101.36 1.52 Allowed Glycine 0 N--CA 1.449 -0.455 0 C-N-CA 120.976 -0.631 . . . . 0.0 112.252 177.727 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 85' ' ' TYR . . . . . . . . . . . . . 21.8 p90 -102.97 160.25 14.78 Favored 'General case' 0 C--N 1.324 -0.533 0 CA-C-O 120.952 0.406 . . . . 0.0 111.062 179.682 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 86' ' ' THR . . . . . . . . . . . . . 29.4 m -128.08 99.21 25.46 Favored Pre-proline 0 C--N 1.322 -0.624 0 CA-C-N 115.988 -0.551 . . . . 0.0 110.493 178.526 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 87' ' ' PRO . . . . . . . . . . . . . 71.9 Cg_endo -81.99 132.72 7.5 Favored 'Trans proline' 0 N--CA 1.461 -0.436 0 C-N-CA 122.627 2.218 . . . . 0.0 112.21 -178.94 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 88' ' ' GLU . . . . . . . . . . . . . 34.8 tt0 -77.38 -38.2 50.51 Favored 'General case' 0 C--N 1.324 -0.51 0 CA-C-N 115.968 -0.56 . . . . 0.0 110.186 178.823 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 89' ' ' ASP . . . . . . . . . . . . . 4.4 t70 -145.26 178.92 7.73 Favored 'General case' 0 C--N 1.325 -0.493 0 N-CA-C 108.856 -0.794 . . . . 0.0 108.856 178.861 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 24.4 pttm -154.25 14.95 0.46 Allowed 'General case' 0 C--N 1.324 -0.507 0 CA-C-O 121.108 0.48 . . . . 0.0 111.049 -178.128 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 91' ' ' LYS . . . . . . . . . . . . . 88.8 tttt . . . . . 0 C--O 1.247 0.964 0 CA-C-O 118.523 -0.751 . . . . 0.0 109.681 178.126 . . . . . . . . 0 0 . 1 . 013 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 58.5 ttp . . . . . 0 N--CA 1.477 0.901 0 CA-C-O 120.91 0.386 . . . . 0.0 110.826 . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 57.0 p -99.92 -53.83 3.06 Favored 'General case' 0 C--N 1.32 -0.677 0 N-CA-C 108.511 -0.922 . . . . 0.0 108.511 174.266 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 3' ' ' ARG . . . . . . . . . . . . . 12.6 ttm180 -144.23 93.26 2.41 Favored 'General case' 0 C--N 1.323 -0.572 0 CA-C-N 115.502 -0.772 . . . . 0.0 109.176 171.402 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 30.0 m -68.1 113.46 5.79 Favored 'General case' 0 C--N 1.324 -0.53 0 CA-C-N 115.744 -0.662 . . . . 0.0 110.708 -179.304 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 5' ' ' ILE . . . . . . . . . . . . . 2.5 pp -123.87 160.57 27.58 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.698 0 CA-C-N 115.884 -0.598 . . . . 0.0 110.655 -179.567 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 6' ' ' PHE . . . . . . . . . . . . . 81.3 m-85 -90.34 95.35 10.14 Favored 'General case' 0 C--N 1.321 -0.657 0 N-CA-C 109.55 -0.537 . . . . 0.0 109.55 174.15 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 7' ' ' CYS . . . . . 0.415 ' HB3' ' HB2' ' A' ' 10' ' ' LEU . 50.0 t -53.64 141.06 27.19 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 115.451 -0.795 . . . . 0.0 111.215 -177.243 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 2.1 p -58.88 -39.3 80.99 Favored 'General case' 0 C--N 1.325 -0.495 0 CA-C-N 116.113 -0.494 . . . . 0.0 111.696 -178.671 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 9' ' ' TYR . . . . . . . . . . . . . 76.9 t80 -83.09 -42.13 17.76 Favored 'General case' 0 C--N 1.326 -0.439 0 CA-C-N 116.105 -0.498 . . . . 0.0 111.227 -176.939 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 10' ' ' LEU . . . . . 0.415 ' HB2' ' HB3' ' A' ' 7' ' ' CYS . 79.3 mt -81.41 -35.49 30.63 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.57 -0.286 . . . . 0.0 111.489 -174.382 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 26.2 mm-40 62.73 19.69 11.58 Favored 'General case' 0 N--CA 1.466 0.347 0 CA-C-O 121.135 0.493 . . . . 0.0 111.542 -176.97 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 78.3 mtp180 -128.76 177.01 7.37 Favored 'General case' 0 C--N 1.323 -0.556 0 CA-C-N 116.113 -0.494 . . . . 0.0 109.827 -179.303 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 5.1 m-20 -63.29 114.7 3.97 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 123.477 0.486 . . . . 0.0 110.182 176.504 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -132.56 174.19 10.53 Favored 'General case' 0 C--N 1.316 -0.876 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.599 -179.288 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 7.9 tp10 -100.99 134.85 43.36 Favored 'General case' 0 C--N 1.321 -0.652 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.758 -175.459 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . -66.65 128.48 29.65 Favored Glycine 0 N--CA 1.444 -0.789 0 C-N-CA 120.602 -0.809 . . . . 0.0 111.512 174.776 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 17' ' ' GLN . . . . . 0.528 ' O ' ' HB3' ' A' ' 31' ' ' TYR . 0.0 OUTLIER -77.58 112.69 14.63 Favored 'General case' 0 C--N 1.323 -0.579 0 CA-C-O 120.891 0.377 . . . . 0.0 110.934 -179.389 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 6.4 m-20 -95.53 94.73 7.94 Favored 'General case' 0 C--N 1.323 -0.562 0 CA-C-O 120.959 0.409 . . . . 0.0 111.222 175.868 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 24.5 m-85 -144.57 127.69 16.6 Favored 'General case' 0 C--N 1.323 -0.574 0 CA-C-N 115.454 -0.794 . . . . 0.0 110.775 178.491 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 23.6 mm-40 -136.01 28.78 3.15 Favored 'General case' 0 C--N 1.321 -0.661 0 CA-C-N 115.289 -0.869 . . . . 0.0 109.211 177.901 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 21' ' ' LEU . . . . . 0.515 ' H ' ' CD1' ' A' ' 21' ' ' LEU . 0.0 OUTLIER -73.15 -6.3 44.88 Favored 'General case' 0 N--CA 1.465 0.308 0 CA-C-N 115.279 -0.873 . . . . 0.0 111.967 -173.616 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 22' ' ' TYR . . . . . 0.516 ' HB3' ' HD3' ' A' ' 23' ' ' PRO . 90.1 t80 -159.06 -53.05 0.01 OUTLIER Pre-proline 0 C--N 1.321 -0.631 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.894 -179.983 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 23' ' ' PRO . . . . . 0.516 ' HD3' ' HB3' ' A' ' 22' ' ' TYR . 83.9 Cg_endo -86.25 169.87 8.39 Favored 'Trans proline' 0 C--N 1.356 0.949 0 C-N-CA 121.738 1.626 . . . . 0.0 112.674 178.49 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -127.19 -97.57 0.98 Allowed Glycine 0 N--CA 1.447 -0.622 0 CA-C-N 115.686 -0.688 . . . . 0.0 111.824 178.246 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 3.5 tm-20 -59.22 -57.03 14.8 Favored 'General case' 0 CA--C 1.52 -0.177 0 O-C-N 123.736 0.316 . . . . 0.0 110.286 179.518 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 45.5 tp -61.3 -32.21 72.06 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.067 -0.515 . . . . 0.0 110.469 -179.052 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . -59.94 -62.37 6.16 Favored Glycine 0 N--CA 1.447 -0.575 0 C-N-CA 120.95 -0.643 . . . . 0.0 111.837 176.297 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 67.5 mttm -58.64 -35.74 72.98 Favored 'General case' 0 C--O 1.224 -0.257 0 CA-C-O 120.878 0.37 . . . . 0.0 110.507 179.313 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 29' ' ' ARG . . . . . 0.408 HH11 ' HD2' ' A' ' 29' ' ' ARG . 34.1 ttt85 -52.74 -44.51 66.49 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-N 115.698 -0.683 . . . . 0.0 110.858 178.938 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 30' ' ' ILE . . . . . . . . . . . . . 65.5 mt -80.24 -40.86 20.41 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 CA-C-N 115.996 -0.547 . . . . 0.0 110.686 178.561 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 31' ' ' TYR . . . . . 0.528 ' HB3' ' O ' ' A' ' 17' ' ' GLN . 19.4 m-85 -71.07 -8.86 56.35 Favored 'General case' 0 C--N 1.324 -0.524 0 N-CA-C 112.587 0.588 . . . . 0.0 112.587 -174.581 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 32' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER -88.23 -21.77 24.33 Favored 'General case' 0 C--N 1.325 -0.484 0 CA-C-O 120.923 0.392 . . . . 0.0 110.383 174.949 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 31.3 mm-40 -104.63 -24.77 12.93 Favored 'General case' 0 C--N 1.325 -0.474 0 CA-C-N 115.991 -0.55 . . . . 0.0 110.182 -179.442 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 34' ' ' ILE . . . . . 0.433 HG13 ' HB3' ' A' ' 74' ' ' LEU . 29.6 mm -115.88 138.77 45.24 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.593 0 CA-C-N 115.726 -0.67 . . . . 0.0 111.228 -175.666 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 23.1 m -114.94 -171.06 1.87 Allowed 'General case' 0 N--CA 1.445 -0.71 0 CA-C-N 115.302 -0.863 . . . . 0.0 111.085 -178.56 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 27.4 mmtp -54.76 -51.64 65.07 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 115.406 -0.815 . . . . 0.0 111.275 -175.186 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 14.5 t70 -56.89 -53.53 56.95 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 115.511 -0.768 . . . . 0.0 111.357 -173.559 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -69.36 -42.45 75.23 Favored 'General case' 0 C--N 1.324 -0.514 0 CA-C-N 115.928 -0.578 . . . . 0.0 111.54 -176.333 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 39' ' ' TRP . . . . . . . . . . . . . 74.4 t-105 -67.28 -50.56 59.85 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 120.771 0.32 . . . . 0.0 111.08 -176.593 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -61.0 -43.18 99.27 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.093 -0.503 . . . . 0.0 111.365 -176.215 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 27.3 mt-30 -69.12 -44.49 72.3 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 116.49 -0.323 . . . . 0.0 111.486 -177.71 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 42' ' ' TRP . . . . . 0.512 ' NE1' ' HA ' ' A' ' 70' ' ' MET . 32.5 t-105 -62.01 -50.75 70.82 Favored 'General case' 0 C--N 1.331 -0.23 0 C-N-CA 121.011 -0.276 . . . . 0.0 111.271 -179.621 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 43' ' ' GLN . . . . . . . . . . . . . 15.9 mm100 -62.9 -38.69 91.96 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-O 120.641 0.257 . . . . 0.0 111.008 -178.09 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 44' ' ' HIS . . . . . . . . . . . . . 80.4 t60 -64.23 -40.81 96.81 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-O 120.972 0.415 . . . . 0.0 110.213 176.6 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 22.9 tptm -64.84 -46.01 83.69 Favored 'General case' 0 C--N 1.326 -0.438 0 CA-C-N 116.087 -0.506 . . . . 0.0 110.56 179.43 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 46' ' ' GLN . . . . . 0.513 ' O ' HG13 ' A' ' 50' ' ' ILE . 8.3 tp-100 -61.48 -42.19 98.4 Favored 'General case' 0 C--N 1.326 -0.443 0 CA-C-N 116.229 -0.442 . . . . 0.0 110.435 179.333 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 40.6 m -58.5 -37.78 76.29 Favored 'General case' 0 C--N 1.332 -0.153 0 CA-C-N 116.348 -0.387 . . . . 0.0 110.901 178.483 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 48' ' ' MET . . . . . . . . . . . . . 15.9 tpt -63.82 -40.88 97.67 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.552 179.62 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 11.0 mp -69.31 -31.36 69.78 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.333 -0.394 . . . . 0.0 110.553 178.267 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 50' ' ' ILE . . . . . 0.513 HG13 ' O ' ' A' ' 46' ' ' GLN . 73.0 mt -65.47 -37.82 80.98 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.211 174.769 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 51' ' ' ASN . . . . . . . . . . . . . 13.9 m120 -71.3 -34.4 70.58 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-O 121.155 0.503 . . . . 0.0 110.237 178.218 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 32.4 tt0 -70.89 -56.32 6.53 Favored 'General case' 0 C--N 1.324 -0.506 0 CA-C-N 115.368 -0.833 . . . . 0.0 111.339 -178.256 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 51.6 mtmt -90.05 -12.69 37.77 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-N 116.008 -0.542 . . . . 0.0 111.808 -172.597 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 95.4 mttt 57.82 73.44 0.47 Allowed 'General case' 0 N--CA 1.465 0.278 0 O-C-N 123.698 0.624 . . . . 0.0 111.375 177.841 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 4.3 pp -124.3 154.9 39.58 Favored 'General case' 0 C--N 1.325 -0.489 0 CA-C-N 116.34 -0.391 . . . . 0.0 111.549 -177.057 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 56' ' ' ASN . . . . . . . . . . . . . 10.2 m120 -113.64 142.48 45.94 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.79 177.629 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 57' ' ' MET . . . . . . . . . . . . . 24.0 mmt -85.79 6.73 26.68 Favored 'General case' 0 C--N 1.325 -0.457 0 CA-C-N 116.101 -0.5 . . . . 0.0 110.646 -179.074 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 58' ' ' MET . . . . . . . . . . . . . 70.9 mtm -78.17 -10.75 59.78 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.07 -0.514 . . . . 0.0 110.633 178.588 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 59' ' ' ASN . . . . . . . . . . . . . 68.6 m-20 -104.98 145.7 30.06 Favored 'General case' 0 C--N 1.325 -0.484 0 N-CA-C 109.673 -0.492 . . . . 0.0 109.673 177.518 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 60' ' ' ALA . . . . . 0.484 ' O ' ' HG2' ' A' ' 64' ' ' LYS . . . -61.29 -27.2 68.3 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-N 116.352 -0.385 . . . . 0.0 111.094 -179.591 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 61' ' ' GLU . . . . . 0.456 ' H ' ' HG3' ' A' ' 61' ' ' GLU . 9.8 mt-10 -46.0 -56.02 6.08 Favored 'General case' 0 C--O 1.237 0.405 0 CA-C-O 121.839 0.828 . . . . 0.0 110.526 176.911 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 62' ' ' HIS . . . . . 0.43 ' HA ' ' HB3' ' A' ' 65' ' ' LEU . 67.0 m-70 -93.78 -18.72 21.75 Favored 'General case' 0 C--N 1.32 -0.702 0 CA-C-N 114.981 -1.009 . . . . 0.0 110.776 -170.514 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 63' ' ' ARG . . . . . 0.59 ' NH1' ' HB2' ' A' ' 67' ' ' GLU . 0.0 OUTLIER -63.54 -44.0 95.47 Favored 'General case' 0 C--N 1.33 -0.266 0 N-CA-C 109.043 -0.725 . . . . 0.0 109.043 174.484 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 64' ' ' LYS . . . . . 0.484 ' HG2' ' O ' ' A' ' 60' ' ' ALA . 20.3 pttp -75.12 -29.36 60.54 Favored 'General case' 0 N--CA 1.455 -0.18 0 CA-C-N 116.368 -0.378 . . . . 0.0 110.416 176.654 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 65' ' ' LEU . . . . . 0.43 ' HB3' ' HA ' ' A' ' 62' ' ' HIS . 44.8 tp -56.02 -57.54 11.69 Favored 'General case' 0 C--O 1.233 0.222 0 CA-C-O 120.687 0.279 . . . . 0.0 110.422 174.061 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 10.1 tt -61.26 -40.06 92.67 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.011 -0.541 . . . . 0.0 109.892 179.063 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 67' ' ' GLU . . . . . 0.59 ' HB2' ' NH1' ' A' ' 63' ' ' ARG . 18.3 tp10 -49.92 -59.4 3.9 Favored 'General case' 0 C--O 1.239 0.522 0 CA-C-O 121.411 0.625 . . . . 0.0 110.613 175.374 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 68' ' ' GLN . . . . . 0.415 ' HB3' HG12 ' A' ' 82' ' ' ILE . 56.2 mt-30 -57.06 -60.95 2.84 Favored 'General case' 0 C--N 1.325 -0.475 0 CA-C-N 115.059 -0.973 . . . . 0.0 110.87 -179.022 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 69' ' ' GLU . . . . . 0.461 ' HB3' ' CZ2' ' A' ' 42' ' ' TRP . 5.6 mm-40 -61.43 -43.73 98.36 Favored 'General case' 0 C--N 1.325 -0.469 0 N-CA-C 112.899 0.703 . . . . 0.0 112.899 -172.814 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 70' ' ' MET . . . . . 0.512 ' HA ' ' NE1' ' A' ' 42' ' ' TRP . 59.9 ttp -61.12 -59.23 5.66 Favored 'General case' 0 CA--C 1.518 -0.251 0 CA-C-O 120.589 0.233 . . . . 0.0 111.185 -176.345 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 71' ' ' VAL . . . . . 0.508 ' HB ' ' HD2' ' A' ' 78' ' ' LYS . 59.2 t -67.79 -22.77 28.56 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.42 0 CA-C-O 121.016 0.436 . . . . 0.0 110.732 -176.919 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 17.1 t -74.55 -54.83 6.73 Favored 'General case' 0 C--O 1.22 -0.5 0 O-C-N 122.013 -0.43 . . . . 0.0 110.394 177.722 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 73' ' ' PHE . . . . . . . . . . . . . 68.2 t80 -64.01 -28.19 69.63 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-O 120.982 0.42 . . . . 0.0 111.11 -176.837 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 74' ' ' LEU . . . . . 0.433 ' HB3' HG13 ' A' ' 34' ' ' ILE . 93.3 mt -94.66 -28.46 15.34 Favored 'General case' 0 C--N 1.323 -0.563 0 N-CA-C 112.626 0.602 . . . . 0.0 112.626 -175.15 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 75' ' ' PHE . . . . . 0.472 ' HB2' ' O ' ' A' ' 71' ' ' VAL . 77.4 m-85 -115.95 -43.7 2.97 Favored 'General case' 0 N--CA 1.468 0.463 0 O-C-N 122.037 -0.414 . . . . 0.0 112.004 -178.615 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 6.5 mm-40 65.05 101.09 0.04 OUTLIER 'General case' 0 N--CA 1.463 0.221 0 O-C-N 123.735 0.647 . . . . 0.0 111.743 -175.946 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . 128.31 48.03 0.17 Allowed Glycine 0 N--CA 1.448 -0.552 0 C-N-CA 120.728 -0.748 . . . . 0.0 112.583 178.201 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 78' ' ' LYS . . . . . 0.508 ' HD2' ' HB ' ' A' ' 71' ' ' VAL . 42.2 mtpt -78.68 170.46 16.62 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 121.156 0.503 . . . . 0.0 111.064 179.539 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 79' ' ' ASP . . . . . . . . . . . . . 50.6 m-20 -90.75 -24.85 20.25 Favored 'General case' 0 C--N 1.323 -0.548 0 N-CA-C 109.336 -0.616 . . . . 0.0 109.336 173.14 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 80' ' ' VAL . . . . . . . . . . . . . 46.4 t -80.71 116.78 25.54 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.344 0 CA-C-N 115.366 -0.834 . . . . 0.0 109.064 172.923 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 81' ' ' HIS . . . . . . . . . . . . . 56.0 m80 -80.32 129.34 34.44 Favored 'General case' 0 C--N 1.324 -0.536 0 CA-C-N 116.283 -0.417 . . . . 0.0 111.353 -172.631 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 82' ' ' ILE . . . . . 0.415 HG12 ' HB3' ' A' ' 68' ' ' GLN . 25.0 mt -99.98 88.06 1.48 Allowed 'Isoleucine or valine' 0 C--N 1.323 -0.584 0 CA-C-O 121.3 0.571 . . . . 0.0 109.934 176.887 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 9.1 pt-20 -150.8 -39.97 0.13 Allowed 'General case' 0 C--N 1.319 -0.744 0 CA-C-N 115.344 -0.844 . . . . 0.0 109.584 -179.826 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 84' ' ' GLY . . . . . . . . . . . . . . . -132.36 126.47 4.56 Favored Glycine 0 N--CA 1.44 -1.038 0 N-CA-C 110.714 -0.955 . . . . 0.0 110.714 174.605 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 85' ' ' TYR . . . . . . . . . . . . . 95.4 m-85 -83.54 82.55 8.25 Favored 'General case' 0 C--N 1.321 -0.641 0 CA-C-O 121.204 0.525 . . . . 0.0 110.399 -178.978 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 86' ' ' THR . . . . . . . . . . . . . 6.8 m -75.17 113.25 23.46 Favored Pre-proline 0 C--N 1.323 -0.547 0 CA-C-N 115.348 -0.842 . . . . 0.0 110.869 -179.376 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 87' ' ' PRO . . . . . . . . . . . . . 88.4 Cg_endo -87.78 -23.08 1.37 Allowed 'Trans proline' 0 N--CA 1.458 -0.576 0 C-N-CA 122.643 2.229 . . . . 0.0 113.117 179.945 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 88' ' ' GLU . . . . . . . . . . . . . 40.2 mt-10 -143.42 148.6 36.4 Favored 'General case' 0 C--N 1.33 -0.258 0 N-CA-C 110.134 -0.321 . . . . 0.0 110.134 -177.08 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 89' ' ' ASP . . . . . . . . . . . . . 38.0 t70 65.04 87.45 0.12 Allowed 'General case' 0 N--CA 1.468 0.433 0 O-C-N 123.898 0.748 . . . . 0.0 111.667 177.285 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 67.6 mttm -70.23 137.24 50.69 Favored 'General case' 0 C--N 1.328 -0.365 0 N-CA-C 109.317 -0.623 . . . . 0.0 109.317 175.665 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 91' ' ' LYS . . . . . . . . . . . . . 25.6 mmmt . . . . . 0 C--O 1.247 0.922 0 CA-C-O 118.966 -0.54 . . . . 0.0 110.083 -175.938 . . . . . . . . 0 0 . 1 . 014 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 2.9 mmt . . . . . 0 N--CA 1.483 1.181 0 CA-C-O 120.653 0.263 . . . . 0.0 110.602 . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 15.1 m -112.86 120.33 41.07 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-N 116.505 -0.316 . . . . 0.0 111.346 -175.141 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 3' ' ' ARG . . . . . . . . . . . . . 59.8 ttp180 -96.63 91.44 5.74 Favored 'General case' 0 C--N 1.325 -0.494 0 N-CA-C 108.779 -0.823 . . . . 0.0 108.779 171.93 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 1.7 m -93.65 125.43 38.26 Favored 'General case' 0 C--N 1.318 -0.789 0 CA-C-N 115.542 -0.754 . . . . 0.0 110.23 -175.739 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 5' ' ' ILE . . . . . . . . . . . . . 2.7 pp -129.75 174.03 13.2 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.571 0 CA-C-O 120.986 0.422 . . . . 0.0 111.317 -175.184 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 6' ' ' PHE . . . . . . . . . . . . . 98.7 m-85 -92.59 106.09 18.13 Favored 'General case' 0 C--N 1.321 -0.656 0 N-CA-C 109.54 -0.541 . . . . 0.0 109.54 175.373 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 7' ' ' CYS . . . . . 0.57 ' SG ' ' HB2' ' A' ' 10' ' ' LEU . 13.8 p -82.4 140.15 33.63 Favored 'General case' 0 C--N 1.323 -0.582 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.662 -177.968 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 12.7 p -75.36 -20.27 59.1 Favored 'General case' 0 C--N 1.326 -0.442 0 N-CA-C 112.644 0.609 . . . . 0.0 112.644 -175.635 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 9' ' ' TYR . . . . . . . . . . . . . 47.1 t80 -74.71 -50.05 18.93 Favored 'General case' 0 C--N 1.327 -0.398 0 C-N-CA 120.683 -0.407 . . . . 0.0 110.732 178.239 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 10' ' ' LEU . . . . . 0.57 ' HB2' ' SG ' ' A' ' 7' ' ' CYS . 68.7 mt -86.59 -19.16 29.79 Favored 'General case' 0 C--N 1.325 -0.468 0 CA-C-N 116.459 -0.337 . . . . 0.0 110.578 -179.018 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 74.4 mm-40 63.13 28.11 15.91 Favored 'General case' 0 C--O 1.233 0.194 0 CA-C-N 115.684 -0.689 . . . . 0.0 111.166 179.713 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 29.5 ptt180 -155.27 176.73 12.19 Favored 'General case' 0 N--CA 1.448 -0.54 0 CA-C-O 121.211 0.529 . . . . 0.0 111.295 177.948 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 20.7 t70 -66.51 123.97 21.49 Favored 'General case' 0 C--N 1.323 -0.561 0 CA-C-N 114.707 -1.133 . . . . 0.0 111.853 -173.441 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -156.5 168.03 28.63 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.279 -179.167 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 15' ' ' GLU . . . . . 0.553 ' O ' ' HA ' ' A' ' 35' ' ' SER . 9.1 mp0 -70.01 125.3 26.34 Favored 'General case' 0 CA--C 1.514 -0.432 0 N-CA-C 110.188 -0.301 . . . . 0.0 110.188 -179.274 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . -71.66 160.42 54.05 Favored Glycine 0 N--CA 1.447 -0.624 0 C-N-CA 120.579 -0.82 . . . . 0.0 111.44 177.057 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 17' ' ' GLN . . . . . 0.471 ' NE2' ' HA ' ' A' ' 36' ' ' LYS . 9.3 tp-100 -66.54 163.61 18.3 Favored 'General case' 0 C--N 1.327 -0.412 0 N-CA-C 109.321 -0.622 . . . . 0.0 109.321 177.902 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 11.5 t70 -73.71 -94.29 0.02 OUTLIER 'General case' 0 C--N 1.327 -0.371 0 N-CA-C 112.849 0.685 . . . . 0.0 112.849 -168.32 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 24.2 m-85 -147.74 -171.55 3.84 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 121.07 0.462 . . . . 0.0 111.94 -174.443 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 13.9 mm100 -70.87 93.88 1.01 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 115.249 -0.887 . . . . 0.0 110.921 -178.106 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -107.58 -2.49 20.25 Favored 'General case' 0 C--N 1.321 -0.659 0 CA-C-N 115.955 -0.566 . . . . 0.0 111.498 179.27 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 22' ' ' TYR . . . . . 0.491 ' HB3' ' HD3' ' A' ' 23' ' ' PRO . 71.1 t80 -168.28 -54.54 0.0 OUTLIER Pre-proline 0 CA--C 1.538 0.509 0 N-CA-C 112.519 0.563 . . . . 0.0 112.519 -179.428 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 23' ' ' PRO . . . . . 0.491 ' HD3' ' HB3' ' A' ' 22' ' ' TYR . 2.8 Cg_endo -84.47 -178.61 3.44 Favored 'Trans proline' 0 C--N 1.357 0.985 0 C-N-CA 122.133 1.889 . . . . 0.0 112.736 -174.112 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -111.09 -128.16 5.26 Favored Glycine 0 N--CA 1.45 -0.381 0 C-N-CA 120.968 -0.634 . . . . 0.0 112.962 -177.946 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 25' ' ' GLU . . . . . 0.42 ' O ' ' HG2' ' A' ' 28' ' ' LYS . 0.8 OUTLIER -58.89 -46.81 86.94 Favored 'General case' 0 N--CA 1.465 0.289 0 N-CA-C 112.497 0.554 . . . . 0.0 112.497 -174.422 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 91.3 mt -64.46 -34.55 78.46 Favored 'General case' 0 C--N 1.326 -0.455 0 CA-C-O 120.714 0.292 . . . . 0.0 110.35 179.4 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 27' ' ' GLY . . . . . 0.447 ' HA3' ' HB2' ' A' ' 23' ' ' PRO . . . -60.09 -55.87 27.85 Favored Glycine 0 N--CA 1.445 -0.766 0 C-N-CA 120.771 -0.728 . . . . 0.0 111.794 178.383 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 28' ' ' LYS . . . . . 0.42 ' HG2' ' O ' ' A' ' 25' ' ' GLU . 47.6 pttt -64.33 -35.65 81.57 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.585 0.231 . . . . 0.0 110.69 -177.934 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 59.8 ttt180 -57.99 -54.99 40.68 Favored 'General case' 0 N--CA 1.454 -0.263 0 N-CA-C 109.991 -0.374 . . . . 0.0 109.991 177.512 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 30' ' ' ILE . . . . . . . . . . . . . 88.2 mt -62.57 -37.65 79.45 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.422 0 CA-C-N 115.661 -0.7 . . . . 0.0 110.858 -179.34 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 31' ' ' TYR . . . . . . . . . . . . . 15.5 m-30 -61.68 -26.51 68.07 Favored 'General case' 0 C--N 1.327 -0.384 0 N-CA-C 111.749 0.278 . . . . 0.0 111.749 -179.191 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 32' ' ' ASN . . . . . . . . . . . . . 26.5 m-80 -87.72 -5.65 58.57 Favored 'General case' 0 C--N 1.326 -0.449 0 N-CA-C 112.063 0.394 . . . . 0.0 112.063 -179.7 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 33' ' ' GLU . . . . . 0.463 ' O ' ' HA ' ' A' ' 7' ' ' CYS . 8.7 pt-20 -132.43 13.93 4.55 Favored 'General case' 0 C--N 1.326 -0.439 0 CA-C-O 121.125 0.488 . . . . 0.0 111.178 178.612 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 34' ' ' ILE . . . . . 0.445 HD13 ' HA ' ' A' ' 34' ' ' ILE . 11.7 mm -135.14 133.61 53.11 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.424 0 CA-C-O 121.256 0.551 . . . . 0.0 110.665 178.025 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 35' ' ' SER . . . . . 0.553 ' HA ' ' O ' ' A' ' 15' ' ' GLU . 15.6 t -74.28 158.2 34.47 Favored 'General case' 0 C--N 1.323 -0.578 0 CA-C-N 115.144 -0.934 . . . . 0.0 111.88 -176.207 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 36' ' ' LYS . . . . . 0.471 ' HA ' ' NE2' ' A' ' 17' ' ' GLN . 32.1 mmtp -50.85 -42.49 58.7 Favored 'General case' 0 C--O 1.232 0.159 0 CA-C-N 115.269 -0.878 . . . . 0.0 109.67 169.993 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 2.5 m-20 -64.77 -56.81 11.31 Favored 'General case' 0 CA--C 1.518 -0.281 0 CA-C-N 115.186 -0.916 . . . . 0.0 110.472 179.373 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -56.83 -44.91 82.53 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 115.642 -0.708 . . . . 0.0 112.056 -175.325 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 39' ' ' TRP . . . . . . . . . . . . . 76.8 t-105 -64.08 -43.54 95.11 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-O 120.981 0.42 . . . . 0.0 110.732 -178.953 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -67.58 -40.52 84.84 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 115.938 -0.574 . . . . 0.0 110.753 -179.55 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 90.4 mt-30 -57.7 -45.6 85.46 Favored 'General case' 0 C--N 1.331 -0.21 0 CA-C-N 115.822 -0.626 . . . . 0.0 111.166 178.992 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 42' ' ' TRP . . . . . . . . . . . . . 25.1 t-105 -62.64 -49.48 75.01 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.444 -0.343 . . . . 0.0 111.189 -179.901 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 43' ' ' GLN . . . . . . . . . . . . . 41.2 mt-30 -60.42 -42.56 96.28 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-O 120.914 0.388 . . . . 0.0 110.29 179.771 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 44' ' ' HIS . . . . . . . . . . . . . 8.2 t-160 -60.18 -47.49 85.72 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 115.769 -0.65 . . . . 0.0 110.105 179.383 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 17.3 tppt? -61.44 -52.42 64.61 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 115.434 -0.803 . . . . 0.0 110.738 178.727 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 46' ' ' GLN . . . . . 0.561 ' O ' HG13 ' A' ' 50' ' ' ILE . 6.6 tp-100 -62.93 -37.25 86.26 Favored 'General case' 0 C--O 1.22 -0.461 0 CA-C-N 116.347 -0.388 . . . . 0.0 111.297 -176.476 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 89.0 m -56.42 -44.92 80.82 Favored 'General case' 0 C--O 1.237 0.422 0 CA-C-O 121.198 0.523 . . . . 0.0 110.421 176.919 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 48' ' ' MET . . . . . . . . . . . . . 26.9 ttt -63.0 -44.64 95.46 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 115.74 -0.664 . . . . 0.0 110.007 176.425 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 8.5 mp -61.51 -38.33 86.95 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 115.961 -0.563 . . . . 0.0 111.747 -179.835 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 50' ' ' ILE . . . . . 0.561 HG13 ' O ' ' A' ' 46' ' ' GLN . 76.4 mt -62.71 -36.71 76.58 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.428 0 CA-C-O 120.75 0.31 . . . . 0.0 110.458 178.176 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 51' ' ' ASN . . . . . . . . . . . . . 87.7 m-20 -76.44 -26.99 56.04 Favored 'General case' 0 C--N 1.323 -0.555 0 CA-C-N 116.381 -0.372 . . . . 0.0 111.208 178.449 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 13.3 mm-40 -84.09 -48.65 9.66 Favored 'General case' 0 C--N 1.324 -0.536 0 CA-C-N 116.344 -0.389 . . . . 0.0 111.397 -179.453 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 93.9 mttt -73.33 -28.95 62.36 Favored 'General case' 0 C--N 1.324 -0.502 0 N-CA-C 109.568 -0.53 . . . . 0.0 109.568 178.447 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 97.3 mttt 51.33 77.39 0.14 Allowed 'General case' 0 C--O 1.234 0.248 0 CA-C-N 115.128 -0.942 . . . . 0.0 111.077 -175.028 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 55' ' ' LEU . . . . . 0.441 ' O ' HD12 ' A' ' 55' ' ' LEU . 2.8 pp -126.0 155.31 41.64 Favored 'General case' 0 C--N 1.322 -0.601 0 CA-C-N 114.697 -1.138 . . . . 0.0 110.866 -177.137 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 56' ' ' ASN . . . . . . . . . . . . . 9.2 m120 -98.39 119.82 37.73 Favored 'General case' 0 C--N 1.323 -0.584 0 CA-C-N 115.805 -0.634 . . . . 0.0 109.834 179.13 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 57' ' ' MET . . . . . . . . . . . . . 21.1 mmt -74.41 -7.26 52.31 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-O 120.97 0.414 . . . . 0.0 111.165 179.25 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 58' ' ' MET . . . . . . . . . . . . . 1.9 mpt? -64.78 -32.53 74.26 Favored 'General case' 0 C--N 1.327 -0.413 0 CA-C-N 115.941 -0.572 . . . . 0.0 110.402 176.666 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 59' ' ' ASN . . . . . . . . . . . . . 15.1 m120 -81.61 136.31 35.54 Favored 'General case' 0 C--N 1.325 -0.477 0 CA-C-N 115.936 -0.574 . . . . 0.0 110.32 -179.181 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -58.73 -30.39 67.43 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.15 -179.433 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 48.5 mt-10 -46.28 -55.99 6.43 Favored 'General case' 0 N--CA 1.464 0.244 0 CA-C-N 115.682 -0.69 . . . . 0.0 111.233 174.958 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 62' ' ' HIS . . . . . . . . . . . . . 29.2 m80 -85.38 -21.07 29.01 Favored 'General case' 0 C--N 1.323 -0.562 0 CA-C-N 115.206 -0.906 . . . . 0.0 110.847 -171.961 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 63' ' ' ARG . . . . . . . . . . . . . 22.7 tpp180 -65.28 -50.44 65.73 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.225 178.345 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 64' ' ' LYS . . . . . 0.55 ' O ' ' HG3' ' A' ' 68' ' ' GLN . 45.4 pttt -75.13 -26.77 59.44 Favored 'General case' 0 C--N 1.327 -0.387 0 C-N-CA 120.37 -0.532 . . . . 0.0 109.973 179.081 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 65' ' ' LEU . . . . . 0.427 ' O ' ' HG3' ' A' ' 69' ' ' GLU . 60.9 tp -59.42 -46.42 88.77 Favored 'General case' 0 C--O 1.233 0.196 0 N-CA-C 109.749 -0.463 . . . . 0.0 109.749 174.868 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 54.7 tp -54.87 -46.1 74.67 Favored 'General case' 0 N--CA 1.454 -0.25 0 CA-C-N 115.663 -0.699 . . . . 0.0 110.435 174.774 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 67' ' ' GLU . . . . . 0.478 ' O ' HG23 ' A' ' 71' ' ' VAL . 35.8 tt0 -59.07 -50.95 72.1 Favored 'General case' 0 C--N 1.331 -0.239 0 CA-C-N 115.973 -0.558 . . . . 0.0 110.826 178.248 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 68' ' ' GLN . . . . . 0.55 ' HG3' ' O ' ' A' ' 64' ' ' LYS . 23.4 mt-30 -58.94 -44.66 91.44 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.36 -0.382 . . . . 0.0 111.193 -177.836 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 69' ' ' GLU . . . . . 0.427 ' HG3' ' O ' ' A' ' 65' ' ' LEU . 33.2 mt-10 -66.44 -39.16 88.73 Favored 'General case' 0 C--N 1.331 -0.198 0 CA-C-O 120.873 0.368 . . . . 0.0 110.239 178.618 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 70' ' ' MET . . . . . . . . . . . . . 49.8 ttm -62.54 -48.55 79.03 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.847 179.961 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 71' ' ' VAL . . . . . 0.478 HG23 ' O ' ' A' ' 67' ' ' GLU . 59.5 t -65.88 -24.69 34.6 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 CA-C-N 115.741 -0.663 . . . . 0.0 110.57 -179.772 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 9.3 t -79.71 -33.54 40.86 Favored 'General case' 0 C--N 1.323 -0.56 0 CA-C-O 120.832 0.348 . . . . 0.0 110.673 178.746 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 73' ' ' PHE . . . . . . . . . . . . . 64.0 t80 -86.58 -51.39 6.19 Favored 'General case' 0 C--N 1.324 -0.535 0 CA-C-N 116.326 -0.397 . . . . 0.0 111.522 -174.871 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 74' ' ' LEU . . . . . . . . . . . . . 96.1 mt -92.56 -36.95 12.74 Favored 'General case' 0 C--N 1.324 -0.517 0 N-CA-C 112.087 0.403 . . . . 0.0 112.087 -172.992 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 75' ' ' PHE . . . . . 0.426 ' HB3' ' O ' ' A' ' 71' ' ' VAL . 21.3 t80 -90.73 -42.7 10.56 Favored 'General case' 0 C--N 1.323 -0.544 0 CA-C-N 116.362 -0.381 . . . . 0.0 110.929 -172.477 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 21.8 mm-40 63.28 24.25 14.19 Favored 'General case' 0 N--CA 1.467 0.397 0 CA-C-N 115.851 -0.613 . . . . 0.0 111.488 -179.01 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . -134.76 65.78 0.57 Allowed Glycine 0 N--CA 1.448 -0.504 0 N-CA-C 111.375 -0.69 . . . . 0.0 111.375 177.452 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -119.79 128.98 54.23 Favored 'General case' 0 C--N 1.323 -0.575 0 CA-C-O 121.296 0.569 . . . . 0.0 111.517 -176.235 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 79' ' ' ASP . . . . . . . . . . . . . 7.7 m-20 -101.12 -21.02 15.08 Favored 'General case' 0 C--N 1.321 -0.641 0 CA-C-N 115.387 -0.824 . . . . 0.0 109.987 178.45 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 80' ' ' VAL . . . . . . . . . . . . . 18.9 t -65.82 129.68 30.36 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 115.567 -0.742 . . . . 0.0 110.567 -178.517 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 81' ' ' HIS . . . . . . . . . . . . . 36.5 m170 -70.51 117.63 12.29 Favored 'General case' 0 C--N 1.325 -0.458 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.459 -178.88 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 82' ' ' ILE . . . . . 0.488 ' HA ' ' NE2' ' A' ' 68' ' ' GLN . 24.8 mt -85.02 113.03 22.89 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.41 0 CA-C-N 115.966 -0.561 . . . . 0.0 110.527 -178.057 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 24.8 tt0 -166.57 -51.95 0.03 OUTLIER 'General case' 0 C--N 1.326 -0.422 0 CA-C-N 115.946 -0.57 . . . . 0.0 109.686 179.923 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 84' ' ' GLY . . . . . . . . . . . . . . . 144.07 148.77 4.94 Favored Glycine 0 N--CA 1.447 -0.589 0 CA-C-N 115.635 -0.711 . . . . 0.0 111.682 177.68 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 85' ' ' TYR . . . . . . . . . . . . . 85.6 m-85 58.14 -159.25 0.27 Allowed 'General case' 0 C--O 1.237 0.397 0 O-C-N 123.709 0.299 . . . . 0.0 110.618 179.878 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 86' ' ' THR . . . . . 0.482 HG21 ' HA ' ' A' ' 90' ' ' LYS . 49.4 m -82.26 115.58 58.59 Favored Pre-proline 0 C--N 1.322 -0.624 0 N-CA-C 108.933 -0.765 . . . . 0.0 108.933 173.206 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 87' ' ' PRO . . . . . 0.489 ' HB2' ' OE2' ' A' ' 88' ' ' GLU . 8.6 Cg_endo -48.84 -69.97 0.07 OUTLIER 'Trans proline' 0 C--N 1.345 0.39 0 C-N-CA 123.554 2.836 . . . . 0.0 114.083 -168.781 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 88' ' ' GLU . . . . . 0.489 ' OE2' ' HB2' ' A' ' 87' ' ' PRO . 1.1 pm0 -114.71 -75.06 0.59 Allowed 'General case' 0 C--N 1.328 -0.347 0 N-CA-C 112.466 0.543 . . . . 0.0 112.466 -176.912 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 89' ' ' ASP . . . . . 0.48 ' H ' ' HG2' ' A' ' 88' ' ' GLU . 28.2 t70 -101.99 127.3 48.91 Favored 'General case' 0 C--N 1.324 -0.528 0 CA-C-O 120.832 0.348 . . . . 0.0 110.963 -174.264 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 90' ' ' LYS . . . . . 0.482 ' HA ' HG21 ' A' ' 86' ' ' THR . 62.4 mttp -85.85 117.59 24.81 Favored 'General case' 0 C--N 1.325 -0.468 0 CA-C-N 116.02 -0.536 . . . . 0.0 110.733 178.978 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 91' ' ' LYS . . . . . . . . . . . . . 49.4 mtmt . . . . . 0 C--O 1.25 1.112 0 CA-C-O 118.232 -0.889 . . . . 0.0 109.441 174.57 . . . . . . . . 0 0 . 1 . 015 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 11.7 tpt . . . . . 0 N--CA 1.483 1.191 0 CA-C-O 120.657 0.265 . . . . 0.0 110.347 . . . . . . . . . 0 0 . 1 . 015 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 11.3 m 66.12 -177.54 0.19 Allowed 'General case' 0 CA--C 1.532 0.274 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.122 -177.837 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 3' ' ' ARG . . . . . . . . . . . . . 17.9 ptp180 -84.45 125.88 32.76 Favored 'General case' 0 C--N 1.326 -0.418 0 C-N-CA 120.564 -0.454 . . . . 0.0 110.495 178.405 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 9.0 p -86.58 104.01 15.62 Favored 'General case' 0 C--N 1.322 -0.594 0 CA-C-N 115.835 -0.62 . . . . 0.0 110.6 179.647 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 5' ' ' ILE . . . . . . . . . . . . . 2.8 pp -118.04 167.44 11.26 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.667 0 CA-C-N 115.778 -0.646 . . . . 0.0 111.468 -174.809 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 6' ' ' PHE . . . . . . . . . . . . . 99.5 m-85 -93.23 101.15 13.41 Favored 'General case' 0 C--N 1.323 -0.555 0 CA-C-N 116.215 -0.448 . . . . 0.0 109.81 178.248 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 7' ' ' CYS . . . . . 0.438 ' HA ' ' O ' ' A' ' 33' ' ' GLU . 53.5 t -72.7 130.57 40.82 Favored 'General case' 0 C--N 1.324 -0.512 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.69 -178.053 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 3.6 p -64.65 -41.34 96.18 Favored 'General case' 0 C--N 1.326 -0.45 0 CA-C-N 116.088 -0.506 . . . . 0.0 112.006 -178.262 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 9' ' ' TYR . . . . . . . . . . . . . 66.1 t80 -75.48 -37.94 59.91 Favored 'General case' 0 C--N 1.324 -0.508 0 CA-C-N 116.458 -0.337 . . . . 0.0 111.102 -176.612 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 98.6 mt -84.93 -32.95 22.81 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.569 -0.287 . . . . 0.0 111.73 -177.143 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 86.0 mm-40 62.71 32.15 16.28 Favored 'General case' 0 N--CA 1.464 0.244 0 CA-C-O 121.461 0.648 . . . . 0.0 110.041 -174.156 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 27.9 mmt180 -135.52 176.37 8.74 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 115.105 -0.952 . . . . 0.0 109.627 -179.657 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 10.8 m-20 -84.75 121.6 27.92 Favored 'General case' 0 C--N 1.324 -0.531 0 N-CA-C 108.968 -0.753 . . . . 0.0 108.968 173.961 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -140.95 173.34 11.58 Favored 'General case' 0 C--N 1.318 -0.783 0 CA-C-N 116.433 -0.348 . . . . 0.0 110.296 -178.087 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 11.3 pt-20 -78.23 144.02 36.61 Favored 'General case' 0 C--N 1.323 -0.545 0 N-CA-C 110.078 -0.341 . . . . 0.0 110.078 179.601 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . -77.49 41.01 1.82 Allowed Glycine 0 C--O 1.229 -0.166 0 C-N-CA 121.183 -0.532 . . . . 0.0 112.792 179.045 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 17' ' ' GLN . . . . . . . . . . . . . 15.8 pt20 43.75 -151.94 0.03 OUTLIER 'General case' 0 CA--C 1.541 0.623 0 C-N-CA 124.766 1.227 . . . . 0.0 113.391 175.625 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 2.5 m-20 -68.77 176.49 3.0 Favored 'General case' 0 N--CA 1.465 0.303 0 CA-C-O 121.534 0.683 . . . . 0.0 112.338 -177.856 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 63.0 t80 -90.78 164.12 14.21 Favored 'General case' 0 C--N 1.324 -0.503 0 CA-C-N 115.297 -0.865 . . . . 0.0 110.198 179.77 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 15.4 mm100 -44.92 127.54 6.51 Favored 'General case' 0 N--CA 1.465 0.321 0 O-C-N 123.81 0.694 . . . . 0.0 112.109 178.026 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 3.4 mp -101.84 -69.62 0.78 Allowed 'General case' 0 C--N 1.326 -0.415 0 CA-C-N 116.011 -0.54 . . . . 0.0 109.597 178.604 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 22' ' ' TYR . . . . . 0.574 ' H ' ' HD2' ' A' ' 23' ' ' PRO . 58.6 m-85 -140.71 -44.43 0.02 OUTLIER Pre-proline 0 C--N 1.326 -0.451 0 CA-C-N 115.567 -0.742 . . . . 0.0 111.963 -178.267 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 23' ' ' PRO . . . . . 0.574 ' HD2' ' H ' ' A' ' 22' ' ' TYR . 48.1 Cg_exo -58.06 136.81 77.3 Favored 'Trans proline' 0 C--N 1.359 1.081 0 C-N-CA 121.646 1.564 . . . . 0.0 111.822 174.296 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -89.24 -111.88 1.28 Allowed Glycine 0 N--CA 1.449 -0.485 0 C-N-CA 120.916 -0.659 . . . . 0.0 113.402 -171.794 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 29.9 mm-40 -64.58 -37.1 86.39 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.803 0.335 . . . . 0.0 110.993 -175.38 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 56.6 tp -69.1 -36.13 77.21 Favored 'General case' 0 C--N 1.323 -0.573 0 CA-C-N 116.311 -0.404 . . . . 0.0 110.0 177.414 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 27' ' ' GLY . . . . . 0.493 ' HA3' ' HB2' ' A' ' 23' ' ' PRO . . . -61.71 -57.62 16.83 Favored Glycine 0 N--CA 1.448 -0.557 0 C-N-CA 120.972 -0.632 . . . . 0.0 112.15 179.073 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 17.6 ptpt -60.47 -31.13 70.16 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-O 120.829 0.347 . . . . 0.0 110.905 -178.657 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 78.7 ttt180 -62.28 -39.26 92.38 Favored 'General case' 0 C--N 1.332 -0.193 0 CA-C-N 115.837 -0.62 . . . . 0.0 110.443 178.558 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 30' ' ' ILE . . . . . . . . . . . . . 70.5 mt -79.23 -43.6 24.0 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.565 0 CA-C-N 116.303 -0.408 . . . . 0.0 110.264 179.13 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 31' ' ' TYR . . . . . 0.424 ' HE1' ' CH2' ' A' ' 39' ' ' TRP . 16.7 m-30 -65.54 -28.21 69.0 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.151 -0.477 . . . . 0.0 112.261 -173.628 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 32' ' ' ASN . . . . . . . . . . . . . 0.0 OUTLIER -93.23 1.36 57.1 Favored 'General case' 0 C--N 1.329 -0.322 0 C-N-CA 120.112 -0.635 . . . . 0.0 111.535 -177.82 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 33' ' ' GLU . . . . . 0.438 ' O ' ' HA ' ' A' ' 7' ' ' CYS . 45.4 mt-10 -124.1 0.96 8.53 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-O 121.436 0.636 . . . . 0.0 110.277 176.074 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 34' ' ' ILE . . . . . 0.439 HG13 ' HB3' ' A' ' 74' ' ' LEU . 9.3 mm -129.97 139.57 51.17 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.507 0 CA-C-N 115.407 -0.815 . . . . 0.0 109.804 176.597 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 9.4 t -100.46 171.08 7.96 Favored 'General case' 0 N--CA 1.442 -0.833 0 CA-C-O 121.558 0.694 . . . . 0.0 111.199 -179.501 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 19.9 ttmm -58.14 -32.58 68.29 Favored 'General case' 0 C--N 1.317 -0.815 0 CA-C-N 114.363 -1.289 . . . . 0.0 112.223 -177.204 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 5.8 p-10 -70.95 -40.21 72.13 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-O 120.844 0.354 . . . . 0.0 110.557 -177.352 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -79.29 -38.4 35.44 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.897 179.803 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 39' ' ' TRP . . . . . 0.424 ' CH2' ' HE1' ' A' ' 31' ' ' TYR . 72.2 t-105 -61.43 -49.07 78.31 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 115.879 -0.6 . . . . 0.0 110.488 179.672 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -66.81 -36.89 83.42 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.525 179.668 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 6.3 tp-100 -56.3 -53.66 54.62 Favored 'General case' 0 C--O 1.233 0.204 0 CA-C-N 115.677 -0.692 . . . . 0.0 110.943 178.216 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 42' ' ' TRP . . . . . 0.555 ' HE1' ' HA ' ' A' ' 70' ' ' MET . 40.6 t-105 -79.28 -34.27 42.65 Favored 'General case' 0 N--CA 1.451 -0.401 0 C-N-CA 120.414 -0.514 . . . . 0.0 111.798 -173.294 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 43' ' ' GLN . . . . . . . . . . . . . 30.9 mt-30 -63.86 -39.99 95.5 Favored 'General case' 0 C--N 1.33 -0.278 0 C-N-CA 120.206 -0.598 . . . . 0.0 110.917 177.527 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 44' ' ' HIS . . . . . . . . . . . . . 69.7 t60 -63.04 -47.44 82.99 Favored 'General case' 0 C--N 1.324 -0.536 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.268 179.161 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 57.7 tptt -69.31 -42.63 75.14 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 115.635 -0.711 . . . . 0.0 111.078 -178.226 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 46' ' ' GLN . . . . . 0.531 ' O ' HG13 ' A' ' 50' ' ' ILE . 59.0 tp60 -61.21 -43.72 98.43 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 116.381 -0.372 . . . . 0.0 110.681 -179.505 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 29.7 m -61.32 -39.04 89.03 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.938 0.399 . . . . 0.0 110.437 179.05 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 48' ' ' MET . . . . . . . . . . . . . 52.2 tpp -68.21 -36.96 80.35 Favored 'General case' 0 C--N 1.332 -0.193 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.068 177.643 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 4.1 mp -63.33 -41.05 98.87 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.114 -0.493 . . . . 0.0 110.695 175.757 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 50' ' ' ILE . . . . . 0.531 HG13 ' O ' ' A' ' 46' ' ' GLN . 81.7 mt -62.08 -42.05 93.49 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.436 0 CA-C-O 121.064 0.459 . . . . 0.0 110.333 176.661 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 51' ' ' ASN . . . . . . . . . . . . . 26.1 t-20 -66.58 -35.83 81.16 Favored 'General case' 0 C--N 1.325 -0.488 0 CA-C-N 115.592 -0.731 . . . . 0.0 111.009 178.12 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 3.6 mm-40 -80.29 -46.99 15.24 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-N 115.868 -0.605 . . . . 0.0 112.405 -177.239 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 66.6 mttm -74.04 -22.09 59.69 Favored 'General case' 0 C--N 1.324 -0.536 0 N-CA-C 109.863 -0.421 . . . . 0.0 109.863 179.325 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 49.5 mttm 58.9 41.84 20.61 Favored 'General case' 0 CA--C 1.521 -0.153 0 CA-C-N 115.248 -0.887 . . . . 0.0 110.58 178.0 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 3.6 pp -88.73 150.76 22.81 Favored 'General case' 0 C--N 1.323 -0.545 0 CA-C-N 114.861 -1.063 . . . . 0.0 110.507 -178.624 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 56' ' ' ASN . . . . . 0.408 HD22 ' HA ' ' A' ' 56' ' ' ASN . 11.1 m120 -112.61 135.68 53.04 Favored 'General case' 0 C--N 1.324 -0.535 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.201 -179.001 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 57' ' ' MET . . . . . . . . . . . . . 1.2 mpt? -75.82 -1.18 23.98 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 115.836 -0.62 . . . . 0.0 110.088 175.596 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 58' ' ' MET . . . . . . . . . . . . . 81.2 mtp -63.95 -30.29 71.38 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 114.845 -1.07 . . . . 0.0 109.922 175.059 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 59' ' ' ASN . . . . . . . . . . . . . 3.9 m-20 -102.26 131.37 48.87 Favored 'General case' 0 C--O 1.238 0.452 0 CA-C-N 115.491 -0.777 . . . . 0.0 109.829 177.977 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -59.71 -27.33 66.36 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 116.147 -0.478 . . . . 0.0 111.924 -175.71 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 13.2 mm-40 -59.74 -30.66 68.99 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.309 -0.405 . . . . 0.0 111.587 179.945 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 62' ' ' HIS . . . . . . . . . . . . . 95.9 m-70 -92.24 -15.1 27.95 Favored 'General case' 0 C--N 1.322 -0.628 0 C-N-CA 120.363 -0.535 . . . . 0.0 110.892 -178.408 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 63' ' ' ARG . . . . . . . . . . . . . 5.4 tpm_? -73.34 -49.67 26.11 Favored 'General case' 0 C--N 1.324 -0.512 0 N-CA-C 109.074 -0.713 . . . . 0.0 109.074 172.403 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 16.9 ptpt -64.29 -29.38 70.47 Favored 'General case' 0 C--N 1.332 -0.184 0 CA-C-N 115.823 -0.626 . . . . 0.0 110.198 176.727 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -66.31 -44.88 82.17 Favored 'General case' 0 CA--C 1.532 0.264 0 CA-C-N 116.084 -0.507 . . . . 0.0 110.052 176.339 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 5.2 tt -59.49 -45.27 92.15 Favored 'General case' 0 C--O 1.236 0.343 0 N-CA-C 109.476 -0.564 . . . . 0.0 109.476 178.249 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 67' ' ' GLU . . . . . 0.424 ' O ' HG23 ' A' ' 71' ' ' VAL . 0.5 OUTLIER -54.22 -49.98 68.19 Favored 'General case' 0 C--N 1.332 -0.168 0 CA-C-N 115.747 -0.661 . . . . 0.0 110.37 173.888 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 68' ' ' GLN . . . . . . . . . . . . . 42.9 mt-30 -55.59 -60.64 3.14 Favored 'General case' 0 C--N 1.326 -0.45 0 CA-C-N 116.019 -0.537 . . . . 0.0 112.252 -179.108 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 48.1 mt-10 -59.27 -47.23 86.13 Favored 'General case' 0 C--O 1.235 0.336 0 CA-C-O 120.981 0.42 . . . . 0.0 111.662 -173.798 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 70' ' ' MET . . . . . 0.555 ' HA ' ' HE1' ' A' ' 42' ' ' TRP . 48.2 ttm -65.72 -46.99 76.86 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-N 116.268 -0.424 . . . . 0.0 111.735 -176.104 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 71' ' ' VAL . . . . . 0.424 HG23 ' O ' ' A' ' 67' ' ' GLU . 61.6 t -69.61 -27.27 33.14 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.43 0 C-N-CA 120.918 -0.313 . . . . 0.0 110.781 -177.717 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 72' ' ' SER . . . . . 0.464 ' OG ' ' HD2' ' A' ' 78' ' ' LYS . 24.6 m -65.79 -46.14 79.77 Favored 'General case' 0 N--CA 1.465 0.281 0 CA-C-O 120.82 0.343 . . . . 0.0 111.755 177.866 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 73' ' ' PHE . . . . . . . . . . . . . 46.5 t80 -81.84 -39.3 24.16 Favored 'General case' 0 C--N 1.325 -0.475 0 CA-C-N 116.114 -0.494 . . . . 0.0 111.669 -172.403 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 74' ' ' LEU . . . . . 0.439 ' HB3' HG13 ' A' ' 34' ' ' ILE . 95.4 mt -92.89 -40.9 10.35 Favored 'General case' 0 C--N 1.322 -0.629 0 N-CA-C 112.63 0.604 . . . . 0.0 112.63 -172.65 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 75' ' ' PHE . . . . . . . . . . . . . 30.5 t80 -105.53 -42.97 5.07 Favored 'General case' 0 C--N 1.326 -0.438 0 C-N-CA 120.807 -0.357 . . . . 0.0 111.856 -170.135 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 45.1 mt-10 65.66 15.33 10.0 Favored 'General case' 0 N--CA 1.469 0.478 0 C-N-CA 123.372 0.669 . . . . 0.0 112.129 179.79 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . -97.99 24.61 31.02 Favored Glycine 0 CA--C 1.517 0.16 0 C-N-CA 120.682 -0.77 . . . . 0.0 112.354 -178.827 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 78' ' ' LYS . . . . . 0.464 ' HD2' ' OG ' ' A' ' 72' ' ' SER . 0.0 OUTLIER -125.92 144.35 50.72 Favored 'General case' 0 C--N 1.321 -0.642 0 N-CA-C 110.136 -0.32 . . . . 0.0 110.136 179.46 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 79' ' ' ASP . . . . . . . . . . . . . 11.6 p-10 -107.6 1.7 23.45 Favored 'General case' 0 C--N 1.321 -0.636 0 CA-C-N 116.25 -0.432 . . . . 0.0 111.226 -177.703 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 80' ' ' VAL . . . . . . . . . . . . . 22.0 t -69.34 104.46 0.97 Allowed 'Isoleucine or valine' 0 C--N 1.327 -0.413 0 CA-C-N 116.635 -0.257 . . . . 0.0 110.554 -178.429 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 81' ' ' HIS . . . . . . . . . . . . . 6.6 p80 -63.25 125.08 22.93 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-O 121.001 0.429 . . . . 0.0 111.941 -177.032 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 82' ' ' ILE . . . . . . . . . . . . . 33.1 mt -96.86 132.83 40.37 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.259 0 CA-C-N 115.808 -0.633 . . . . 0.0 109.973 178.122 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 5.2 pt-20 -157.66 33.34 0.27 Allowed 'General case' 0 C--N 1.322 -0.601 0 CA-C-O 121.11 0.481 . . . . 0.0 110.099 179.905 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 84' ' ' GLY . . . . . . . . . . . . . . . 89.63 -96.08 2.17 Favored Glycine 0 N--CA 1.447 -0.568 0 CA-C-N 115.357 -0.838 . . . . 0.0 111.287 -177.545 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 85' ' ' TYR . . . . . . . . . . . . . 69.4 m-85 -121.15 102.7 8.48 Favored 'General case' 0 C--N 1.32 -0.7 0 CA-C-O 121.024 0.44 . . . . 0.0 109.98 176.676 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 86' ' ' THR . . . . . 0.423 ' HA ' ' HD3' ' A' ' 87' ' ' PRO . 10.0 t -112.08 139.84 22.84 Favored Pre-proline 0 C--N 1.319 -0.735 0 CA-C-N 115.908 -0.587 . . . . 0.0 109.572 -178.8 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 87' ' ' PRO . . . . . 0.423 ' HD3' ' HA ' ' A' ' 86' ' ' THR . 34.0 Cg_exo -59.26 110.66 0.73 Allowed 'Trans proline' 0 C--O 1.235 0.342 0 C-N-CA 122.567 2.178 . . . . 0.0 112.419 179.094 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 88' ' ' GLU . . . . . . . . . . . . . 52.6 tt0 -84.08 81.98 8.56 Favored 'General case' 0 C--N 1.322 -0.604 0 N-CA-C 109.3 -0.63 . . . . 0.0 109.3 177.163 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 89' ' ' ASP . . . . . . . . . . . . . 20.7 t70 -99.31 -64.65 1.02 Allowed 'General case' 0 C--N 1.324 -0.507 0 CA-C-N 115.552 -0.749 . . . . 0.0 111.288 -173.395 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 36.0 ttpt -69.26 115.45 8.55 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 116.317 -0.401 . . . . 0.0 110.301 -178.246 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 91' ' ' LYS . . . . . . . . . . . . . 14.8 tppt? . . . . . 0 C--O 1.25 1.085 0 CA-C-O 118.174 -0.917 . . . . 0.0 109.661 179.501 . . . . . . . . 0 0 . 1 . 016 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 56.9 mtt . . . . . 0 N--CA 1.481 1.085 0 N-CA-C 110.132 -0.322 . . . . 0.0 110.132 . . . . . . . . . 0 0 . 1 . 016 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 33.8 m -127.85 111.24 13.39 Favored 'General case' 0 C--N 1.322 -0.614 0 CA-C-N 116.422 -0.354 . . . . 0.0 110.727 179.737 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 3' ' ' ARG . . . . . . . . . . . . . 16.6 ptm180 -81.74 116.06 21.27 Favored 'General case' 0 N--CA 1.448 -0.539 0 N-CA-C 108.12 -1.067 . . . . 0.0 108.12 171.608 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 9.5 m -78.03 109.4 12.06 Favored 'General case' 0 C--N 1.317 -0.82 0 CA-C-N 115.777 -0.647 . . . . 0.0 110.9 -172.655 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 5' ' ' ILE . . . . . . . . . . . . . 2.6 pp -123.8 164.89 21.11 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.754 0 CA-C-N 115.457 -0.792 . . . . 0.0 110.385 -179.494 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 6' ' ' PHE . . . . . . . . . . . . . 86.2 m-85 -99.76 97.31 8.26 Favored 'General case' 0 C--N 1.32 -0.687 0 N-CA-C 109.508 -0.552 . . . . 0.0 109.508 176.28 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 7' ' ' CYS . . . . . 0.667 ' SG ' ' HB2' ' A' ' 10' ' ' LEU . 16.9 p -67.51 142.68 56.49 Favored 'General case' 0 C--N 1.322 -0.592 0 CA-C-N 115.345 -0.843 . . . . 0.0 111.573 -174.489 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 6.8 m -69.75 -27.13 64.68 Favored 'General case' 0 C--N 1.324 -0.54 0 CA-C-N 115.962 -0.563 . . . . 0.0 111.525 -177.872 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 9' ' ' TYR . . . . . . . . . . . . . 72.1 t80 -74.25 -53.22 10.22 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-N 116.517 -0.31 . . . . 0.0 111.264 -177.696 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 10' ' ' LEU . . . . . 0.667 ' HB2' ' SG ' ' A' ' 7' ' ' CYS . 89.9 mt -90.13 -18.58 25.56 Favored 'General case' 0 C--N 1.331 -0.236 0 N-CA-C 111.593 0.22 . . . . 0.0 111.593 -176.608 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 28.4 mm-40 68.52 9.15 7.12 Favored 'General case' 0 N--CA 1.469 0.513 0 C-N-CA 122.837 0.455 . . . . 0.0 111.716 179.322 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 49.2 mtt180 -131.02 -171.34 2.55 Favored 'General case' 0 C--N 1.327 -0.403 0 N-CA-C 110.455 -0.202 . . . . 0.0 110.455 -178.714 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 5.0 p-10 -65.19 136.3 56.48 Favored 'General case' 0 C--O 1.234 0.25 0 CA-C-O 121.243 0.544 . . . . 0.0 111.289 -176.178 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 14' ' ' ALA . . . . . 0.422 ' HB1' ' HB2' ' A' ' 35' ' ' SER . . . -156.98 179.36 9.37 Favored 'General case' 0 C--N 1.319 -0.737 0 CA-C-N 115.336 -0.847 . . . . 0.0 109.315 177.45 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 12.8 pt-20 -104.82 154.68 19.72 Favored 'General case' 0 C--N 1.323 -0.579 0 N-CA-C 110.198 -0.297 . . . . 0.0 110.198 -178.946 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . -61.12 134.99 48.75 Favored Glycine 0 N--CA 1.445 -0.705 0 C-N-CA 120.821 -0.704 . . . . 0.0 111.828 175.035 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 17' ' ' GLN . . . . . . . . . . . . . 0.8 OUTLIER -59.3 -43.0 92.64 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-O 120.918 0.389 . . . . 0.0 110.191 -178.502 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 3.7 t70 -177.18 -163.6 0.09 Allowed 'General case' 0 C--N 1.328 -0.348 0 N-CA-C 108.982 -0.747 . . . . 0.0 108.982 178.361 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -114.11 -171.95 2.0 Favored 'General case' 0 C--N 1.323 -0.585 0 N-CA-C 109.897 -0.409 . . . . 0.0 109.897 -179.213 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 15.4 mm100 -79.46 93.95 5.48 Favored 'General case' 0 C--N 1.322 -0.615 0 CA-C-O 120.98 0.419 . . . . 0.0 110.797 -179.031 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 21' ' ' LEU . . . . . 0.408 ' H ' HD12 ' A' ' 21' ' ' LEU . 0.9 OUTLIER -85.45 -56.34 3.56 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-N 115.972 -0.558 . . . . 0.0 109.989 178.487 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 22' ' ' TYR . . . . . 0.541 ' H ' ' CD ' ' A' ' 23' ' ' PRO . 98.5 m-85 -133.83 -49.63 0.03 OUTLIER Pre-proline 0 CA--C 1.537 0.453 0 CA-C-N 115.925 -0.58 . . . . 0.0 112.199 -177.155 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 23' ' ' PRO . . . . . 0.541 ' CD ' ' H ' ' A' ' 22' ' ' TYR . 22.9 Cg_exo -65.65 165.1 24.13 Favored 'Trans proline' 0 C--N 1.359 1.101 0 C-N-CA 122.002 1.801 . . . . 0.0 112.356 -178.299 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -112.02 -107.37 2.91 Favored Glycine 0 N--CA 1.448 -0.551 0 C-N-CA 120.77 -0.729 . . . . 0.0 112.898 -177.07 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 25' ' ' GLU . . . . . 0.438 ' HA ' ' HE2' ' A' ' 28' ' ' LYS . 16.7 pt-20 -61.1 -42.92 99.4 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.684 0.278 . . . . 0.0 111.65 -174.773 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 58.1 tp -70.45 -32.95 70.72 Favored 'General case' 0 C--N 1.326 -0.451 0 N-CA-C 109.535 -0.543 . . . . 0.0 109.535 179.376 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 27' ' ' GLY . . . . . 0.429 ' HA3' ' HB2' ' A' ' 23' ' ' PRO . . . -59.83 -58.87 11.96 Favored Glycine 0 N--CA 1.445 -0.754 0 CA-C-N 115.485 -0.78 . . . . 0.0 112.099 179.644 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 28' ' ' LYS . . . . . 0.438 ' HE2' ' HA ' ' A' ' 25' ' ' GLU . 61.5 pttt -60.81 -37.97 83.81 Favored 'General case' 0 C--N 1.326 -0.451 0 CA-C-O 120.391 0.138 . . . . 0.0 110.709 -177.084 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 75.4 ttt180 -56.35 -49.28 74.84 Favored 'General case' 0 C--O 1.226 -0.176 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.341 179.166 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 30' ' ' ILE . . . . . 0.434 ' O ' ' HB ' ' A' ' 34' ' ' ILE . 84.0 mt -73.14 -45.79 52.76 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.589 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.292 -178.339 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 31' ' ' TYR . . . . . . . . . . . . . 21.0 m-85 -63.59 -26.23 68.59 Favored 'General case' 0 C--N 1.325 -0.493 0 N-CA-C 112.734 0.642 . . . . 0.0 112.734 -173.732 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 32' ' ' ASN . . . . . . . . . . . . . 0.0 OUTLIER -103.73 0.25 30.27 Favored 'General case' 0 N--CA 1.465 0.314 0 C-N-CA 120.231 -0.588 . . . . 0.0 111.978 179.562 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 48.9 mt-10 -120.41 -4.11 9.9 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 121.072 0.463 . . . . 0.0 110.897 178.088 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 34' ' ' ILE . . . . . 0.441 HD13 ' HA ' ' A' ' 34' ' ' ILE . 4.7 mm -129.45 137.5 56.73 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.528 0 CA-C-O 121.187 0.518 . . . . 0.0 110.827 -179.177 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 35' ' ' SER . . . . . 0.422 ' HB2' ' HB1' ' A' ' 14' ' ' ALA . 47.2 t -94.57 169.98 9.8 Favored 'General case' 0 C--N 1.322 -0.607 0 CA-C-N 115.304 -0.862 . . . . 0.0 110.733 -178.418 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 33.6 mmtp -53.55 -44.28 69.11 Favored 'General case' 0 C--N 1.324 -0.519 0 CA-C-N 115.025 -0.989 . . . . 0.0 110.919 178.706 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 37' ' ' ASP . . . . . 0.447 ' O ' ' HG3' ' A' ' 41' ' ' GLN . 3.2 p-10 -68.0 -48.63 65.23 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-N 115.488 -0.778 . . . . 0.0 111.471 -176.607 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -59.65 -41.46 90.6 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-O 120.711 0.291 . . . . 0.0 111.114 -179.903 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 39' ' ' TRP . . . . . . . . . . . . . 57.6 t-105 -66.5 -42.8 86.83 Favored 'General case' 0 C--O 1.233 0.212 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.205 177.762 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -59.47 -46.76 87.87 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 115.823 -0.626 . . . . 0.0 110.738 179.646 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 41' ' ' GLN . . . . . 0.447 ' HG3' ' O ' ' A' ' 37' ' ' ASP . 27.5 mt-30 -57.32 -45.65 84.02 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 115.972 -0.558 . . . . 0.0 110.63 178.483 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 42' ' ' TRP . . . . . . . . . . . . . 8.2 t-105 -62.52 -59.06 5.48 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 115.764 -0.653 . . . . 0.0 111.603 -176.897 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 43' ' ' GLN . . . . . . . . . . . . . 4.4 mt-30 -65.24 -29.97 70.81 Favored 'General case' 0 C--N 1.327 -0.372 0 C-N-CA 120.789 -0.364 . . . . 0.0 111.614 -176.343 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 44' ' ' HIS . . . . . . . . . . . . . 20.4 t-80 -67.16 -47.78 69.97 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-O 120.916 0.388 . . . . 0.0 109.997 178.133 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 17.5 tppt? -61.74 -44.79 96.22 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 115.646 -0.706 . . . . 0.0 110.13 176.111 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 46' ' ' GLN . . . . . . . . . . . . . 33.9 tt0 -57.94 -48.6 79.44 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 115.476 -0.784 . . . . 0.0 111.161 179.362 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 99.9 m -53.18 -44.91 68.28 Favored 'General case' 0 C--O 1.236 0.356 0 CA-C-O 120.866 0.365 . . . . 0.0 111.086 178.437 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 48' ' ' MET . . . . . . . . . . . . . 43.1 tpp -63.25 -50.54 69.77 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.043 -0.526 . . . . 0.0 111.049 -179.785 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 10.2 mp -65.5 -36.91 85.25 Favored 'General case' 0 C--N 1.326 -0.419 0 N-CA-C 112.042 0.386 . . . . 0.0 112.042 -176.933 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 50' ' ' ILE . . . . . . . . . . . . . 1.5 mp -64.91 -35.62 75.75 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.4 0 CA-C-N 116.629 -0.26 . . . . 0.0 111.178 -179.797 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 51' ' ' ASN . . . . . . . . . . . . . 38.9 m-80 -86.3 -23.55 26.25 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-O 120.865 0.364 . . . . 0.0 110.834 179.781 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 38.0 tt0 -76.59 -56.43 4.62 Favored 'General case' 0 C--N 1.325 -0.482 0 CA-C-N 115.882 -0.599 . . . . 0.0 110.843 178.548 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 66.7 mttm -83.18 -7.28 59.64 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 115.766 -0.652 . . . . 0.0 111.005 -175.023 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 44.3 mtmt 60.99 67.38 0.81 Allowed 'General case' 0 N--CA 1.465 0.28 0 CA-C-N 115.825 -0.625 . . . . 0.0 110.682 179.858 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 54.4 mt -103.11 127.53 50.35 Favored 'General case' 0 C--N 1.324 -0.506 0 CA-C-N 115.653 -0.703 . . . . 0.0 109.991 -178.579 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 56' ' ' ASN . . . . . . . . . . . . . 20.2 m120 -108.84 139.71 43.29 Favored 'General case' 0 C--N 1.322 -0.619 0 CA-C-N 116.474 -0.33 . . . . 0.0 110.654 178.111 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 57' ' ' MET . . . . . . . . . . . . . 1.1 mpt? -84.65 10.61 10.73 Favored 'General case' 0 C--N 1.324 -0.527 0 CA-C-N 115.936 -0.575 . . . . 0.0 110.461 179.649 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 58' ' ' MET . . . . . . . . . . . . . 60.9 mtt -71.51 -28.85 64.18 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-N 115.577 -0.738 . . . . 0.0 109.527 175.101 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 59' ' ' ASN . . . . . . . . . . . . . 17.6 m120 -101.38 126.6 48.17 Favored 'General case' 0 C--N 1.326 -0.439 0 CA-C-N 115.569 -0.741 . . . . 0.0 109.963 178.06 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -64.39 -19.26 65.38 Favored 'General case' 0 C--N 1.326 -0.449 0 CA-C-O 120.965 0.412 . . . . 0.0 110.892 179.994 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 38.2 mt-10 -53.53 -54.03 43.06 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 115.728 -0.669 . . . . 0.0 110.609 176.672 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 62' ' ' HIS . . . . . . . . . . . . . 98.0 m-70 -80.19 -17.64 51.83 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.028 -0.533 . . . . 0.0 110.47 -176.971 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 63' ' ' ARG . . . . . 0.429 ' O ' ' HG ' ' A' ' 66' ' ' LEU . 29.8 tpt180 -65.16 -54.72 25.36 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.019 -0.537 . . . . 0.0 110.375 176.935 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 64' ' ' LYS . . . . . 0.436 ' O ' ' HG3' ' A' ' 68' ' ' GLN . 23.6 pttm -73.91 -22.78 59.57 Favored 'General case' 0 C--N 1.329 -0.297 0 C-N-CA 120.268 -0.573 . . . . 0.0 110.32 179.881 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 65' ' ' LEU . . . . . 0.405 HD22 ' HA ' ' A' ' 65' ' ' LEU . 1.5 tm? -61.83 -48.73 79.25 Favored 'General case' 0 C--N 1.331 -0.204 0 N-CA-C 109.611 -0.515 . . . . 0.0 109.611 176.416 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 66' ' ' LEU . . . . . 0.429 ' HG ' ' O ' ' A' ' 63' ' ' ARG . 2.1 pp -73.8 -21.31 60.19 Favored 'General case' 0 C--N 1.33 -0.242 0 C-N-CA 120.919 -0.313 . . . . 0.0 110.468 -179.356 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 35.6 tt0 -65.75 -45.77 81.35 Favored 'General case' 0 C--O 1.234 0.265 0 N-CA-C 109.105 -0.702 . . . . 0.0 109.105 174.115 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 68' ' ' GLN . . . . . 0.445 ' HB3' HG12 ' A' ' 82' ' ' ILE . 49.9 mt-30 -56.34 -48.9 75.82 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 115.377 -0.829 . . . . 0.0 110.2 174.704 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 6.1 mm-40 -59.63 -42.2 92.19 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 115.853 -0.612 . . . . 0.0 111.207 178.922 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 70' ' ' MET . . . . . . . . . . . . . 52.3 ttm -58.75 -50.15 75.0 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 115.858 -0.61 . . . . 0.0 110.653 -178.415 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 71' ' ' VAL . . . . . . . . . . . . . 58.8 t -61.06 -37.96 78.51 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.368 0 CA-C-N 115.952 -0.567 . . . . 0.0 110.372 178.322 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 72' ' ' SER . . . . . 0.469 ' OG ' ' HE3' ' A' ' 78' ' ' LYS . 20.7 m -70.23 -44.5 68.43 Favored 'General case' 0 C--N 1.325 -0.464 0 CA-C-N 116.039 -0.528 . . . . 0.0 111.94 -176.083 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 73' ' ' PHE . . . . . . . . . . . . . 37.4 t80 -75.77 -36.71 59.75 Favored 'General case' 0 C--N 1.322 -0.628 0 CA-C-O 120.824 0.345 . . . . 0.0 111.24 -175.535 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 74' ' ' LEU . . . . . . . . . . . . . 69.2 mt -87.75 -43.31 11.98 Favored 'General case' 0 C--N 1.325 -0.462 0 N-CA-C 112.325 0.491 . . . . 0.0 112.325 -173.686 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 75' ' ' PHE . . . . . . . . . . . . . 87.1 t80 -110.96 -44.03 3.67 Favored 'General case' 0 C--N 1.325 -0.476 0 CA-C-O 120.788 0.328 . . . . 0.0 111.131 -175.893 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 6.6 tp10 53.03 77.6 0.16 Allowed 'General case' 0 C--N 1.325 -0.499 0 CA-C-N 115.212 -0.904 . . . . 0.0 111.15 -174.141 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . -151.08 31.76 0.97 Allowed Glycine 0 N--CA 1.443 -0.886 0 N-CA-C 109.889 -1.284 . . . . 0.0 109.889 175.173 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 78' ' ' LYS . . . . . 0.469 ' HE3' ' OG ' ' A' ' 72' ' ' SER . 2.6 pptp? -103.9 156.76 17.58 Favored 'General case' 0 C--N 1.325 -0.476 0 CA-C-N 114.983 -0.608 . . . . 0.0 111.164 -175.071 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 79' ' ' ASP . . . . . . . . . . . . . 5.7 p-10 -129.75 13.89 5.88 Favored 'General case' 0 C--N 1.323 -0.575 0 CA-C-N 115.876 -0.602 . . . . 0.0 109.582 171.887 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 80' ' ' VAL . . . . . . . . . . . . . 14.1 t -75.55 145.55 10.55 Favored 'Isoleucine or valine' 0 C--O 1.233 0.199 0 CA-C-N 115.547 -0.751 . . . . 0.0 109.462 179.02 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 81' ' ' HIS . . . . . . . . . . . . . 51.6 m-70 -84.62 103.6 13.88 Favored 'General case' 0 C--N 1.325 -0.47 0 CA-C-O 121.107 0.48 . . . . 0.0 111.238 -173.261 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 82' ' ' ILE . . . . . 0.445 HG12 ' HB3' ' A' ' 68' ' ' GLN . 32.8 mt -88.8 86.15 2.58 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.633 0 N-CA-C 109.089 -0.708 . . . . 0.0 109.089 175.766 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 46.4 mm-40 -118.67 0.25 11.45 Favored 'General case' 0 C--N 1.321 -0.637 0 CA-C-N 115.73 -0.668 . . . . 0.0 110.95 -174.424 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 84' ' ' GLY . . . . . . . . . . . . . . . 79.51 -50.61 3.83 Favored Glycine 0 N--CA 1.451 -0.34 0 C-N-CA 120.558 -0.83 . . . . 0.0 111.404 -173.402 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 85' ' ' TYR . . . . . . . . . . . . . 97.4 m-85 -111.42 94.28 4.89 Favored 'General case' 0 C--N 1.326 -0.443 0 N-CA-C 109.84 -0.43 . . . . 0.0 109.84 174.274 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 86' ' ' THR . . . . . . . . . . . . . 10.0 t -131.0 135.98 28.18 Favored Pre-proline 0 C--N 1.321 -0.656 0 CA-C-N 116.35 -0.386 . . . . 0.0 110.042 179.858 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 87' ' ' PRO . . . . . . . . . . . . . 83.8 Cg_endo -87.2 26.34 0.62 Allowed 'Trans proline' 0 N--CA 1.457 -0.619 0 C-N-CA 122.849 2.366 . . . . 0.0 112.432 -179.661 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 88' ' ' GLU . . . . . . . . . . . . . 46.2 mt-10 -82.97 63.59 7.14 Favored 'General case' 0 C--N 1.323 -0.567 0 CA-C-O 121.435 0.636 . . . . 0.0 110.62 179.129 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 89' ' ' ASP . . . . . . . . . . . . . 7.5 m-20 -73.16 -45.99 53.43 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 115.398 -0.819 . . . . 0.0 109.727 177.19 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 47.7 tttm -82.57 147.52 28.57 Favored 'General case' 0 C--N 1.322 -0.601 0 CA-C-N 115.167 -0.924 . . . . 0.0 109.92 178.212 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 91' ' ' LYS . . . . . . . . . . . . . 17.8 ptpt . . . . . 0 C--O 1.251 1.14 0 CA-C-O 118.073 -0.965 . . . . 0.0 110.039 175.838 . . . . . . . . 0 0 . 1 . 017 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 73.1 mtm . . . . . 0 N--CA 1.481 1.117 0 CA-C-O 120.87 0.366 . . . . 0.0 110.519 . . . . . . . . . 0 0 . 1 . 017 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 24.0 m -84.57 -60.84 1.95 Allowed 'General case' 0 C--N 1.325 -0.496 0 CA-C-O 120.95 0.405 . . . . 0.0 110.355 178.468 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 3' ' ' ARG . . . . . 0.479 ' HG2' HG23 ' A' ' 5' ' ' ILE . 63.8 ttt180 -144.21 102.03 3.8 Favored 'General case' 0 C--N 1.325 -0.468 0 CA-C-N 116.328 -0.397 . . . . 0.0 110.621 -178.125 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 15.1 p -72.0 112.23 7.91 Favored 'General case' 0 C--O 1.237 0.415 0 CA-C-O 120.849 0.357 . . . . 0.0 110.46 176.192 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 5' ' ' ILE . . . . . 0.479 HG23 ' HG2' ' A' ' 3' ' ' ARG . 2.3 pp -134.55 170.04 20.38 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.573 0 CA-C-N 116.075 -0.511 . . . . 0.0 111.385 -178.267 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 6' ' ' PHE . . . . . . . . . . . . . 88.2 m-85 -101.8 104.19 14.95 Favored 'General case' 0 C--N 1.32 -0.702 0 N-CA-C 109.283 -0.636 . . . . 0.0 109.283 174.465 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 7' ' ' CYS . . . . . 0.429 ' O ' ' HA ' ' A' ' 11' ' ' GLN . 41.9 t -60.18 145.84 45.57 Favored 'General case' 0 C--N 1.324 -0.52 0 CA-C-N 115.742 -0.663 . . . . 0.0 111.168 -176.366 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 1.0 OUTLIER -72.75 -40.2 66.23 Favored 'General case' 0 C--N 1.324 -0.513 0 CA-C-O 120.881 0.372 . . . . 0.0 111.948 179.024 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 9' ' ' TYR . . . . . . . . . . . . . 89.8 t80 -85.24 -44.08 13.2 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.365 -0.38 . . . . 0.0 111.105 -178.302 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 10' ' ' LEU . . . . . 0.428 ' HB2' ' HB3' ' A' ' 7' ' ' CYS . 52.0 mt -80.19 -35.86 35.79 Favored 'General case' 0 C--N 1.329 -0.322 0 C-N-CA 120.853 -0.339 . . . . 0.0 110.436 -178.947 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 11' ' ' GLN . . . . . 0.429 ' HA ' ' O ' ' A' ' 7' ' ' CYS . 74.5 mt-30 52.8 44.66 30.01 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-O 122.09 0.948 . . . . 0.0 111.576 -177.797 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 14.5 ptt180 -133.12 174.61 10.19 Favored 'General case' 0 C--N 1.321 -0.645 0 CA-C-N 114.155 -1.384 . . . . 0.0 108.171 174.623 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 18.7 t70 -69.11 109.88 4.24 Favored 'General case' 0 C--N 1.322 -0.601 0 N-CA-C 108.553 -0.906 . . . . 0.0 108.553 172.214 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -129.34 179.51 5.74 Favored 'General case' 0 C--N 1.318 -0.794 0 CA-C-O 121.266 0.555 . . . . 0.0 111.679 -173.21 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 6.8 tp10 -101.73 131.94 47.72 Favored 'General case' 0 N--CA 1.445 -0.716 0 CA-C-N 115.19 -0.913 . . . . 0.0 110.014 -179.699 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . -58.92 123.57 33.93 Favored Glycine 0 N--CA 1.444 -0.793 0 N-CA-C 110.36 -1.096 . . . . 0.0 110.36 171.9 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 17' ' ' GLN . . . . . 0.473 ' O ' ' HE3' ' A' ' 36' ' ' LYS . 1.3 tt0 -48.41 -60.59 2.55 Favored 'General case' 0 C--N 1.331 -0.196 0 CA-C-O 120.676 0.274 . . . . 0.0 111.289 -173.231 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 2.0 t70 -170.29 -163.38 0.34 Allowed 'General case' 0 C--N 1.325 -0.499 0 N-CA-C 108.967 -0.753 . . . . 0.0 108.967 178.23 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 94.7 m-85 -118.13 -163.27 0.93 Allowed 'General case' 0 C--N 1.321 -0.646 0 CA-C-O 120.717 0.294 . . . . 0.0 110.895 -178.111 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 15.7 mm100 -76.77 92.61 3.59 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-O 121.085 0.469 . . . . 0.0 110.979 -178.3 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -107.05 -32.28 7.92 Favored 'General case' 0 C--N 1.321 -0.663 0 CA-C-N 115.639 -0.71 . . . . 0.0 112.081 178.97 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 22' ' ' TYR . . . . . 0.468 ' H ' ' CD ' ' A' ' 23' ' ' PRO . 64.4 m-85 -146.52 -48.85 0.02 OUTLIER Pre-proline 0 CA--C 1.538 0.509 0 N-CA-C 113.175 0.806 . . . . 0.0 113.175 -176.295 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 23' ' ' PRO . . . . . 0.468 ' CD ' ' H ' ' A' ' 22' ' ' TYR . 11.1 Cg_exo -72.52 173.95 12.43 Favored 'Trans proline' 0 C--N 1.354 0.841 0 C-N-CA 121.711 1.607 . . . . 0.0 113.099 -178.137 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -89.87 -147.82 17.93 Favored Glycine 0 N--CA 1.45 -0.416 0 CA-C-N 115.739 -0.664 . . . . 0.0 111.765 179.704 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 39.0 tt0 -54.61 -42.28 70.99 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-O 120.609 0.242 . . . . 0.0 111.408 -178.52 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 26' ' ' LEU . . . . . 0.47 HD23 ' HD3' ' A' ' 29' ' ' ARG . 87.1 mt -60.25 -24.32 64.79 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.343 -0.39 . . . . 0.0 111.101 -179.614 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 27' ' ' GLY . . . . . 0.405 ' HA3' ' HB2' ' A' ' 23' ' ' PRO . . . -59.49 -60.38 8.88 Favored Glycine 0 N--CA 1.443 -0.876 0 C-N-CA 120.918 -0.658 . . . . 0.0 111.663 176.98 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 22.6 pttp -74.22 -24.72 59.37 Favored 'General case' 0 C--N 1.326 -0.424 0 O-C-N 122.7 -0.294 . . . . 0.0 110.757 -177.01 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 29' ' ' ARG . . . . . 0.47 ' HD3' HD23 ' A' ' 26' ' ' LEU . 75.0 ttt180 -66.77 -23.24 66.05 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-O 121.157 0.503 . . . . 0.0 110.279 176.908 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 30' ' ' ILE . . . . . . . . . . . . . 95.7 mt -96.92 -47.57 12.68 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.557 0 CA-C-N 116.244 -0.435 . . . . 0.0 111.291 174.175 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 31' ' ' TYR . . . . . . . . . . . . . 12.5 m-30 -65.23 -14.24 60.19 Favored 'General case' 0 N--CA 1.47 0.555 0 N-CA-C 112.541 0.571 . . . . 0.0 112.541 -173.394 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 32' ' ' ASN . . . . . . . . . . . . . 36.1 p-10 -82.9 -21.03 34.34 Favored 'General case' 0 C--N 1.323 -0.58 0 O-C-N 122.351 -0.218 . . . . 0.0 111.24 -178.494 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 33' ' ' GLU . . . . . 0.424 ' O ' ' HA ' ' A' ' 7' ' ' CYS . 46.1 mt-10 -131.82 16.35 4.76 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 120.923 0.392 . . . . 0.0 111.331 -179.314 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 34' ' ' ILE . . . . . 0.439 HD13 ' HA ' ' A' ' 34' ' ' ILE . 9.2 mm -126.29 131.26 71.7 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 CA-C-O 121.175 0.512 . . . . 0.0 110.513 175.92 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 33.9 t -90.38 163.13 14.81 Favored 'General case' 0 C--N 1.323 -0.57 0 CA-C-N 115.549 -0.751 . . . . 0.0 110.142 177.953 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 36' ' ' LYS . . . . . 0.473 ' HE3' ' O ' ' A' ' 17' ' ' GLN . 34.2 mmtp -51.07 -36.19 38.79 Favored 'General case' 0 C--N 1.326 -0.449 0 CA-C-N 115.546 -0.752 . . . . 0.0 110.657 174.946 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 37' ' ' ASP . . . . . 0.625 ' O ' ' HG3' ' A' ' 41' ' ' GLN . 9.4 m-20 -56.46 -62.92 1.39 Allowed 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 115.411 -0.813 . . . . 0.0 110.778 -179.596 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -62.1 -35.89 80.07 Favored 'General case' 0 C--N 1.331 -0.2 0 CA-C-N 115.696 -0.683 . . . . 0.0 111.385 -177.047 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 39' ' ' TRP . . . . . . . . . . . . . 73.8 t-105 -62.63 -43.56 98.49 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.506 177.822 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -67.3 -41.67 84.98 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.064 -0.516 . . . . 0.0 110.788 179.44 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 41' ' ' GLN . . . . . 0.625 ' HG3' ' O ' ' A' ' 37' ' ' ASP . 89.1 mt-30 -57.46 -44.95 85.21 Favored 'General case' 0 C--O 1.235 0.297 0 CA-C-N 115.947 -0.57 . . . . 0.0 110.181 177.671 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 42' ' ' TRP . . . . . 0.464 ' CZ3' ' HE2' ' A' ' 45' ' ' LYS . 22.7 t-105 -68.82 -49.21 60.36 Favored 'General case' 0 N--CA 1.444 -0.735 0 CA-C-N 115.533 -0.758 . . . . 0.0 111.47 -175.815 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 43' ' ' GLN . . . . . . . . . . . . . 58.8 mt-30 -60.54 -35.64 76.5 Favored 'General case' 0 C--N 1.328 -0.327 0 C-N-CA 120.986 -0.286 . . . . 0.0 110.556 179.943 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 44' ' ' HIS . . . . . . . . . . . . . 65.8 t60 -60.94 -50.87 71.67 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-O 120.796 0.331 . . . . 0.0 110.438 177.577 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 45' ' ' LYS . . . . . 0.5 ' HZ2' HD12 ' A' ' 49' ' ' LEU . 0.3 OUTLIER -63.44 -49.42 73.76 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.273 -0.421 . . . . 0.0 110.374 -179.153 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 46' ' ' GLN . . . . . 0.44 ' O ' HG13 ' A' ' 50' ' ' ILE . 42.3 tp60 -64.26 -47.9 77.79 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.392 -0.367 . . . . 0.0 111.382 -173.695 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 62.6 m -59.76 -33.24 71.42 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.715 -179.597 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 48' ' ' MET . . . . . . . . . . . . . 53.7 tpp -59.69 -50.45 73.8 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.28 -0.418 . . . . 0.0 110.632 176.656 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 49' ' ' LEU . . . . . 0.5 HD12 ' HZ2' ' A' ' 45' ' ' LYS . 45.8 mt -65.21 -37.74 88.24 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-O 120.885 0.374 . . . . 0.0 110.413 -177.954 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 50' ' ' ILE . . . . . 0.44 HG13 ' O ' ' A' ' 46' ' ' GLN . 73.2 mt -59.29 -38.16 73.12 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.359 0 CA-C-N 115.8 -0.637 . . . . 0.0 110.934 178.158 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 51' ' ' ASN . . . . . . . . . . . . . 38.4 m-80 -81.23 -34.77 31.96 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-N 116.502 -0.317 . . . . 0.0 111.371 -179.825 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 34.1 mt-10 -66.06 -44.34 84.82 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.731 0.3 . . . . 0.0 111.242 178.486 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 67.0 mttm -86.68 -18.51 31.09 Favored 'General case' 0 C--N 1.326 -0.454 0 CA-C-N 116.378 -0.374 . . . . 0.0 110.961 -179.072 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 97.1 mttt 55.65 63.74 1.97 Allowed 'General case' 0 C--O 1.234 0.274 0 CA-C-N 115.679 -0.692 . . . . 0.0 110.339 -177.672 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 55' ' ' LEU . . . . . 0.54 ' O ' HD12 ' A' ' 55' ' ' LEU . 3.0 pp -112.95 135.25 53.92 Favored 'General case' 0 C--N 1.323 -0.552 0 CA-C-N 115.603 -0.726 . . . . 0.0 111.493 -176.081 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 56' ' ' ASN . . . . . 0.574 HD22 ' N ' ' A' ' 57' ' ' MET . 0.2 OUTLIER -95.88 127.6 42.03 Favored 'General case' 0 C--N 1.323 -0.566 0 CA-C-N 115.336 -0.847 . . . . 0.0 108.847 176.897 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 57' ' ' MET . . . . . 0.574 ' N ' HD22 ' A' ' 56' ' ' ASN . 22.0 mmt -75.9 40.43 0.2 Allowed 'General case' 0 N--CA 1.466 0.36 0 N-CA-C 112.566 0.58 . . . . 0.0 112.566 -177.294 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 58' ' ' MET . . . . . 0.421 ' HG3' ' OD1' ' A' ' 59' ' ' ASN . 16.9 ptp -98.81 -6.38 29.34 Favored 'General case' 0 C--N 1.323 -0.55 0 N-CA-C 109.334 -0.617 . . . . 0.0 109.334 174.347 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 59' ' ' ASN . . . . . 0.421 ' OD1' ' HG3' ' A' ' 58' ' ' MET . 6.1 m-20 -110.9 133.84 53.04 Favored 'General case' 0 C--N 1.324 -0.505 0 CA-C-N 115.012 -0.994 . . . . 0.0 110.302 -177.86 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -62.02 -32.39 72.87 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 115.588 -0.733 . . . . 0.0 112.808 -171.662 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 26.0 mm-40 -58.39 -44.58 88.99 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-O 120.633 0.254 . . . . 0.0 111.365 -177.881 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 62' ' ' HIS . . . . . . . . . . . . . 93.5 m-70 -74.72 -32.36 62.12 Favored 'General case' 0 C--N 1.325 -0.482 0 CA-C-O 120.908 0.385 . . . . 0.0 109.998 -178.364 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 63' ' ' ARG . . . . . . . . . . . . . 29.9 ttm180 -59.93 -52.59 64.76 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 115.517 -0.765 . . . . 0.0 111.108 -178.821 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 15.7 pttm -71.55 -30.19 65.59 Favored 'General case' 0 C--N 1.329 -0.314 0 C-N-CA 120.783 -0.367 . . . . 0.0 110.627 -178.689 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 7.1 tt -62.31 -45.92 91.06 Favored 'General case' 0 C--N 1.333 -0.146 0 N-CA-C 109.551 -0.537 . . . . 0.0 109.551 179.373 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 9.8 tt -61.87 -43.63 98.47 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.061 -0.518 . . . . 0.0 110.204 177.353 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 33.1 tt0 -64.52 -40.36 95.48 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-O 120.686 0.279 . . . . 0.0 110.677 -177.353 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 68' ' ' GLN . . . . . . . . . . . . . 21.0 mt-30 -56.42 -49.58 74.14 Favored 'General case' 0 C--O 1.235 0.305 0 CA-C-N 116.357 -0.383 . . . . 0.0 110.453 176.35 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 69' ' ' GLU . . . . . 0.459 ' HB3' ' CH2' ' A' ' 42' ' ' TRP . 46.6 mt-10 -63.13 -44.24 96.12 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 121.332 0.587 . . . . 0.0 110.636 178.644 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 70' ' ' MET . . . . . . . . . . . . . 22.3 ttt -58.4 -48.44 80.66 Favored 'General case' 0 C--N 1.325 -0.457 0 CA-C-N 115.419 -0.81 . . . . 0.0 111.334 -174.667 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 71' ' ' VAL . . . . . 0.46 ' O ' ' HB3' ' A' ' 75' ' ' PHE . 65.9 t -68.01 -38.06 79.28 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.377 0 CA-C-N 116.077 -0.51 . . . . 0.0 111.306 -178.988 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 13.6 p -75.62 -18.7 59.61 Favored 'General case' 0 C--N 1.324 -0.536 0 CA-C-O 120.82 0.343 . . . . 0.0 111.768 -175.65 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 73' ' ' PHE . . . . . . . . . . . . . 61.7 t80 -99.5 -56.21 2.46 Favored 'General case' 0 C--N 1.325 -0.481 0 CA-C-O 120.748 0.309 . . . . 0.0 111.377 -179.834 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 74' ' ' LEU . . . . . . . . . . . . . 92.9 mt -72.19 -34.85 68.73 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.447 -0.342 . . . . 0.0 111.454 -174.63 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 75' ' ' PHE . . . . . 0.46 ' HB3' ' O ' ' A' ' 71' ' ' VAL . 74.2 t80 -98.12 -43.5 7.0 Favored 'General case' 0 C--N 1.326 -0.426 0 C-N-CA 120.97 -0.292 . . . . 0.0 110.722 -179.478 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 23.4 mt-10 61.89 97.51 0.03 OUTLIER 'General case' 0 N--CA 1.463 0.223 0 O-C-N 123.909 0.755 . . . . 0.0 111.103 -176.126 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . 140.51 52.01 0.05 OUTLIER Glycine 0 N--CA 1.447 -0.613 0 C-N-CA 120.23 -0.986 . . . . 0.0 112.864 178.496 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 78' ' ' LYS . . . . . 0.576 ' HD3' ' H ' ' A' ' 80' ' ' VAL . 0.0 OUTLIER -119.97 164.65 15.77 Favored 'General case' 0 C--N 1.326 -0.455 0 N-CA-C 109.876 -0.416 . . . . 0.0 109.876 174.462 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 79' ' ' ASP . . . . . . . . . . . . . 7.4 p-10 -98.21 6.49 47.4 Favored 'General case' 0 C--N 1.326 -0.415 0 N-CA-C 112.627 0.603 . . . . 0.0 112.627 -171.827 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 80' ' ' VAL . . . . . 0.576 ' H ' ' HD3' ' A' ' 78' ' ' LYS . 61.3 t -101.38 122.0 52.96 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.664 0 C-N-CA 120.962 -0.295 . . . . 0.0 111.097 -177.649 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 81' ' ' HIS . . . . . . . . . . . . . 46.7 t60 -71.29 132.42 44.88 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 115.781 -0.645 . . . . 0.0 109.942 177.045 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 82' ' ' ILE . . . . . . . . . . . . . 46.6 mm -80.12 123.09 36.47 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.623 0 CA-C-N 116.281 -0.418 . . . . 0.0 110.692 -176.758 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 39.8 mt-10 64.19 84.0 0.16 Allowed 'General case' 0 C--N 1.331 -0.2 0 CA-C-N 115.369 -0.832 . . . . 0.0 111.612 -177.378 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 84' ' ' GLY . . . . . . . . . . . . . . . -82.78 114.31 3.82 Favored Glycine 0 N--CA 1.445 -0.717 0 N-CA-C 110.714 -0.955 . . . . 0.0 110.714 173.003 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 85' ' ' TYR . . . . . 0.507 ' O ' ' HD3' ' A' ' 87' ' ' PRO . 66.0 m-85 -79.88 84.52 5.64 Favored 'General case' 0 C--N 1.323 -0.584 0 CA-C-O 120.984 0.421 . . . . 0.0 110.868 -175.298 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 86' ' ' THR . . . . . 0.64 ' HB ' ' O ' ' A' ' 89' ' ' ASP . 20.7 p -103.82 95.8 8.18 Favored Pre-proline 0 C--N 1.323 -0.561 0 CA-C-N 115.874 -0.603 . . . . 0.0 110.497 176.489 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 87' ' ' PRO . . . . . 0.507 ' HD3' ' O ' ' A' ' 85' ' ' TYR . 3.1 Cg_endo -84.17 -73.96 0.01 OUTLIER 'Trans proline' 0 N--CA 1.457 -0.671 0 C-N-CA 122.852 2.368 . . . . 0.0 112.317 -177.847 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 88' ' ' GLU . . . . . . . . . . . . . 22.2 mm-40 -80.97 -28.16 35.72 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-O 121.07 0.462 . . . . 0.0 110.323 -178.686 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 89' ' ' ASP . . . . . 0.64 ' O ' ' HB ' ' A' ' 86' ' ' THR . 17.0 t70 -82.46 109.37 16.63 Favored 'General case' 0 C--N 1.32 -0.684 0 N-CA-C 109.213 -0.662 . . . . 0.0 109.213 175.221 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 61.0 tttp -91.69 124.02 35.52 Favored 'General case' 0 C--N 1.32 -0.715 0 N-CA-C 109.579 -0.526 . . . . 0.0 109.579 178.906 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 91' ' ' LYS . . . . . 0.423 ' HB2' ' NZ ' ' A' ' 91' ' ' LYS . 0.1 OUTLIER . . . . . 0 C--O 1.249 1.05 0 CA-C-O 118.513 -0.756 . . . . 0.0 109.793 -177.39 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 25.4 ptt? . . . . . 0 N--CA 1.485 1.3 0 N-CA-C 110.256 -0.276 . . . . 0.0 110.256 . . . . . . . . . 0 0 . 1 . 018 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 25.2 t 65.3 95.79 0.05 Allowed 'General case' 0 N--CA 1.465 0.305 0 CA-C-O 121.219 0.533 . . . . 0.0 111.461 175.045 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 3' ' ' ARG . . . . . . . . . . . . . 6.3 ptm180 -131.23 98.7 4.63 Favored 'General case' 0 C--N 1.321 -0.639 0 CA-C-O 121.316 0.579 . . . . 0.0 111.139 -179.45 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 19.6 m -95.18 121.3 36.68 Favored 'General case' 0 C--N 1.322 -0.615 0 N-CA-C 109.198 -0.667 . . . . 0.0 109.198 174.46 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 5' ' ' ILE . . . . . . . . . . . . . 2.7 pp -121.14 169.65 12.18 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.637 0 CA-C-O 121.105 0.478 . . . . 0.0 111.596 -173.062 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 6' ' ' PHE . . . . . . . . . . . . . 73.2 t80 -93.12 102.26 14.57 Favored 'General case' 0 N--CA 1.446 -0.644 0 N-CA-C 108.74 -0.837 . . . . 0.0 108.74 175.371 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 7' ' ' CYS . . . . . 0.43 ' HA ' ' O ' ' A' ' 33' ' ' GLU . 50.8 t -70.54 131.36 43.87 Favored 'General case' 0 C--N 1.325 -0.472 0 CA-C-N 116.284 -0.417 . . . . 0.0 110.517 -176.321 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 9.3 p -63.36 -46.99 83.97 Favored 'General case' 0 C--N 1.321 -0.64 0 CA-C-N 115.878 -0.601 . . . . 0.0 111.624 -177.822 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 9' ' ' TYR . . . . . . . . . . . . . 87.6 t80 -69.63 -39.57 77.06 Favored 'General case' 0 C--N 1.326 -0.44 0 CA-C-N 116.341 -0.39 . . . . 0.0 111.55 -178.232 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 10' ' ' LEU . . . . . 0.416 ' HB2' ' HB3' ' A' ' 7' ' ' CYS . 99.0 mt -82.45 -27.97 31.57 Favored 'General case' 0 C--N 1.328 -0.338 0 C-N-CA 121.02 -0.272 . . . . 0.0 111.714 -175.808 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 31.9 mm-40 60.88 32.24 20.03 Favored 'General case' 0 N--CA 1.464 0.244 0 CA-C-O 121.234 0.54 . . . . 0.0 110.414 -177.239 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 60.5 mtm180 -151.38 174.64 13.1 Favored 'General case' 0 C--N 1.326 -0.443 0 CA-C-N 115.557 -0.747 . . . . 0.0 110.408 -175.678 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 8.6 m-20 -63.36 130.05 42.85 Favored 'General case' 0 CA--C 1.514 -0.421 0 O-C-N 123.476 0.485 . . . . 0.0 109.962 177.757 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 14' ' ' ALA . . . . . 0.569 ' HB1' ' HB2' ' A' ' 35' ' ' SER . . . -144.44 169.25 18.29 Favored 'General case' 0 C--N 1.315 -0.892 0 CA-C-O 120.858 0.361 . . . . 0.0 111.173 -178.643 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 35.9 tt0 -93.87 121.75 35.65 Favored 'General case' 0 C--N 1.321 -0.637 0 CA-C-N 116.127 -0.488 . . . . 0.0 109.934 -178.151 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . -61.59 143.87 48.73 Favored Glycine 0 N--CA 1.443 -0.838 0 N-CA-C 111.403 -0.679 . . . . 0.0 111.403 178.279 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 17' ' ' GLN . . . . . . . . . . . . . 18.0 mt-30 -76.09 -161.38 0.17 Allowed 'General case' 0 C--N 1.322 -0.594 0 CA-C-O 121.205 0.526 . . . . 0.0 111.423 -176.323 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 18' ' ' ASP . . . . . 0.476 ' HB2' HD11 ' A' ' 21' ' ' LEU . 14.1 m-20 -73.78 -168.62 0.61 Allowed 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 115.805 -0.634 . . . . 0.0 111.251 -179.103 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 29.0 t80 -100.37 -92.16 0.29 Allowed 'General case' 0 C--N 1.325 -0.461 0 CA-C-N 116.396 -0.366 . . . . 0.0 111.191 -173.209 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 20' ' ' GLN . . . . . 0.597 ' HA ' HE21 ' A' ' 20' ' ' GLN . 0.0 OUTLIER -134.06 108.55 8.41 Favored 'General case' 0 C--N 1.324 -0.527 0 N-CA-C 108.92 -0.77 . . . . 0.0 108.92 179.7 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 21' ' ' LEU . . . . . 0.476 HD11 ' HB2' ' A' ' 18' ' ' ASP . 3.2 mp -104.02 -73.32 0.67 Allowed 'General case' 0 C--N 1.32 -0.712 0 CA-C-O 121.081 0.467 . . . . 0.0 110.185 -174.473 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 22' ' ' TYR . . . . . 0.569 ' H ' ' CD ' ' A' ' 23' ' ' PRO . 41.7 p90 -118.54 -31.58 0.07 OUTLIER Pre-proline 0 CA--C 1.544 0.746 0 CA-C-N 115.711 -0.677 . . . . 0.0 112.472 176.571 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 23' ' ' PRO . . . . . 0.569 ' CD ' ' H ' ' A' ' 22' ' ' TYR . 86.6 Cg_endo -88.86 176.14 3.4 Favored 'Trans proline' 0 C--N 1.362 1.262 0 CA-C-N 120.791 1.318 . . . . 0.0 111.885 174.895 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -112.42 -121.39 3.91 Favored Glycine 0 N--CA 1.444 -0.783 0 C-N-CA 120.707 -0.758 . . . . 0.0 112.285 -178.414 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 26.9 mm-40 -63.46 -44.12 95.37 Favored 'General case' 0 C--N 1.326 -0.414 0 N-CA-C 112.046 0.388 . . . . 0.0 112.046 -175.738 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 63.6 tp -64.56 -39.2 93.32 Favored 'General case' 0 C--N 1.325 -0.476 0 CA-C-O 121.163 0.506 . . . . 0.0 109.889 -178.819 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . -64.81 -48.29 73.65 Favored Glycine 0 N--CA 1.448 -0.541 0 C-N-CA 120.598 -0.81 . . . . 0.0 111.758 177.545 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 6.5 ttpm? -61.59 -34.53 75.79 Favored 'General case' 0 C--O 1.234 0.272 0 CA-C-O 120.947 0.404 . . . . 0.0 110.408 179.493 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 29' ' ' ARG . . . . . 0.478 ' O ' ' HG2' ' A' ' 33' ' ' GLU . 72.3 ttt180 -61.14 -37.22 82.07 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 115.782 -0.644 . . . . 0.0 110.647 178.502 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 30' ' ' ILE . . . . . . . . . . . . . 62.2 mt -77.77 -39.83 26.8 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.659 0 C-N-CA 120.802 -0.359 . . . . 0.0 110.469 177.051 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 31' ' ' TYR . . . . . . . . . . . . . 19.4 m-85 -62.69 -23.11 66.97 Favored 'General case' 0 C--N 1.329 -0.284 0 N-CA-C 112.878 0.696 . . . . 0.0 112.878 -175.298 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 32' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER -103.55 0.06 30.41 Favored 'General case' 0 C--N 1.327 -0.404 0 C-N-CA 119.855 -0.738 . . . . 0.0 112.092 -178.581 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 33' ' ' GLU . . . . . 0.478 ' HG2' ' O ' ' A' ' 29' ' ' ARG . 48.0 mm-40 -105.95 -32.61 8.24 Favored 'General case' 0 C--O 1.235 0.306 0 CA-C-O 121.452 0.644 . . . . 0.0 109.965 175.879 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 34' ' ' ILE . . . . . 0.448 HG23 ' HB3' ' A' ' 38' ' ' ALA . 9.7 mm -105.37 142.01 19.45 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.645 0 CA-C-N 115.445 -0.798 . . . . 0.0 111.044 -177.251 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 35' ' ' SER . . . . . 0.569 ' HB2' ' HB1' ' A' ' 14' ' ' ALA . 9.0 t -82.06 153.13 26.28 Favored 'General case' 0 C--N 1.322 -0.614 0 CA-C-N 115.402 -0.817 . . . . 0.0 110.087 177.291 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 99.1 mttt -53.3 -29.93 36.13 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.056 -0.52 . . . . 0.0 110.274 174.787 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 37' ' ' ASP . . . . . 0.636 ' O ' ' HG3' ' A' ' 41' ' ' GLN . 11.1 m-20 -60.96 -60.83 3.17 Favored 'General case' 0 C--N 1.332 -0.188 0 CA-C-N 115.629 -0.714 . . . . 0.0 110.35 177.86 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 38' ' ' ALA . . . . . 0.448 ' HB3' HG23 ' A' ' 34' ' ' ILE . . . -63.31 -36.52 83.97 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 115.741 -0.663 . . . . 0.0 111.154 -177.278 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 39' ' ' TRP . . . . . . . . . . . . . 65.2 t-105 -59.92 -48.55 81.24 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-O 120.902 0.382 . . . . 0.0 110.102 176.683 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -60.54 -48.59 81.11 Favored 'General case' 0 N--CA 1.453 -0.321 0 CA-C-N 115.848 -0.615 . . . . 0.0 110.745 178.578 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 41' ' ' GLN . . . . . 0.636 ' HG3' ' O ' ' A' ' 37' ' ' ASP . 20.7 mt-30 -55.19 -49.09 72.78 Favored 'General case' 0 C--O 1.233 0.206 0 O-C-N 123.349 0.406 . . . . 0.0 110.791 179.845 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 42' ' ' TRP . . . . . . . . . . . . . 51.1 t-105 -66.8 -54.44 22.54 Favored 'General case' 0 N--CA 1.45 -0.432 0 CA-C-N 115.781 -0.645 . . . . 0.0 111.224 -175.272 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 43' ' ' GLN . . . . . 0.525 ' HA ' ' OE1' ' A' ' 43' ' ' GLN . 11.9 mm-40 -68.68 -28.72 67.11 Favored 'General case' 0 C--N 1.325 -0.458 0 N-CA-C 112.018 0.377 . . . . 0.0 112.018 -174.119 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 44' ' ' HIS . . . . . . . . . . . . . 0.3 OUTLIER -62.91 -45.71 91.24 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-O 121.132 0.492 . . . . 0.0 109.852 174.387 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 3.7 tmtp? -70.9 -46.43 62.55 Favored 'General case' 0 C--N 1.325 -0.466 0 CA-C-N 115.411 -0.813 . . . . 0.0 110.403 -178.722 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 46' ' ' GLN . . . . . 0.503 ' O ' HG13 ' A' ' 50' ' ' ILE . 52.5 tp60 -61.16 -51.13 70.36 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 115.899 -0.591 . . . . 0.0 111.216 -177.067 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 30.4 m -59.8 -36.79 77.46 Favored 'General case' 0 C--O 1.236 0.355 0 CA-C-O 120.966 0.412 . . . . 0.0 110.628 179.466 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 48' ' ' MET . . . . . . . . . . . . . 24.2 ttt -59.4 -47.74 84.31 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 115.899 -0.591 . . . . 0.0 110.488 175.915 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 49' ' ' LEU . . . . . 0.466 ' HB3' ' HE2' ' A' ' 53' ' ' LYS . 36.5 mt -66.31 -35.98 81.78 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 115.996 -0.547 . . . . 0.0 111.801 -178.455 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 50' ' ' ILE . . . . . 0.503 HG13 ' O ' ' A' ' 46' ' ' GLN . 77.8 mt -61.92 -39.04 82.16 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.42 0 CA-C-O 120.825 0.345 . . . . 0.0 110.609 178.469 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 51' ' ' ASN . . . . . . . . . . . . . 33.9 m-80 -79.06 -35.86 41.85 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.672 -179.839 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 35.9 tt0 -61.75 -55.14 33.4 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-N 115.839 -0.619 . . . . 0.0 110.961 177.853 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 53' ' ' LYS . . . . . 0.466 ' HE2' ' HB3' ' A' ' 49' ' ' LEU . 51.0 mtmt -90.25 -1.53 57.94 Favored 'General case' 0 C--N 1.325 -0.462 0 CA-C-N 115.751 -0.659 . . . . 0.0 111.976 -173.432 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 47.7 mmtm 56.43 46.07 21.47 Favored 'General case' 0 C--O 1.235 0.329 0 O-C-N 123.413 0.445 . . . . 0.0 110.977 178.018 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 81.3 mt -66.58 117.08 8.25 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-N 115.774 -0.648 . . . . 0.0 110.704 -178.063 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 56' ' ' ASN . . . . . 0.541 ' O ' ' HB2' ' A' ' 62' ' ' HIS . 8.4 p30 -87.58 140.29 29.67 Favored 'General case' 0 C--N 1.326 -0.416 0 N-CA-C 109.981 -0.377 . . . . 0.0 109.981 177.864 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 57' ' ' MET . . . . . . . . . . . . . 24.8 mmt -98.76 14.46 28.67 Favored 'General case' 0 C--N 1.322 -0.623 0 CA-C-O 121.28 0.562 . . . . 0.0 109.967 -179.688 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 58' ' ' MET . . . . . . . . . . . . . 54.4 mtt -78.82 -39.96 34.21 Favored 'General case' 0 C--N 1.323 -0.551 0 CA-C-N 115.283 -0.872 . . . . 0.0 109.339 179.362 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 59' ' ' ASN . . . . . . . . . . . . . 6.1 m-20 -86.62 141.02 29.28 Favored 'General case' 0 C--N 1.323 -0.586 0 CA-C-N 115.37 -0.832 . . . . 0.0 110.072 173.629 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 60' ' ' ALA . . . . . 0.411 ' O ' ' HG2' ' A' ' 64' ' ' LYS . . . -60.33 -25.13 65.56 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.053 -0.521 . . . . 0.0 110.813 178.755 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 40.8 mt-10 -47.42 -62.05 1.62 Allowed 'General case' 0 N--CA 1.464 0.261 0 CA-C-N 115.562 -0.744 . . . . 0.0 111.634 178.738 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 62' ' ' HIS . . . . . 0.541 ' HB2' ' O ' ' A' ' 56' ' ' ASN . 81.5 m-70 -85.33 -18.67 33.11 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-N 116.024 -0.534 . . . . 0.0 111.316 -171.376 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 63' ' ' ARG . . . . . . . . . . . . . 7.8 tpm_? -69.05 -56.96 6.15 Favored 'General case' 0 C--N 1.326 -0.437 0 N-CA-C 109.786 -0.45 . . . . 0.0 109.786 176.426 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 64' ' ' LYS . . . . . 0.411 ' HG2' ' O ' ' A' ' 60' ' ' ALA . 21.5 pttp -68.09 -21.04 64.99 Favored 'General case' 0 C--O 1.222 -0.346 0 N-CA-C 109.77 -0.456 . . . . 0.0 109.77 177.885 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 65' ' ' LEU . . . . . 0.508 ' HB3' ' O ' ' A' ' 62' ' ' HIS . 52.2 tp -55.33 -51.85 65.38 Favored 'General case' 0 C--N 1.332 -0.186 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.295 173.106 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 3.0 tt -59.64 -46.22 89.64 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 115.921 -0.581 . . . . 0.0 109.611 -179.957 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -54.41 -53.64 51.32 Favored 'General case' 0 N--CA 1.466 0.348 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.122 176.517 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 68' ' ' GLN . . . . . 0.527 ' HB3' HG12 ' A' ' 82' ' ' ILE . 14.3 mt-30 -58.15 -49.68 76.17 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.061 -0.518 . . . . 0.0 111.151 -178.659 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 69' ' ' GLU . . . . . 0.411 ' HG3' ' O ' ' A' ' 65' ' ' LEU . 42.5 mt-10 -60.65 -43.23 97.85 Favored 'General case' 0 C--O 1.235 0.311 0 CA-C-O 120.807 0.337 . . . . 0.0 110.594 -179.409 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 70' ' ' MET . . . . . . . . . . . . . 49.6 ttm -60.05 -52.24 66.21 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 115.926 -0.579 . . . . 0.0 111.076 -179.043 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 71' ' ' VAL . . . . . . . . . . . . . 97.3 t -61.33 -34.62 61.77 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.358 0 CA-C-N 116.055 -0.521 . . . . 0.0 110.831 -179.086 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 50.4 m -65.29 -37.81 88.32 Favored 'General case' 0 C--N 1.325 -0.48 0 N-CA-C 111.907 0.336 . . . . 0.0 111.907 -178.861 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 73' ' ' PHE . . . . . . . . . . . . . 62.9 t80 -92.59 -47.37 7.15 Favored 'General case' 0 C--N 1.325 -0.477 0 N-CA-C 111.903 0.334 . . . . 0.0 111.903 -174.058 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 74' ' ' LEU . . . . . 0.413 ' HB3' HG13 ' A' ' 34' ' ' ILE . 83.0 mt -80.59 -47.46 14.12 Favored 'General case' 0 C--N 1.325 -0.465 0 CA-C-O 120.869 0.366 . . . . 0.0 111.941 -173.211 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 75' ' ' PHE . . . . . . . . . . . . . 58.1 t80 -89.1 -42.99 11.38 Favored 'General case' 0 C--N 1.323 -0.545 0 CA-C-O 120.869 0.366 . . . . 0.0 110.32 -177.85 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 32.7 tt0 60.74 90.31 0.07 Allowed 'General case' 0 C--N 1.331 -0.215 0 CA-C-N 114.933 -1.03 . . . . 0.0 110.525 -176.628 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . 157.32 44.47 0.02 OUTLIER Glycine 0 N--CA 1.445 -0.747 0 C-N-CA 120.674 -0.774 . . . . 0.0 112.295 -178.113 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 78' ' ' LYS . . . . . 0.515 ' O ' ' HD2' ' A' ' 78' ' ' LYS . 2.8 pptp? -99.04 139.2 35.04 Favored 'General case' 0 C--N 1.324 -0.509 0 CA-C-O 121.075 0.464 . . . . 0.0 110.585 178.56 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 79' ' ' ASP . . . . . . . . . . . . . 5.3 m-20 -90.39 -32.1 16.59 Favored 'General case' 0 C--N 1.319 -0.757 0 CA-C-N 115.929 -0.578 . . . . 0.0 110.01 176.299 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 80' ' ' VAL . . . . . 0.505 ' O ' ' HD3' ' A' ' 78' ' ' LYS . 46.2 t -70.62 110.5 3.71 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.447 0 CA-C-N 115.369 -0.832 . . . . 0.0 110.746 -177.574 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 81' ' ' HIS . . . . . . . . . . . . . 23.1 m170 -76.18 147.67 38.28 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-O 121.069 0.462 . . . . 0.0 110.661 179.838 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 82' ' ' ILE . . . . . 0.527 HG12 ' HB3' ' A' ' 68' ' ' GLN . 32.7 mt -94.1 90.19 2.76 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.592 0 CA-C-N 115.651 -0.704 . . . . 0.0 112.404 -168.213 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 22.3 tt0 58.18 18.38 5.28 Favored 'General case' 0 N--CA 1.468 0.434 0 CA-C-N 115.638 -0.71 . . . . 0.0 112.024 172.601 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 84' ' ' GLY . . . . . . . . . . . . . . . -76.48 -59.07 3.39 Favored Glycine 0 N--CA 1.449 -0.445 0 C-N-CA 120.679 -0.772 . . . . 0.0 111.517 179.382 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 85' ' ' TYR . . . . . . . . . . . . . 83.8 m-85 -121.4 143.3 49.3 Favored 'General case' 0 C--N 1.321 -0.649 0 N-CA-C 109.824 -0.436 . . . . 0.0 109.824 176.55 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 86' ' ' THR . . . . . . . . . . . . . 21.6 m -129.79 106.85 16.87 Favored Pre-proline 0 C--N 1.322 -0.593 0 CA-C-N 116.207 -0.452 . . . . 0.0 111.05 -176.489 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 87' ' ' PRO . . . . . . . . . . . . . 14.9 Cg_exo -69.44 148.65 67.59 Favored 'Trans proline' 0 N--CA 1.462 -0.374 0 C-N-CA 122.581 2.187 . . . . 0.0 111.168 173.658 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 88' ' ' GLU . . . . . 0.516 ' HA ' ' OE1' ' A' ' 88' ' ' GLU . 3.9 mm-40 -81.93 75.64 8.86 Favored 'General case' 0 C--N 1.325 -0.482 0 CA-C-O 121.783 0.801 . . . . 0.0 110.871 178.37 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 89' ' ' ASP . . . . . . . . . . . . . 54.1 t0 -157.99 98.28 1.6 Allowed 'General case' 0 C--N 1.32 -0.698 0 CA-C-N 114.082 -1.417 . . . . 0.0 108.102 175.373 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 3.5 mptp? -69.77 99.19 1.32 Allowed 'General case' 0 C--N 1.32 -0.677 0 CA-C-O 121.474 0.654 . . . . 0.0 110.358 -174.263 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 91' ' ' LYS . . . . . . . . . . . . . 41.2 ttmt . . . . . 0 C--O 1.248 1.013 0 CA-C-N 115.391 -0.822 . . . . 0.0 110.069 -178.385 . . . . . . . . 0 0 . 1 . 019 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 76.0 mtm . . . . . 0 N--CA 1.483 1.189 0 CA-C-O 120.774 0.321 . . . . 0.0 110.921 . . . . . . . . . 0 0 . 1 . 019 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 24.8 m -89.16 90.26 8.3 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-O 120.991 0.424 . . . . 0.0 110.06 178.793 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 3' ' ' ARG . . . . . . . . . . . . . 39.4 ttm180 -96.69 92.51 6.23 Favored 'General case' 0 C--N 1.324 -0.503 0 CA-C-N 116.149 -0.478 . . . . 0.0 109.973 -179.045 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 17.1 m -86.09 115.51 23.72 Favored 'General case' 0 C--N 1.318 -0.766 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.715 -178.348 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 5' ' ' ILE . . . . . . . . . . . . . 2.7 pp -120.43 169.13 12.05 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 CA-C-N 116.305 -0.407 . . . . 0.0 110.776 179.613 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 6' ' ' PHE . . . . . . . . . . . . . 75.1 t80 -96.56 109.44 22.03 Favored 'General case' 0 C--N 1.322 -0.6 0 N-CA-C 109.319 -0.622 . . . . 0.0 109.319 176.537 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 7' ' ' CYS . . . . . 0.797 ' SG ' ' HB2' ' A' ' 10' ' ' LEU . 9.5 p -87.29 140.16 29.83 Favored 'General case' 0 C--N 1.319 -0.742 0 CA-C-N 116.125 -0.489 . . . . 0.0 111.15 -175.742 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 20.2 m -64.7 -52.55 56.57 Favored 'General case' 0 C--N 1.324 -0.531 0 CA-C-N 115.991 -0.55 . . . . 0.0 111.721 -177.801 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 9' ' ' TYR . . . . . . . . . . . . . 41.6 t80 -67.88 -34.7 77.18 Favored 'General case' 0 C--N 1.325 -0.469 0 N-CA-C 112.474 0.546 . . . . 0.0 112.474 -170.993 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 10' ' ' LEU . . . . . 0.797 ' HB2' ' SG ' ' A' ' 7' ' ' CYS . 92.1 mt -97.09 -23.87 16.03 Favored 'General case' 0 C--N 1.326 -0.443 0 C-N-CA 120.858 -0.337 . . . . 0.0 111.755 -176.744 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 28.2 mm-40 62.15 32.06 17.49 Favored 'General case' 0 N--CA 1.468 0.468 0 CA-C-O 120.892 0.377 . . . . 0.0 111.298 179.33 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 17.7 ptt180 -147.74 -179.07 6.62 Favored 'General case' 0 C--N 1.326 -0.456 0 CA-C-N 116.408 -0.36 . . . . 0.0 110.565 179.637 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 10.1 m-20 -67.72 125.31 25.83 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.278 -0.419 . . . . 0.0 110.637 -178.961 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 14' ' ' ALA . . . . . 0.42 ' HB1' ' HB2' ' A' ' 35' ' ' SER . . . -140.16 178.55 7.2 Favored 'General case' 0 C--N 1.321 -0.65 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.223 177.742 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 14.6 pt-20 -97.8 132.63 43.24 Favored 'General case' 0 C--N 1.322 -0.596 0 CA-C-O 121.314 0.578 . . . . 0.0 110.815 -177.217 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . -67.96 122.69 16.85 Favored Glycine 0 N--CA 1.444 -0.816 0 CA-C-N 115.476 -0.784 . . . . 0.0 112.13 178.996 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 17' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -60.38 101.73 0.14 Allowed 'General case' 0 C--N 1.322 -0.594 0 C-N-CA 122.704 0.402 . . . . 0.0 111.588 178.932 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 22.0 t70 -92.81 75.67 4.89 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.981 0.42 . . . . 0.0 110.182 178.932 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 33.2 m-85 -152.45 123.49 7.54 Favored 'General case' 0 C--N 1.323 -0.547 0 CA-C-N 116.065 -0.516 . . . . 0.0 111.009 -179.34 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 81.5 mm-40 -134.07 117.54 16.74 Favored 'General case' 0 C--N 1.322 -0.624 0 CA-C-N 116.071 -0.513 . . . . 0.0 109.683 173.907 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 21' ' ' LEU . . . . . 0.428 HD12 ' N ' ' A' ' 21' ' ' LEU . 4.5 mp -111.85 -84.61 0.57 Allowed 'General case' 0 C--N 1.325 -0.48 0 CA-C-O 121.22 0.533 . . . . 0.0 110.101 -175.706 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 22' ' ' TYR . . . . . 0.502 ' N ' ' HD2' ' A' ' 23' ' ' PRO . 10.5 p90 -108.2 -30.04 0.17 Allowed Pre-proline 0 CA--C 1.543 0.695 0 N-CA-C 113.199 0.815 . . . . 0.0 113.199 177.59 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 23' ' ' PRO . . . . . 0.502 ' HD2' ' N ' ' A' ' 22' ' ' TYR . 73.9 Cg_endo -75.73 169.09 22.98 Favored 'Trans proline' 0 C--N 1.365 1.401 0 CA-C-N 120.81 1.325 . . . . 0.0 111.77 175.239 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -127.97 -110.98 1.6 Allowed Glycine 0 N--CA 1.447 -0.596 0 C-N-CA 120.504 -0.855 . . . . 0.0 112.467 -178.996 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 9.2 pt-20 -62.18 -35.13 77.89 Favored 'General case' 0 C--N 1.326 -0.433 0 N-CA-C 112.042 0.386 . . . . 0.0 112.042 -175.272 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 56.7 tp -66.28 -40.51 90.13 Favored 'General case' 0 C--N 1.329 -0.318 0 N-CA-C 109.315 -0.624 . . . . 0.0 109.315 177.117 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . -65.17 -47.92 75.72 Favored Glycine 0 N--CA 1.446 -0.665 0 N-CA-C 111.107 -0.797 . . . . 0.0 111.107 176.795 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 99.4 mttt -52.52 -50.07 63.58 Favored 'General case' 0 C--N 1.331 -0.216 0 C-N-CA 122.182 0.193 . . . . 0.0 110.948 177.994 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 46.6 ttt180 -50.59 -52.67 36.98 Favored 'General case' 0 C--N 1.331 -0.202 0 CA-C-N 116.321 -0.4 . . . . 0.0 110.705 179.098 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 30' ' ' ILE . . . . . . . . . . . . . 74.3 mt -60.83 -49.84 82.94 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.075 -0.511 . . . . 0.0 110.846 -179.857 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 31' ' ' TYR . . . . . . . . . . . . . 21.5 m-85 -67.29 -11.09 56.66 Favored 'General case' 0 C--N 1.324 -0.52 0 N-CA-C 112.662 0.615 . . . . 0.0 112.662 -173.759 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 32' ' ' ASN . . . . . . . . . . . . . 11.3 m-80 -87.28 -32.1 19.88 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-O 120.61 0.243 . . . . 0.0 111.36 179.137 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 10.7 pt-20 -112.86 -4.04 14.04 Favored 'General case' 0 C--N 1.324 -0.534 0 CA-C-O 121.044 0.45 . . . . 0.0 111.312 -176.678 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 34' ' ' ILE . . . . . 0.455 HD13 ' HA ' ' A' ' 34' ' ' ILE . 11.1 mm -117.39 125.64 74.13 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.606 0 CA-C-O 121.392 0.615 . . . . 0.0 110.802 177.307 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 35' ' ' SER . . . . . 0.42 ' HB2' ' HB1' ' A' ' 14' ' ' ALA . 42.8 t -83.45 162.44 20.97 Favored 'General case' 0 C--N 1.321 -0.669 0 CA-C-N 115.145 -0.934 . . . . 0.0 110.079 177.421 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 84.0 mttt -57.17 -24.98 58.06 Favored 'General case' 0 C--N 1.322 -0.616 0 CA-C-N 115.173 -0.921 . . . . 0.0 110.283 176.962 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 37' ' ' ASP . . . . . 0.597 ' O ' ' HG3' ' A' ' 41' ' ' GLN . 20.4 m-20 -60.16 -64.21 1.03 Allowed 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 115.709 -0.678 . . . . 0.0 110.358 176.369 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -66.42 -38.43 87.43 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 115.929 -0.578 . . . . 0.0 111.315 -175.986 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 39' ' ' TRP . . . . . . . . . . . . . 77.4 t-105 -59.84 -47.27 86.41 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.073 -0.512 . . . . 0.0 110.528 -179.983 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -67.57 -40.49 84.87 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.101 -0.499 . . . . 0.0 111.299 -179.562 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 41' ' ' GLN . . . . . 0.597 ' HG3' ' O ' ' A' ' 37' ' ' ASP . 24.9 mt-30 -60.5 -43.82 96.64 Favored 'General case' 0 CA--C 1.519 -0.226 0 CA-C-N 116.476 -0.329 . . . . 0.0 110.896 -179.876 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 42' ' ' TRP . . . . . . . . . . . . . 30.0 t-105 -65.43 -52.09 55.66 Favored 'General case' 0 N--CA 1.453 -0.321 0 CA-C-N 116.449 -0.341 . . . . 0.0 110.945 -177.8 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 43' ' ' GLN . . . . . . . . . . . . . 80.4 mt-30 -58.9 -39.56 81.84 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.682 0.277 . . . . 0.0 110.648 -179.385 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 44' ' ' HIS . . . . . . . . . . . . . 15.3 t-80 -64.44 -51.56 62.5 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-N 116.397 -0.365 . . . . 0.0 110.44 178.513 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 16.1 tppt? -58.06 -48.29 80.58 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 115.842 -0.617 . . . . 0.0 111.182 179.694 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 46' ' ' GLN . . . . . 0.565 HE22 HD13 ' A' ' 66' ' ' LEU . 25.5 tt0 -67.24 -45.6 76.24 Favored 'General case' 0 N--CA 1.449 -0.498 0 CA-C-N 116.657 -0.247 . . . . 0.0 111.217 -175.501 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 91.4 m -58.47 -41.98 86.46 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-O 120.934 0.397 . . . . 0.0 110.307 179.008 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 48' ' ' MET . . . . . 0.492 ' O ' ' HG3' ' A' ' 52' ' ' GLU . 28.1 ttt -62.18 -45.13 94.77 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-O 121.133 0.492 . . . . 0.0 110.237 175.621 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 11.1 tp -60.21 -43.23 96.13 Favored 'General case' 0 C--N 1.325 -0.461 0 CA-C-N 115.233 -0.894 . . . . 0.0 110.786 -177.894 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 50' ' ' ILE . . . . . 0.498 HG13 ' O ' ' A' ' 46' ' ' GLN . 88.5 mt -59.58 -43.31 90.7 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 115.796 -0.638 . . . . 0.0 111.006 178.762 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 51' ' ' ASN . . . . . . . . . . . . . 4.1 m-20 -73.18 -33.89 65.69 Favored 'General case' 0 C--N 1.324 -0.505 0 CA-C-N 116.038 -0.528 . . . . 0.0 111.233 -177.325 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 52' ' ' GLU . . . . . 0.492 ' HG3' ' O ' ' A' ' 48' ' ' MET . 49.9 mt-10 -67.24 -53.51 29.47 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-O 120.969 0.414 . . . . 0.0 110.39 176.722 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 66.9 mttm -69.21 -28.07 66.05 Favored 'General case' 0 C--N 1.324 -0.504 0 CA-C-N 115.848 -0.615 . . . . 0.0 111.091 -177.843 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 92.1 mttt 57.5 78.76 0.22 Allowed 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 115.569 -0.741 . . . . 0.0 110.039 -172.87 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 4.0 pp -133.11 157.24 45.81 Favored 'General case' 0 C--N 1.323 -0.547 0 CA-C-N 115.245 -0.888 . . . . 0.0 109.898 -178.794 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 56' ' ' ASN . . . . . . . . . . . . . 18.8 m120 -108.13 136.96 46.93 Favored 'General case' 0 C--N 1.322 -0.613 0 CA-C-O 121.082 0.467 . . . . 0.0 110.966 -178.462 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 57' ' ' MET . . . . . . . . . . . . . 23.3 mmt -85.67 -2.01 57.75 Favored 'General case' 0 C--N 1.326 -0.442 0 CA-C-N 115.749 -0.659 . . . . 0.0 110.356 176.558 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 58' ' ' MET . . . . . . . . . . . . . 65.6 mtt -72.3 -18.3 61.8 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 115.416 -0.811 . . . . 0.0 109.354 173.573 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 59' ' ' ASN . . . . . . . . . . . . . 2.3 m-20 -89.02 137.03 32.69 Favored 'General case' 0 C--N 1.323 -0.56 0 CA-C-N 115.148 -0.933 . . . . 0.0 110.107 -178.809 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 60' ' ' ALA . . . . . 0.535 ' O ' ' HG2' ' A' ' 64' ' ' LYS . . . -63.29 -19.56 64.7 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.344 -0.389 . . . . 0.0 110.637 178.698 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 20.4 mt-10 -56.02 -57.14 13.4 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-O 121.726 0.774 . . . . 0.0 110.005 174.692 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 62' ' ' HIS . . . . . 0.451 ' HA ' ' HB3' ' A' ' 65' ' ' LEU . 95.3 m-70 -91.24 -15.77 28.7 Favored 'General case' 0 C--N 1.323 -0.561 0 CA-C-N 115.085 -0.961 . . . . 0.0 111.333 -169.605 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 63' ' ' ARG . . . . . 0.415 ' O ' ' HB3' ' A' ' 66' ' ' LEU . 21.7 tpp180 -63.44 -49.4 73.85 Favored 'General case' 0 C--O 1.238 0.48 0 CA-C-O 121.085 0.469 . . . . 0.0 110.032 175.441 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 64' ' ' LYS . . . . . 0.535 ' HG2' ' O ' ' A' ' 60' ' ' ALA . 18.9 pttm -73.04 -34.13 66.13 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.124 177.139 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 65' ' ' LEU . . . . . 0.545 ' O ' ' HG3' ' A' ' 69' ' ' GLU . 47.9 tp -55.85 -46.04 78.3 Favored 'General case' 0 N--CA 1.463 0.206 0 N-CA-C 109.862 -0.421 . . . . 0.0 109.862 175.504 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 66' ' ' LEU . . . . . 0.565 HD13 HE22 ' A' ' 46' ' ' GLN . 8.9 tp -48.4 -57.09 6.56 Favored 'General case' 0 C--N 1.332 -0.174 0 CA-C-N 115.79 -0.641 . . . . 0.0 110.861 173.344 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 2.4 tm-20 -53.94 -43.74 70.07 Favored 'General case' 0 C--O 1.235 0.304 0 CA-C-N 116.11 -0.496 . . . . 0.0 110.618 178.333 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 68' ' ' GLN . . . . . 0.516 ' HB3' HG12 ' A' ' 82' ' ' ILE . 58.0 mt-30 -59.18 -62.58 1.78 Allowed 'General case' 0 C--N 1.321 -0.673 0 CA-C-N 115.799 -0.637 . . . . 0.0 111.359 -179.431 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 69' ' ' GLU . . . . . 0.545 ' HG3' ' O ' ' A' ' 65' ' ' LEU . 17.3 mt-10 -63.92 -41.94 97.52 Favored 'General case' 0 C--N 1.325 -0.498 0 CA-C-N 116.461 -0.336 . . . . 0.0 111.365 -174.092 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 70' ' ' MET . . . . . . . . . . . . . 59.0 ttp -58.56 -54.38 47.7 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.085 -0.507 . . . . 0.0 111.439 -176.229 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 71' ' ' VAL . . . . . 0.418 ' HB ' ' NZ ' ' A' ' 78' ' ' LYS . 96.3 t -64.04 -38.24 81.92 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.409 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.124 -178.177 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 72' ' ' SER . . . . . 0.599 ' OG ' ' HE2' ' A' ' 78' ' ' LYS . 68.4 m -73.35 -12.59 60.88 Favored 'General case' 0 C--N 1.327 -0.372 0 N-CA-C 111.939 0.348 . . . . 0.0 111.939 -178.524 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 73' ' ' PHE . . . . . . . . . . . . . 55.7 t80 -98.41 -44.94 6.32 Favored 'General case' 0 C--N 1.325 -0.481 0 C-N-CA 120.662 -0.415 . . . . 0.0 110.819 177.248 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 74' ' ' LEU . . . . . . . . . . . . . 97.0 mt -78.17 -49.6 13.52 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 116.335 -0.393 . . . . 0.0 111.565 -176.684 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 75' ' ' PHE . . . . . . . . . . . . . 20.3 m-30 -95.41 -11.16 28.11 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.884 0.373 . . . . 0.0 110.207 179.556 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 76' ' ' GLU . . . . . 0.557 ' HA ' ' O ' ' A' ' 72' ' ' SER . 50.2 mt-10 70.67 -75.56 0.07 Allowed 'General case' 0 N--CA 1.466 0.358 0 CA-C-N 115.252 -0.886 . . . . 0.0 112.479 177.562 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . -92.74 88.18 1.28 Allowed Glycine 0 N--CA 1.445 -0.72 0 C-N-CA 120.651 -0.785 . . . . 0.0 113.971 -168.147 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 78' ' ' LYS . . . . . 0.599 ' HE2' ' OG ' ' A' ' 72' ' ' SER . 0.0 OUTLIER -121.58 159.6 26.08 Favored 'General case' 0 C--N 1.328 -0.337 0 N-CA-C 109.649 -0.5 . . . . 0.0 109.649 170.672 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 79' ' ' ASP . . . . . . . . . . . . . 43.7 m-20 -89.77 -16.19 30.79 Favored 'General case' 0 C--N 1.326 -0.433 0 N-CA-C 113.636 0.976 . . . . 0.0 113.636 -165.357 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 80' ' ' VAL . . . . . 0.506 ' HB ' ' HE3' ' A' ' 78' ' ' LYS . 67.0 t -66.24 120.12 12.73 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.552 0 N-CA-C 110.01 -0.367 . . . . 0.0 110.01 177.179 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 81' ' ' HIS . . . . . . . . . . . . . 74.9 m-70 -77.47 132.49 38.46 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.083 -0.508 . . . . 0.0 111.309 -174.556 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 82' ' ' ILE . . . . . 0.516 HG12 ' HB3' ' A' ' 68' ' ' GLN . 11.9 mt -103.98 112.44 37.52 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.532 0 N-CA-C 109.654 -0.498 . . . . 0.0 109.654 177.979 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 5.9 mm-40 64.34 24.59 13.29 Favored 'General case' 0 N--CA 1.466 0.372 0 CA-C-O 121.196 0.522 . . . . 0.0 110.929 -179.406 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 84' ' ' GLY . . . . . . . . . . . . . . . -93.06 17.25 58.64 Favored Glycine 0 N--CA 1.447 -0.612 0 C-N-CA 120.969 -0.634 . . . . 0.0 111.989 179.719 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 85' ' ' TYR . . . . . . . . . . . . . 56.6 m-85 66.3 21.45 10.98 Favored 'General case' 0 N--CA 1.463 0.22 0 C-N-CA 123.058 0.543 . . . . 0.0 111.924 179.078 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 86' ' ' THR . . . . . 0.4 ' HA ' ' HD3' ' A' ' 87' ' ' PRO . 23.6 p -89.53 121.2 69.43 Favored Pre-proline 0 N--CA 1.448 -0.542 0 N-CA-C 108.962 -0.755 . . . . 0.0 108.962 170.301 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 87' ' ' PRO . . . . . 0.4 ' HD3' ' HA ' ' A' ' 86' ' ' THR . 8.1 Cg_exo -71.94 5.02 2.78 Favored 'Trans proline' 0 CA--C 1.528 0.213 0 C-N-CA 122.568 2.179 . . . . 0.0 113.137 -175.977 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 88' ' ' GLU . . . . . . . . . . . . . 19.2 mm-40 58.77 30.82 20.52 Favored 'General case' 0 C--O 1.233 0.219 0 CA-C-O 121.241 0.543 . . . . 0.0 110.011 -175.946 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 89' ' ' ASP . . . . . . . . . . . . . 1.6 p-10 -51.9 -70.49 0.09 Allowed 'General case' 0 C--O 1.232 0.161 0 CA-C-N 114.797 -1.092 . . . . 0.0 111.299 -178.511 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 54.8 tttp -95.15 -19.77 19.82 Favored 'General case' 0 C--N 1.326 -0.447 0 N-CA-C 109.086 -0.709 . . . . 0.0 109.086 172.524 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 91' ' ' LYS . . . . . . . . . . . . . 49.2 tttp . . . . . 0 C--O 1.248 1.02 0 CA-C-N 114.876 -1.056 . . . . 0.0 110.699 179.119 . . . . . . . . 0 0 . 1 . 020 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 16.4 tpt . . . . . 0 N--CA 1.478 0.962 0 N-CA-C 109.937 -0.394 . . . . 0.0 109.937 . . . . . . . . . 0 0 . 1 . 020 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 19.6 m -74.47 128.25 35.07 Favored 'General case' 0 C--N 1.324 -0.506 0 N-CA-C 109.8 -0.444 . . . . 0.0 109.8 178.809 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 3' ' ' ARG . . . . . . . . . . . . . 30.3 tpt180 -81.5 128.56 34.03 Favored 'General case' 0 C--N 1.324 -0.54 0 CA-C-O 121.089 0.471 . . . . 0.0 110.975 -176.606 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 4' ' ' THR . . . . . 0.43 ' HA ' ' O ' ' A' ' 14' ' ' ALA . 22.7 p -87.02 103.72 15.63 Favored 'General case' 0 C--N 1.324 -0.539 0 CA-C-N 115.506 -0.77 . . . . 0.0 110.798 177.494 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 5' ' ' ILE . . . . . . . . . . . . . 2.8 pp -103.34 170.02 1.89 Allowed 'Isoleucine or valine' 0 C--N 1.321 -0.64 0 CA-C-N 115.955 -0.566 . . . . 0.0 110.688 -179.69 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 6' ' ' PHE . . . . . . . . . . . . . 83.4 m-85 -100.77 98.32 8.86 Favored 'General case' 0 C--N 1.322 -0.626 0 CA-C-O 120.993 0.425 . . . . 0.0 110.097 178.731 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 7' ' ' CYS . . . . . 0.464 ' HA ' ' O ' ' A' ' 33' ' ' GLU . 53.0 t -65.6 134.17 52.72 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-N 115.727 -0.67 . . . . 0.0 111.08 -176.862 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 8.8 p -58.85 -47.86 83.4 Favored 'General case' 0 C--N 1.325 -0.485 0 CA-C-N 115.949 -0.569 . . . . 0.0 111.965 -179.333 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 9' ' ' TYR . . . . . . . . . . . . . 60.7 t80 -73.89 -37.43 64.69 Favored 'General case' 0 C--N 1.324 -0.528 0 CA-C-N 115.929 -0.578 . . . . 0.0 111.656 -174.863 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 93.7 mt -86.85 -28.4 22.9 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-N 116.569 -0.287 . . . . 0.0 111.756 -175.944 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 29.1 mm-40 59.86 36.25 21.9 Favored 'General case' 0 N--CA 1.466 0.325 0 CA-C-O 120.965 0.412 . . . . 0.0 111.185 -179.575 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 6.9 ptp180 -151.38 176.96 10.76 Favored 'General case' 0 C--N 1.324 -0.51 0 CA-C-N 116.005 -0.543 . . . . 0.0 109.909 -179.192 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 7.6 m-20 -66.02 124.72 23.34 Favored 'General case' 0 C--N 1.327 -0.407 0 O-C-N 123.669 0.606 . . . . 0.0 110.067 177.033 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 14' ' ' ALA . . . . . 0.435 ' HB1' ' HB2' ' A' ' 35' ' ' SER . . . -142.54 179.6 6.87 Favored 'General case' 0 C--N 1.318 -0.763 0 CA-C-N 116.408 -0.36 . . . . 0.0 110.664 -178.731 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 16.4 pt-20 -94.85 144.53 25.57 Favored 'General case' 0 C--N 1.322 -0.594 0 CA-C-N 116.722 -0.217 . . . . 0.0 110.439 -179.063 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . -63.17 105.61 1.08 Allowed Glycine 0 N--CA 1.451 -0.327 0 N-CA-C 110.113 -1.195 . . . . 0.0 110.113 168.665 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 17' ' ' GLN . . . . . 0.634 ' HG3' ' N ' ' A' ' 18' ' ' ASP . 12.0 pt20 -44.48 -57.59 3.48 Favored 'General case' 0 CA--C 1.53 0.209 0 N-CA-C 113.727 1.01 . . . . 0.0 113.727 -163.576 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 18' ' ' ASP . . . . . 0.634 ' N ' ' HG3' ' A' ' 17' ' ' GLN . 0.9 OUTLIER -162.34 -158.4 0.52 Allowed 'General case' 0 C--N 1.323 -0.556 0 C-N-CA 120.645 -0.422 . . . . 0.0 110.496 -171.287 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 54.4 m-85 -112.65 177.95 4.46 Favored 'General case' 0 C--N 1.322 -0.6 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.476 -177.486 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 51.5 mt-30 -86.94 120.06 27.82 Favored 'General case' 0 C--N 1.325 -0.459 0 CA-C-O 120.949 0.404 . . . . 0.0 110.353 178.394 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 4.3 mp -90.31 -55.13 3.72 Favored 'General case' 0 C--N 1.324 -0.517 0 CA-C-N 115.871 -0.604 . . . . 0.0 109.458 179.002 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 22' ' ' TYR . . . . . 0.671 ' H ' ' CD ' ' A' ' 23' ' ' PRO . 24.9 p90 -149.37 -33.74 0.0 OUTLIER Pre-proline 0 CA--C 1.54 0.593 0 N-CA-C 112.975 0.732 . . . . 0.0 112.975 177.074 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 23' ' ' PRO . . . . . 0.671 ' CD ' ' H ' ' A' ' 22' ' ' TYR . 52.8 Cg_exo -57.8 136.96 78.66 Favored 'Trans proline' 0 C--N 1.364 1.35 0 C-N-CA 121.234 1.289 . . . . 0.0 111.802 173.68 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -93.83 -114.33 2.45 Favored Glycine 0 N--CA 1.451 -0.358 0 C-N-CA 121.339 -0.458 . . . . 0.0 113.028 -171.085 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -64.08 -41.97 97.13 Favored 'General case' 0 C--N 1.332 -0.166 0 CA-C-O 120.629 0.252 . . . . 0.0 111.035 -175.321 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 63.0 tp -67.09 -35.21 79.29 Favored 'General case' 0 C--N 1.327 -0.396 0 N-CA-C 109.681 -0.489 . . . . 0.0 109.681 176.176 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 27' ' ' GLY . . . . . 0.519 ' HA3' ' HB2' ' A' ' 23' ' ' PRO . . . -62.41 -53.02 45.05 Favored Glycine 0 N--CA 1.445 -0.743 0 CA-C-N 115.561 -0.745 . . . . 0.0 111.718 176.509 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 48.0 tttm -54.98 -45.27 74.99 Favored 'General case' 0 N--CA 1.452 -0.365 0 O-C-N 123.738 0.316 . . . . 0.0 110.515 178.453 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 33.4 ttt180 -52.47 -39.36 61.08 Favored 'General case' 0 C--O 1.224 -0.249 0 CA-C-N 115.547 -0.752 . . . . 0.0 111.057 179.835 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 30' ' ' ILE . . . . . . . . . . . . . 76.0 mt -78.43 -46.11 25.51 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.626 0 CA-C-N 116.701 -0.227 . . . . 0.0 111.397 179.582 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 31' ' ' TYR . . . . . 0.41 ' O ' ' HG2' ' A' ' 17' ' ' GLN . 22.6 m-85 -60.47 -30.64 69.8 Favored 'General case' 0 CA--C 1.533 0.289 0 N-CA-C 113.049 0.759 . . . . 0.0 113.049 -172.02 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 32' ' ' ASN . . . . . 0.436 ' C ' HD22 ' A' ' 32' ' ' ASN . 0.4 OUTLIER -103.61 0.23 30.5 Favored 'General case' 0 C--N 1.329 -0.316 0 N-CA-C 112.694 0.628 . . . . 0.0 112.694 -177.342 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 33' ' ' GLU . . . . . 0.464 ' O ' ' HA ' ' A' ' 7' ' ' CYS . 52.5 mm-40 -112.34 -15.39 13.15 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-O 121.158 0.504 . . . . 0.0 110.562 176.126 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 34' ' ' ILE . . . . . 0.415 HD13 ' SG ' ' A' ' 7' ' ' CYS . 1.6 mm -113.58 136.15 50.9 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.541 0 CA-C-O 121.396 0.617 . . . . 0.0 111.255 179.66 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 35' ' ' SER . . . . . 0.435 ' HB2' ' HB1' ' A' ' 14' ' ' ALA . 43.4 t -82.43 151.46 26.57 Favored 'General case' 0 N--CA 1.448 -0.572 0 CA-C-N 115.316 -0.856 . . . . 0.0 109.868 176.62 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 36' ' ' LYS . . . . . 0.431 ' HE3' ' O ' ' A' ' 17' ' ' GLN . 4.7 tppp? -57.79 -28.25 63.84 Favored 'General case' 0 C--N 1.324 -0.527 0 CA-C-N 115.961 -0.563 . . . . 0.0 110.226 178.099 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 22.3 t70 -61.05 -53.27 59.23 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-O 120.995 0.426 . . . . 0.0 110.431 176.348 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -68.56 -36.34 78.63 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.076 -0.511 . . . . 0.0 110.645 -179.718 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 39' ' ' TRP . . . . . 0.46 ' O ' ' HG3' ' A' ' 43' ' ' GLN . 76.2 t-105 -61.03 -40.78 94.9 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 115.828 -0.624 . . . . 0.0 110.342 176.829 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -72.43 -45.61 58.83 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 115.967 -0.561 . . . . 0.0 110.983 178.592 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 15.6 mm100 -59.2 -39.71 83.47 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.079 -0.509 . . . . 0.0 111.272 179.445 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 42' ' ' TRP . . . . . . . . . . . . . 38.2 t-105 -63.03 -56.66 15.05 Favored 'General case' 0 C--O 1.22 -0.451 0 C-N-CA 120.828 -0.349 . . . . 0.0 110.916 177.918 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 43' ' ' GLN . . . . . 0.46 ' HG3' ' O ' ' A' ' 39' ' ' TRP . 39.1 mt-30 -61.83 -30.91 71.15 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-O 120.859 0.361 . . . . 0.0 111.093 -175.891 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 44' ' ' HIS . . . . . . . . . . . . . 47.8 t-80 -62.45 -49.38 75.65 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-N 115.797 -0.638 . . . . 0.0 110.025 177.291 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 45' ' ' LYS . . . . . 0.681 ' O ' ' HG ' ' A' ' 49' ' ' LEU . 4.2 tppp? -70.87 -37.75 73.06 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-N 115.809 -0.632 . . . . 0.0 110.299 179.179 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 46' ' ' GLN . . . . . 0.485 ' O ' HG13 ' A' ' 50' ' ' ILE . 16.0 tt0 -55.43 -53.84 51.23 Favored 'General case' 0 C--N 1.326 -0.413 0 CA-C-N 115.646 -0.706 . . . . 0.0 110.332 178.978 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 27.4 m -59.33 -39.9 84.61 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-N 115.801 -0.636 . . . . 0.0 110.426 178.837 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 48' ' ' MET . . . . . . . . . . . . . 13.6 tpt -70.64 -14.27 62.41 Favored 'General case' 0 CA--C 1.532 0.271 0 CA-C-O 121.262 0.553 . . . . 0.0 111.155 -178.402 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 49' ' ' LEU . . . . . 0.681 ' HG ' ' O ' ' A' ' 45' ' ' LYS . 83.2 mt -86.52 -44.16 12.17 Favored 'General case' 0 C--N 1.322 -0.604 0 N-CA-C 109.315 -0.624 . . . . 0.0 109.315 172.611 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 50' ' ' ILE . . . . . 0.485 HG13 ' O ' ' A' ' 46' ' ' GLN . 67.5 mt -64.18 -51.77 64.5 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.516 0 CA-C-N 115.185 -0.916 . . . . 0.0 111.814 -177.584 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 51' ' ' ASN . . . . . . . . . . . . . 36.0 p-10 -73.97 -19.22 60.73 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.855 -171.741 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 11.5 mm-40 -93.14 -42.6 9.3 Favored 'General case' 0 C--N 1.324 -0.513 0 CA-C-O 120.859 0.361 . . . . 0.0 111.043 179.89 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 56.7 mttp -79.53 -19.68 48.97 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.77 -179.78 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 56.2 mtpt 60.11 40.57 18.22 Favored 'General case' 0 N--CA 1.461 0.12 0 CA-C-N 115.73 -0.668 . . . . 0.0 110.912 175.351 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 55' ' ' LEU . . . . . 0.515 ' O ' HD12 ' A' ' 55' ' ' LEU . 2.4 pp -98.63 143.42 29.04 Favored 'General case' 0 C--N 1.323 -0.552 0 CA-C-N 116.002 -0.544 . . . . 0.0 111.138 -177.906 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 56' ' ' ASN . . . . . . . . . . . . . 16.9 p30 -95.32 137.03 34.94 Favored 'General case' 0 C--N 1.323 -0.577 0 CA-C-N 115.98 -0.555 . . . . 0.0 110.174 176.825 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 57' ' ' MET . . . . . 0.487 ' O ' ' HG2' ' A' ' 63' ' ' ARG . 15.1 ptp -109.86 15.11 22.88 Favored 'General case' 0 C--N 1.315 -0.896 0 O-C-N 122.109 -0.369 . . . . 0.0 111.34 -175.299 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 58' ' ' MET . . . . . . . . . . . . . 71.9 mtm -75.09 -19.93 59.73 Favored 'General case' 0 C--N 1.325 -0.475 0 N-CA-C 108.437 -0.949 . . . . 0.0 108.437 168.417 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 59' ' ' ASN . . . . . . . . . . . . . 3.9 m-20 -71.09 136.52 48.28 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 114.608 -1.178 . . . . 0.0 109.281 171.169 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -58.45 -41.23 84.66 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-O 120.77 0.319 . . . . 0.0 111.818 -175.669 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 27.4 mm-40 -62.76 -40.35 96.97 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 116.091 -0.504 . . . . 0.0 111.642 -178.083 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 62' ' ' HIS . . . . . . . . . . . . . 39.0 m170 -79.28 -26.48 42.32 Favored 'General case' 0 C--N 1.324 -0.516 0 CA-C-N 116.475 -0.33 . . . . 0.0 111.13 -177.581 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 63' ' ' ARG . . . . . 0.487 ' HG2' ' O ' ' A' ' 57' ' ' MET . 0.0 OUTLIER -68.17 -52.01 39.31 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-O 120.9 0.381 . . . . 0.0 110.1 178.379 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 63.9 pttt -68.35 -27.69 66.48 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 115.907 -0.588 . . . . 0.0 110.445 -178.795 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 65' ' ' LEU . . . . . 0.425 HD22 ' HA ' ' A' ' 65' ' ' LEU . 1.1 tm? -59.57 -54.66 43.91 Favored 'General case' 0 C--N 1.329 -0.29 0 N-CA-C 109.641 -0.504 . . . . 0.0 109.641 178.069 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 66' ' ' LEU . . . . . 0.421 HD23 ' C ' ' A' ' 66' ' ' LEU . 7.2 tt -56.12 -52.05 65.72 Favored 'General case' 0 C--O 1.226 -0.179 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.104 177.653 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 67' ' ' GLU . . . . . 0.457 ' O ' HG23 ' A' ' 71' ' ' VAL . 42.7 tt0 -51.93 -54.06 33.87 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 115.782 -0.645 . . . . 0.0 111.522 -179.64 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 68' ' ' GLN . . . . . . . . . . . . . 21.1 mt-30 -66.09 -41.67 90.37 Favored 'General case' 0 C--N 1.325 -0.481 0 CA-C-N 116.323 -0.399 . . . . 0.0 111.62 -177.938 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 6.4 tp10 -64.09 -36.4 83.89 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-O 121.246 0.546 . . . . 0.0 110.004 179.504 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 70' ' ' MET . . . . . . . . . . . . . 58.3 ttp -62.27 -47.71 83.13 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 115.487 -0.779 . . . . 0.0 110.511 178.228 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 71' ' ' VAL . . . . . 0.457 HG23 ' O ' ' A' ' 67' ' ' GLU . 55.8 t -60.44 -37.55 75.0 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.415 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.26 178.474 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 72' ' ' SER . . . . . 0.487 ' O ' ' HA ' ' A' ' 76' ' ' GLU . 16.5 m -69.15 -26.65 64.98 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 115.997 -0.547 . . . . 0.0 111.576 -178.234 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 73' ' ' PHE . . . . . . . . . . . . . 43.5 t80 -92.23 -36.21 13.38 Favored 'General case' 0 C--N 1.326 -0.455 0 CA-C-O 120.743 0.306 . . . . 0.0 111.106 -177.894 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 74' ' ' LEU . . . . . . . . . . . . . 10.9 mp -88.74 -40.99 12.83 Favored 'General case' 0 C--N 1.324 -0.506 0 N-CA-C 112.029 0.381 . . . . 0.0 112.029 -176.086 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 75' ' ' PHE . . . . . . . . . . . . . 57.4 t80 -108.64 -24.78 11.2 Favored 'General case' 0 C--N 1.325 -0.469 0 CA-C-N 116.502 -0.317 . . . . 0.0 110.763 -175.713 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 76' ' ' GLU . . . . . 0.487 ' HA ' ' O ' ' A' ' 72' ' ' SER . 48.9 mt-10 72.79 -55.89 0.67 Allowed 'General case' 0 N--CA 1.468 0.465 0 C-N-CA 123.764 0.826 . . . . 0.0 112.049 177.566 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . -82.16 84.64 1.49 Allowed Glycine 0 N--CA 1.45 -0.43 0 C-N-CA 120.951 -0.642 . . . . 0.0 113.008 -176.055 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -111.29 176.08 5.17 Favored 'General case' 0 C--N 1.323 -0.55 0 CA-C-O 120.722 0.296 . . . . 0.0 110.923 177.671 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 79' ' ' ASP . . . . . . . . . . . . . 25.8 m-20 -99.45 -45.13 5.93 Favored 'General case' 0 C--N 1.324 -0.503 0 CA-C-N 116.47 -0.332 . . . . 0.0 111.554 -176.223 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 80' ' ' VAL . . . . . . . . . . . . . 36.1 t -65.34 130.08 30.21 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.442 0 CA-C-O 121.463 0.649 . . . . 0.0 112.02 -170.729 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 81' ' ' HIS . . . . . . . . . . . . . 7.8 t-160 -80.16 102.54 9.46 Favored 'General case' 0 C--N 1.323 -0.583 0 CA-C-N 115.222 -0.899 . . . . 0.0 109.135 176.477 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 82' ' ' ILE . . . . . 0.412 HG22 ' HG2' ' A' ' 83' ' ' GLU . 51.1 mt -80.61 127.2 39.62 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.521 0 CA-C-N 116.322 -0.399 . . . . 0.0 111.091 -173.384 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 83' ' ' GLU . . . . . 0.412 ' HG2' HG22 ' A' ' 82' ' ' ILE . 10.1 mm-40 65.78 11.66 7.75 Favored 'General case' 0 N--CA 1.467 0.386 0 CA-C-N 115.743 -0.662 . . . . 0.0 112.021 176.764 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 84' ' ' GLY . . . . . . . . . . . . . . . -134.6 106.37 0.6 Allowed Glycine 0 N--CA 1.447 -0.577 0 N-CA-C 111.243 -0.743 . . . . 0.0 111.243 179.098 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 85' ' ' TYR . . . . . . . . . . . . . 45.5 m-85 -127.76 124.34 37.49 Favored 'General case' 0 C--N 1.322 -0.615 0 CA-C-N 116.842 0.321 . . . . 0.0 110.316 -175.954 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 86' ' ' THR . . . . . . . . . . . . . 12.2 p -97.91 118.46 63.86 Favored Pre-proline 0 C--N 1.322 -0.628 0 CA-C-N 115.986 -0.552 . . . . 0.0 111.588 -178.075 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 87' ' ' PRO . . . . . . . . . . . . . 21.4 Cg_exo -67.05 -34.01 30.14 Favored 'Trans proline' 0 C--N 1.345 0.376 0 C-N-CA 122.606 2.204 . . . . 0.0 110.188 170.362 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 88' ' ' GLU . . . . . . . . . . . . . 37.3 mt-10 -97.52 93.02 6.21 Favored 'General case' 0 N--CA 1.448 -0.542 0 CA-C-N 115.027 -0.988 . . . . 0.0 109.151 174.838 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 89' ' ' ASP . . . . . . . . . . . . . 5.0 p-10 -102.25 -6.46 23.13 Favored 'General case' 0 C--N 1.325 -0.474 0 CA-C-N 116.316 -0.402 . . . . 0.0 110.717 -174.528 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 37.3 mtmm -137.86 150.15 46.89 Favored 'General case' 0 C--N 1.323 -0.573 0 CA-C-N 115.898 -0.592 . . . . 0.0 109.839 179.302 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 91' ' ' LYS . . . . . . . . . . . . . 65.7 mttm . . . . . 0 C--O 1.25 1.121 0 CA-C-O 118.755 -0.64 . . . . 0.0 110.079 179.864 . . . . . . . . 0 0 . 1 stop_ save_